Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.32 L 0.31 G 0.2 D 0.05 F 0.04 Y 0.02 K 0.01 C Shift Assignments>> CA :: 43.87(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.85(D) HA3 :: 3.85(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.45 CA :: 58.48(D) CB :: 64.02(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.55(D) HB2 :: 3.86(D) HB3 :: 3.86(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.06 Ave N Shift Values>> N :: 116.28(3.52) 1.H3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> H 0.52 W 0.47 C Shift Assignments>> C :: 174.03 CA :: 55.47(D) CB :: 31.66(D) CD2 :: 120.48(D) CE1 :: 138.43(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.86(D) HB2 :: 3.08(D) HB3 :: 2.92(D) HD2 :: 7.02(D) HE1 :: 7.99(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.26 ND1 :: 197.40 NE2 :: 187.11 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.93 M 0.05 HN Overlap>> 1.A68 1.A68 C Shift Assignments>> C :: 177.53(D) CA :: 51.70(D) CB :: 19.47(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.19 HA :: 4.05(D) HB1 :: 0.79(D) HB2 :: 0.79(D) HB3 :: 0.79(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.65 Ave N Shift Values>> N :: 123.23(3.54) 1.K5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> K 0.82 R 0.16 G 0.01 C Shift Assignments>> C :: 175.85(D) CA :: 57.11(D) CB :: 33.05(D) CG :: 24.74(D) CD :: 29.19(D) CE :: 42.06 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.44 HA :: 4.16(D) HB2 :: 1.72(D) HB3 :: 1.77(D) HG2 :: 1.40(D) HG3 :: 1.37(D) HD2 :: 1.62(D) HD3 :: 1.62(D) HE2 :: 2.93 HE3 :: 2.93 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.22 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> D 0.36 L 0.22 N 0.15 F 0.08 K 0.08 Y 0.06 C Shift Assignments>> C :: 175.03(D) CA :: 53.78(D) CB :: 41.02(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.02 HA :: 4.53(D) HB2 :: 2.97(D) HB3 :: 2.79(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.65 Ave N Shift Values>> N :: 120.65(3.86) 1.A7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.92 M 0.06 C Shift Assignments>> C :: 178.43(D) CA :: 51.98(D) CB :: 19.43(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.45 HA :: 4.36(D) HB1 :: 1.19(D) HB2 :: 1.19(D) HB3 :: 1.19(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.53 Ave N Shift Values>> N :: 123.23(3.54) 1.S8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.89(D) CA :: 62.04(D) CB :: 62.72(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.62 HA :: 4.15(D) HB2 :: 3.87(D) HB3 :: 3.87(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.01 Ave N Shift Values>> N :: 116.28(3.52) 1.W9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 174.24 CA :: 58.35(D) CB :: 26.75(D) CD1 :: 129.19(D) CE3 :: 122.34(D) CZ2 :: 116.94(D) CZ3 :: 122.00(D) CH2 :: 123.40(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.55 HA :: 4.35(D) HB2 :: 3.79(D) HB3 :: 3.21(D) HD1 :: 7.78(D) HE1 :: 10.38 HE3 :: 7.74(D) HZ2 :: 7.91(D) HZ3 :: 7.12(D) HH2 :: 7.40(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.59 NE1 :: 130.88 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.96 A 0.01 R 0.01 C Shift Assignments>> C :: 176.65(D) CA :: 55.57(D) CB :: 41.48(D) CG :: 25.48(D) CD1 :: 25.83(D) CD2 :: 23.87(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.52 HA :: 3.75(D) HB2 :: 0.64(D) HB3 :: -1.21(S) HG :: 0.10(S) HD11 :: 0.25(D) HD12 :: 0.25(D) HD13 :: 0.25(D) HD21 :: 0.51(D) HD22 :: 0.51(D) HD23 :: 0.51(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.72 Ave N Shift Values>> N :: 121.86(3.9) 1.T11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.20(D) CA :: 63.81(D) CB :: 68.66(D) CG2 :: 22.18(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.60 HA :: 3.35(D) HB :: 4.34(D) HG21 :: 0.90(D) HG22 :: 0.90(D) HG23 :: 0.90(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 102.66 Ave N Shift Values>> N :: 115.42(4.75) 1.S12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.01(D) CA :: 59.35(D) CB :: 63.69(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.79 HA :: 4.49(D) HB2 :: 4.02(D) HB3 :: 4.02(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.33 Ave N Shift Values>> N :: 116.28(3.52) 1.R13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.79 K 0.13 G 0.06 C Shift Assignments>> C :: 175.42(D) CA :: 54.05(D) CB :: 30.83(D) CG :: 27.30(D) CD :: 42.95(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.35 HA :: 4.44(D) HB2 :: 2.66(D) HB3 :: 2.35(D) HG2 :: 1.95(D) HG3 :: 1.84(D) HD2 :: 3.49(D) HD3 :: 3.43(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.09 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> K 0.76 R 0.22 G 0.01 C Shift Assignments>> C :: 176.28(D) CA :: 57.08(D) CB :: 33.18(D) CG :: 24.98(D) CD :: 29.27(D) CE :: 42.32 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.63 HA :: 4.18(D) HB2 :: 1.88(D) HB3 :: 1.82(D) HG2 :: 1.46(D) HG3 :: 1.29(D) HD2 :: 1.73(D) HD3 :: 1.70(D) HE2 :: 3.00 HE3 :: 3.00 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.09 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> E 0.45 Q 0.22 K 0.2 M 0.09 I 0.01 C Shift Assignments>> C :: 176.06(D) CA :: 55.61(D) CB :: 29.65(D) CG :: 35.56(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.96 HA :: 4.18(D) HB2 :: 2.04(D) HB3 :: 1.78(D) HG2 :: 1.59(D) HG3 :: 1.55(D) HE21 :: 6.61 HE22 :: 7.06 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 127.42 NE2 :: 109.36 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.49 G 0.42 A 0.04 R 0.03 C Shift Assignments>> C :: 177.66(D) CA :: 56.18(D) CB :: 44.43(D) CG :: 26.85(D) CD1 :: 22.37(D) CD2 :: 24.93(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.49 HA :: 4.28(D) HB2 :: 1.60(D) HB3 :: 1.42(D) HG :: 1.64(D) HD11 :: 0.83(D) HD12 :: 0.83(D) HD13 :: 0.83(D) HD21 :: 0.81(D) HD22 :: 0.81(D) HD23 :: 0.81(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.15 Ave N Shift Values>> N :: 121.86(3.9) 1.Q17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.31 P 0.2 Q 0.17 K 0.12 H 0.06 R 0.05 W 0.03 N 0.01 C Shift Assignments>> C :: 173.56(D) CA :: 51.83(D) CG :: 33.63 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.03 HA :: 4.97(D) HB2 :: 2.15 HB3 :: 1.87 HG2 :: 2.16 HG3 :: 2.16 HE21 :: 7.23 HE22 :: 6.93 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 112.81 NE2 :: 107.46 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 175.75(D) CA :: 61.33(D) CB :: 33.52(D) CG :: 25.54(D) CD :: 50.25(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.71(D) HB2 :: 2.17(D) HB3 :: 2.17(D) HG2 :: 1.78(D) HG3 :: 2.05(D) HD2 :: 3.54(D) HD3 :: 3.23(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 135.06 Ave N Shift Values>> N :: 134.16(6.62) 1.Y19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.11(D) CA :: 59.56(D) CB :: 38.79(D) CE1 :: 117.55(D) CE2 :: 117.55(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.77 HA :: 4.22(D) HB2 :: 2.56(D) HB3 :: 2.49(D) HD1 :: 6.58 HD2 :: 6.58 HE1 :: 6.68(D) HE2 :: 6.68(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.72 Ave N Shift Values>> N :: 120.52(4.2) 1.G20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.96(D) CA :: 46.40(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.62 HA2 :: 2.62(S) HA3 :: 4.21(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.03 Ave N Shift Values>> N :: 109.67(3.87) 1.Q21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.75 Q 0.19 E 0.05 C Shift Assignments>> C :: 175.10(D) CA :: 54.40(D) CB :: 32.61(D) CG :: 33.91(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.18 HA :: 4.80(D) HB2 :: 1.70(D) HB3 :: 1.93(D) HG2 :: 2.22(D) HG3 :: 2.17(D) HE21 :: 7.40 HE22 :: 6.83 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.82 NE2 :: 112.13 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.77(D) CA :: 58.39(D) CB :: 38.37(D) CD1 :: 131.86(D) CD2 :: 131.86(D) CE1 :: 117.96(D) CE2 :: 117.96(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.16 HA :: 4.34(D) HB2 :: 2.90(D) HB3 :: 2.46(D) HD1 :: 6.61(D) HD2 :: 6.61(D) HE1 :: 6.39(D) HE2 :: 6.39(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.75 Ave N Shift Values>> N :: 120.52(4.2) 1.H23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> W 0.55 H 0.44 C Shift Assignments>> C :: 178.37 CA :: 59.37(D) CB :: 30.04 CD2 :: 120.39(D) CE1 :: 138.84(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.76 HA :: 4.50(D) HB2 :: 3.17 HB3 :: 3.09 HD2 :: 7.29(D) HE1 :: 7.87(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.91 NE2 :: 174.61 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 174.68(D) CA :: 45.37(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.99(D) HA3 :: 3.99(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.G25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.4 L 0.28 R 0.2 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.46(D) CA :: 44.27(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.95 HA2 :: 4.49(D) HA3 :: 3.71(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.44 Ave N Shift Values>> N :: 109.67(3.87) 1.G26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.31 G 0.27 R 0.27 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 172.59(D) CA :: 44.03(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.17 HA2 :: 3.73(D) HA3 :: 4.43(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.99 Ave N Shift Values>> N :: 109.67(3.87) 1.A27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.83 M 0.15 C Shift Assignments>> C :: 176.12(D) CA :: 53.37(D) CB :: 19.27(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.23 HA :: 3.97(D) HB1 :: 1.07(D) HB2 :: 1.07(D) HB3 :: 1.07(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.01 Ave N Shift Values>> N :: 123.23(3.54) 1.H28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.61 H 0.38 C Shift Assignments>> C :: 174.69(D) CA :: 52.94(D) CB :: 30.95(D) CD2 :: 125.41(D) CE1 :: 139.45(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 6.96 HA :: 4.40(D) HB2 :: 2.09(D) HB3 :: 1.25(S) HD2 :: 7.44(D) HE1 :: 7.01(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.34 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.04(D) CA :: 59.53(D) CB :: 37.57(D) CD1 :: 133.40(D) CD2 :: 133.40(D) CE1 :: 117.91(D) CE2 :: 117.91(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.14 HA :: 4.18(D) HB2 :: 3.29(D) HB3 :: 2.59(D) HD1 :: 7.13(D) HD2 :: 7.13(D) HE1 :: 6.68(D) HE2 :: 6.68(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 126.80 Ave N Shift Values>> N :: 120.52(4.2) 1.G30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.37 L 0.29 R 0.21 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 168.17 CA :: 44.21(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 5.73(S) HA2 :: 2.99(D) HA3 :: 4.33(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.74 Ave N Shift Values>> N :: 109.67(3.87) 1.V31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.41(D) CA :: 59.44(D) CB :: 35.71(D) CG1 :: 21.84(D) CG2 :: 21.32(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.41 HA :: 4.45(D) HB :: 1.84(D) HG11 :: 1.01(D) HG12 :: 1.01(D) HG13 :: 1.01(D) HG21 :: 1.03(D) HG22 :: 1.03(D) HG23 :: 1.03(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 112.48 Ave N Shift Values>> N :: 121.14(4.54) 1.D32 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Anomalous N Shifts: Consistent PRTL>> G 0.39 L 0.27 R 0.14 D 0.13 F 0.01 N 0.01 HN Overlap>> 1.V63 1.V63 C Shift Assignments>> C :: 175.56(D) CA :: 52.02(D) CB :: 43.80(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.08 HA :: 6.54(A) HB2 :: 2.78(D) HB3 :: 2.52(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.37 Ave N Shift Values>> N :: 120.65(3.86) 1.Y33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.97 G 0.02 C Shift Assignments>> C :: 175.59(D) CA :: 57.62(D) CB :: 42.25(D) CD1 :: 133.54(D) CD2 :: 133.54(D) CE1 :: 118.22(D) CE2 :: 118.22(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.13 HA :: 5.27(D) HB2 :: 2.93(D) HB3 :: 2.57(D) HD1 :: 6.81(D) HD2 :: 6.81(D) HE1 :: 6.67 HE2 :: 6.67 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.21 Ave N Shift Values>> N :: 120.52(4.2) 1.A34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.88 M 0.09 L 0.01 C Shift Assignments>> C :: 176.15(D) CA :: 53.10(D) CB :: 19.69(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.14 HA :: 4.42(D) HB1 :: 1.61(D) HB2 :: 1.61(D) HB3 :: 1.61(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.43 Ave N Shift Values>> N :: 123.23(3.54) 1.M35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.52 M 0.47 C Shift Assignments>> C :: 172.61(D) CA :: 53.60(D) CB :: 34.47(D) CG :: 31.33(D) CE :: 17.74(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.41 HA :: 5.09(D) HB2 :: 2.31(D) HB3 :: 2.09(D) HG2 :: 2.62(D) HG3 :: 2.57(D) HE1 :: 2.42(D) HE2 :: 2.42(D) HE3 :: 2.42(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.83 Ave N Shift Values>> N :: 120.09(3.57) 1.P36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 176.91(D) CA :: 62.45(D) CB :: 32.02(D) CG :: 27.66(D) CD :: 50.81(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.43(D) HB2 :: 2.41(D) HB3 :: 1.77(D) HG2 :: 2.10(D) HG3 :: 2.05(D) HD2 :: 3.92(D) HD3 :: 3.66(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 137.74 Ave N Shift Values>> N :: 134.16(6.62) 1.E37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> E 0.62 I 0.27 M 0.06 K 0.02 C Shift Assignments>> C :: 176.32(D) CA :: 58.74(D) CB :: 30.29(D) CG :: 37.42(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.95 HA :: 3.94(D) HB2 :: 1.96(D) HB3 :: 1.96(D) HG2 :: 2.39(D) HG3 :: 2.16(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.18 Ave N Shift Values>> N :: 120.67(3.48) 1.N38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> E 0.34 Y 0.15 N 0.14 M 0.13 F 0.1 K 0.04 I 0.02 D 0.01 Q 0.01 C Shift Assignments>> C :: 174.80(D) CA :: 55.67(D) CB :: 36.70(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.00 HA :: 4.58(D) HB2 :: 3.19(D) HB3 :: 3.05(D) HD21 :: 7.12 HD22 :: 7.66 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.07 ND2 :: 115.69 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.23(D) CA :: 58.51(D) CB :: 62.54(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.73 HA :: 4.83(D) HB2 :: 4.10(D) HB3 :: 3.95(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.55 Ave N Shift Values>> N :: 116.28(3.52) 1.P40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 173.04(D) CA :: 64.00(D) CB :: 31.94(D) CG :: 28.52(D) CD :: 50.02(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.71(D) HB2 :: 1.34(D) HB3 :: 1.18(D) HG2 :: 2.12(D) HG3 :: 1.88(D) HD2 :: 3.99(D) HD3 :: 3.78(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 138.55 Ave N Shift Values>> N :: 134.16(6.62) 1.V41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.51(D) CA :: 60.55(D) CB :: 34.56(D) CG1 :: 20.99(D) CG2 :: 21.03(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.26 HA :: 3.32(D) HB :: 1.25(D) HG11 :: 0.98(D) HG12 :: 0.98(D) HG13 :: 0.98(D) HG21 :: 0.95(D) HG22 :: 0.95(D) HG23 :: 0.95(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.64 Ave N Shift Values>> N :: 121.14(4.54) 1.Y42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.42(D) CA :: 54.90(D) CB :: 40.04(D) CD1 :: 133.35(D) CD2 :: 133.35(D) CE1 :: 116.62(D) CE2 :: 116.62(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 5.04(S) HA :: 4.76(D) HB2 :: 2.23(D) HB3 :: 1.72(D) HD1 :: 5.45(S) HD2 :: 5.45(S) HE1 :: 6.23(D) HE2 :: 6.23(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.88 Ave N Shift Values>> N :: 120.52(4.2) 1.S43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.72(D) CA :: 58.51(D) CB :: 62.90(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.69 HA :: 4.20(D) HB2 :: 4.00(D) HB3 :: 3.58(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 108.56 Ave N Shift Values>> N :: 116.28(3.52) 1.L44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.57 R 0.37 G 0.03 C Shift Assignments>> C :: 175.42(D) CA :: 56.07(D) CB :: 42.73(D) CG :: 27.79(D) CD1 :: 26.52(D) CD2 :: 24.15(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.94 HA :: 4.62(D) HB2 :: 2.05(D) HB3 :: 1.78(D) HG :: 2.21(D) HD11 :: 0.47(D) HD12 :: 0.47(D) HD13 :: 0.47(D) HD21 :: 0.99(D) HD22 :: 0.99(D) HD23 :: 0.99(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.05 Ave N Shift Values>> N :: 121.86(3.9) 1.T45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.96 A 0.03 C Shift Assignments>> C :: 172.14(D) CA :: 59.43(D) CB :: 71.70(D) CG2 :: 19.72(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.23 HA :: 4.94(D) HB :: 3.79(D) HG21 :: 0.93(D) HG22 :: 0.93(D) HG23 :: 0.93(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.55 Ave N Shift Values>> N :: 115.42(4.75) 1.D46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> D 0.33 N 0.22 L 0.16 F 0.12 Y 0.1 K 0.02 C Shift Assignments>> C :: 178.77(D) CA :: 54.30(D) CB :: 40.24(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.00 HA :: 5.16(D) HB2 :: 2.71(D) HB3 :: 2.79(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.53 Ave N Shift Values>> N :: 120.65(3.86) 1.G47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 171.40(D) CA :: 47.03(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.11 HA2 :: 4.06(D) HA3 :: 4.72(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.28 Ave N Shift Values>> N :: 109.67(3.87) 1.T48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.47(D) CA :: 61.17(D) CB :: 71.97(D) CG2 :: 21.60(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.30 HA :: 5.03(D) HB :: 3.84(D) HG21 :: 1.11(D) HG22 :: 1.11(D) HG23 :: 1.11(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.95 Ave N Shift Values>> N :: 115.42(4.75) 1.V49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.87(D) CA :: 62.94(D) CB :: 31.03(D) CG1 :: 21.51(D) CG2 :: 22.84(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.63 HA :: 4.30(D) HB :: 2.48(D) HG11 :: 0.89(D) HG12 :: 0.89(D) HG13 :: 0.89(D) HG21 :: 0.77(D) HG22 :: 0.77(D) HG23 :: 0.77(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.84 Ave N Shift Values>> N :: 121.14(4.54) 1.V50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.64(D) CA :: 62.07(D) CB :: 32.77(D) CG1 :: 22.03(D) CG2 :: 20.53(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.79 HA :: 4.58(D) HB :: 2.29(D) HG11 :: 1.08(D) HG12 :: 1.08(D) HG13 :: 1.08(D) HG21 :: 1.04(D) HG22 :: 1.04(D) HG23 :: 1.04(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.60 Ave N Shift Values>> N :: 121.14(4.54) 1.Q51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Q 0.35 M 0.3 K 0.29 R 0.02 E 0.01 C Shift Assignments>> C :: 172.64(D) CA :: 55.85(D) CB :: 30.35(D) CG :: 32.76(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.79 HA :: 4.46(D) HB2 :: 2.23(D) HB3 :: 2.00(D) HG2 :: 2.42(D) HG3 :: 2.42(D) HE21 :: 5.97 HE22 :: 7.60 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.82 NE2 :: 110.86 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.92 L 0.03 M 0.03 C Shift Assignments>> C :: 174.48(D) CA :: 52.25(D) CB :: 20.37(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.11 HA :: 5.16(D) HB1 :: 1.32(D) HB2 :: 1.32(D) HB3 :: 1.32(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.93 Ave N Shift Values>> N :: 123.23(3.54) 1.G53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.7 L 0.18 R 0.05 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.07(D) CA :: 44.83(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.62 HA2 :: 4.04(D) HA3 :: 4.53(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.17 Ave N Shift Values>> N :: 109.67(3.87) 1.W54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.56(D) CA :: 58.21(D) CB :: 29.55(D) CD1 :: 127.75(D) CE3 :: 121.37(D) CZ2 :: 114.60(D) CZ3 :: 121.28(D) CH2 :: 123.93(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.85 HA :: 4.44(D) HB2 :: 3.23(D) HB3 :: 3.04(D) HD1 :: 6.92(D) HE1 :: 9.97 HE3 :: 7.56(D) HZ2 :: 7.51(D) HZ3 :: 7.05(D) HH2 :: 7.32(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.61 NE1 :: 129.87 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.25(D) CA :: 55.60(D) CB :: 63.90(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.90 HA :: 4.40(D) HB2 :: 3.19(D) HB3 :: 3.42(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.60 Ave N Shift Values>> N :: 116.28(3.52) 1.N56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> N 0.5 D 0.16 Y 0.12 F 0.11 L 0.04 E 0.02 M 0.01 C Shift Assignments>> C :: 175.29(D) CA :: 53.96(D) CB :: 38.46(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.70(D) HB2 :: 2.65(D) HB3 :: 2.26(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) 1.Y57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.64(D) CA :: 57.68(D) CB :: 38.16(D) CD1 :: 133.19(D) CD2 :: 133.19(D) CE1 :: 118.34(D) CE2 :: 118.34(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.70 HA :: 4.64(D) HB2 :: 3.30(D) HB3 :: 2.41(D) HD1 :: 7.03(D) HD2 :: 7.03(D) HE1 :: 6.83(D) HE2 :: 6.83(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.92 Ave N Shift Values>> N :: 120.52(4.2) 1.G58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 175.77 CA :: 45.88(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.53 HA2 :: 3.55(D) HA3 :: 4.47(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.19 Ave N Shift Values>> N :: 109.67(3.87) 1.G59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 173.12 CA :: 45.78(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.63 HA2 :: 3.55(D) HA3 :: 3.35(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.37 Ave N Shift Values>> N :: 109.67(3.87) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.63 L 0.21 R 0.08 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.68 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.94 HA3 :: 3.63 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.N61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.46 Y 0.14 F 0.11 E 0.09 D 0.07 M 0.05 L 0.02 I 0.01 C Shift Assignments>> C :: 173.21 CA :: 54.30(D) CB :: 37.61(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.70(D) HB2 :: 3.00(D) HB3 :: 2.03(D) HD21 :: 7.06 HD22 :: 7.57 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 113.61 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q62 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Duplicate H Shifts: Suspicious N Shifts: Suspicious PRTL>> M 0.88 E 0.07 Q 0.03 C Shift Assignments>> C :: 173.26(D) CA :: 53.94(D) CB :: 34.54(D) CG :: 33.56(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.69 HA :: 5.21(D) HB2 :: 1.66(D) HB3 :: 1.66(D) HG2 :: 2.05(D) HG3 :: 1.74(D) HE21 :: 5.53(S) HE22 :: 5.09(S) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 129.96 NE2 :: 104.88(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (HE22 > HA : 0.9976) 1.V63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.D32 1.D32 C Shift Assignments>> C :: 175.45(D) CA :: 61.19(D) CB :: 35.59(D) CG1 :: 23.07(D) CG2 :: 22.81(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.07 HA :: 4.76(D) HB :: 1.92(D) HG11 :: 0.95(D) HG12 :: 0.95(D) HG13 :: 0.95(D) HG21 :: 1.07(D) HG22 :: 1.07(D) HG23 :: 1.07(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.44 Ave N Shift Values>> N :: 121.14(4.54) 1.T64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.88(D) CA :: 61.06(D) CB :: 69.82(D) CG2 :: 20.77(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.24 HA :: 6.20(S) HB :: 4.37(D) HG1 :: 6.47 HG21 :: 1.33(D) HG22 :: 1.33(D) HG23 :: 1.33(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.85 Ave N Shift Values>> N :: 115.42(4.75) 1.I65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.7 G 0.28 A 0.01 C Shift Assignments>> C :: 174.61(D) CA :: 59.59(D) CB :: 43.09(D) CG1 :: 29.64(D) CG2 :: 17.33(D) CD1 :: 13.99(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.75 HA :: 5.03(D) HB :: 1.74(D) HG12 :: 0.99(D) HG13 :: 1.79(D) HG21 :: 0.57(D) HG22 :: 0.57(D) HG23 :: 0.57(D) HD11 :: 0.96(D) HD12 :: 0.96(D) HD13 :: 0.96(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 128.37 Ave N Shift Values>> N :: 121.46(4.28) 1.K66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.8 R 0.11 G 0.05 A 0.02 C Shift Assignments>> C :: 176.71(D) CA :: 54.74(D) CB :: 34.98(D) CG :: 24.09(D) CD :: 29.55(D) CE :: 42.59 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.40 HA :: 4.52(D) HB2 :: 1.49(D) HB3 :: 1.78(D) HG2 :: 0.49(S) HG3 :: 1.18(D) HD2 :: 1.50(D) HD3 :: 1.62(D) HE2 :: 3.02 HE3 :: 2.95 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.60 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> E 0.51 K 0.2 Q 0.14 I 0.11 M 0.01 R 0.01 C Shift Assignments>> C :: 177.46(D) CA :: 57.23(D) CB :: 28.62(D) CG :: 35.96(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.53 HA :: 3.99(D) HB2 :: 1.96(D) HB3 :: 1.96(D) HG2 :: 2.35(D) HG3 :: 1.88(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 129.28 Ave N Shift Values>> N :: 120.67(3.48) 1.A68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.82 M 0.15 HN Overlap>> 1.A4 1.A4 C Shift Assignments>> C :: 177.67(D) CA :: 53.31(D) CB :: 19.16(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.23 HA :: 4.11(D) HB1 :: 1.24(D) HB2 :: 1.24(D) HB3 :: 1.24(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.56 Ave N Shift Values>> N :: 123.23(3.54) 1.N69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.53 Y 0.12 F 0.09 D 0.09 E 0.06 M 0.04 L 0.02 C Shift Assignments>> C :: 174.08(D) CA :: 53.95(D) CB :: 37.75(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.43(D) HB2 :: 2.98(D) HB3 :: 2.84(D) HD21 :: 6.97 HD22 :: 7.68 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 114.25 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.83 T 0.16 C Shift Assignments>> C :: 172.25(D) CA :: 57.88(D) CB :: 66.51(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.64 HA :: 4.76(D) HB2 :: 3.77(D) HB3 :: 3.72(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.68 Ave N Shift Values>> N :: 116.28(3.52) 1.N71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.77 D 0.09 Y 0.04 F 0.04 L 0.01 M 0.01 C Shift Assignments>> C :: 173.38(D) CA :: 51.73(D) CB :: 38.05(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.78(D) HB2 :: 2.52(D) HB3 :: 2.92(D) HD21 :: 7.59 HD22 :: 6.85 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 111.85 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.37 D 0.37 L 0.13 F 0.05 Y 0.03 K 0.01 C Shift Assignments>> C :: 173.78(D) CA :: 51.75(D) CB :: 40.56(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.79 HA :: 5.58(D) HB2 :: 2.39(D) HB3 :: 2.47(D) HD21 :: 6.84 HD22 :: 7.08 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.82 ND2 :: 112.98 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.58 G 0.41 C Shift Assignments>> C :: 174.31(D) CA :: 56.02(D) CB :: 43.82(D) CD1 :: 133.00(D) CD2 :: 133.00(D) CE1 :: 117.25(D) CE2 :: 117.25(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.25 HA :: 5.53(D) HB2 :: 2.26(D) HB3 :: 2.44(D) HD1 :: 6.50(D) HD2 :: 6.50(D) HE1 :: 6.42(D) HE2 :: 6.42(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.46 Ave N Shift Values>> N :: 120.52(4.2) 1.Q74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.87 Q 0.11 E 0.01 C Shift Assignments>> C :: 175.78(D) CA :: 53.31(D) CB :: 33.39(D) CG :: 33.58(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.57 HA :: 5.34(D) HB2 :: 2.09(D) HB3 :: 2.09(D) HG2 :: 2.56(D) HG3 :: 2.24(D) HE21 :: 8.75(S) HE22 :: 6.34 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.31 NE2 :: 109.80 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 175.18(D) CA :: 53.44(D) CB :: 34.34(D) CD1 :: 125.41(D) CE3 :: 120.86 CZ2 :: 114.54(D) CZ3 :: 122.31 CH2 :: 124.07(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.05 HA :: 6.15(D) HB2 :: 2.99(D) HB3 :: 3.12(D) HD1 :: 7.57(D) HE1 :: 9.03 HE3 :: 7.62 HZ2 :: 7.10(D) HZ3 :: 6.93(D) HH2 :: 6.88(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.74 NE1 :: 127.06 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.I96 1.I96 C Shift Assignments>> C :: 177.38(D) CA :: 57.06(D) CB :: 38.98(D) CD1 :: 132.70(D) CD2 :: 132.70(D) CE1 :: 121.04(D) CE2 :: 121.04(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.56 HA :: 5.34(D) HB2 :: 3.37(D) HB3 :: 3.00(D) HD1 :: 7.24(D) HD2 :: 7.24(D) HE1 :: 7.17(D) HE2 :: 7.17(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.34 Ave N Shift Values>> N :: 120.52(4.2) 1.M77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.5 A 0.48 I 0.01 C Shift Assignments>> C :: 176.31(D) CA :: 56.05(D) CB :: 37.32(D) CG :: 32.40(D) CE :: 18.42(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.48 HA :: 4.61(D) HB2 :: 1.27(D) HB3 :: 1.50(D) HG2 :: 2.24(D) HG3 :: 2.11(D) HE1 :: 1.31(D) HE2 :: 1.31(D) HE3 :: 1.31(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.37 Ave N Shift Values>> N :: 120.09(3.57) 1.H78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> K 0.45 L 0.31 R 0.09 I 0.04 Q 0.03 W 0.02 H 0.01 C Shift Assignments>> C :: 174.86 CA :: 57.53(D) CB :: 25.07(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.46 HA :: 4.35(D) HB2 :: 3.15(D) HB3 :: 3.85(D) HD2 :: 6.27 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 110.97 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.25 N 0.22 F 0.18 Y 0.18 L 0.12 I 0.01 C Shift Assignments>> C :: 176.85(D) CA :: 55.15(D) CB :: 39.56(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.83 HA :: 4.72(D) HB2 :: 2.85(D) HB3 :: 2.33(D) HD21 :: 6.95 HD22 :: 5.36(S) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.02 ND2 :: 109.39 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.39 D 0.19 Y 0.15 F 0.14 L 0.06 E 0.01 I 0.01 M 0.01 C Shift Assignments>> C :: 175.72(D) CA :: 54.49(D) CB :: 38.78(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.22 HA :: 5.16(D) HB2 :: 2.86(D) HB3 :: 2.86(D) HD21 :: 7.81 HD22 :: 7.66 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.50 ND2 :: 111.69 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.68 G 0.19 K 0.12 C Shift Assignments>> C :: 173.88(D) CA :: 55.69(D) CB :: 33.35(D) CG :: 27.15(D) CD :: 43.58(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.59 HA :: 4.51(D) HB2 :: 1.83(D) HB3 :: 1.83(D) HG2 :: 1.57(D) HG3 :: 1.57(D) HD2 :: 3.00(D) HD3 :: 3.08(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.44 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.64 R 0.22 G 0.09 A 0.02 C Shift Assignments>> C :: 177.29(D) CA :: 53.67(D) CB :: 43.11(D) CG :: 27.16(D) CD1 :: 23.94(D) CD2 :: 26.56(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.19 HA :: 4.93(D) HB2 :: 1.50(D) HB3 :: 2.07(D) HG :: 1.69(D) HD11 :: 0.70(D) HD12 :: 0.70(D) HD13 :: 0.70(D) HD21 :: 0.84(D) HD22 :: 0.84(D) HD23 :: 0.84(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.06 Ave N Shift Values>> N :: 121.86(3.9) 1.T83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 173.50(D) CA :: 61.51(D) CB :: 67.73(D) CG2 :: 21.64(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.22 HA :: 4.57(D) HB :: 4.46(D) HG21 :: 0.74(D) HG22 :: 0.74(D) HG23 :: 0.74(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.50 Ave N Shift Values>> N :: 115.42(4.75) 1.V84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.6 A 0.25 V 0.13 C Shift Assignments>> C :: 174.04(D) CA :: 58.90(D) CB :: 36.57(D) CG1 :: 17.83(D) CG2 :: 22.74(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.88 HA :: 4.74(D) HB :: 2.33(D) HG11 :: 0.87(D) HG12 :: 0.87(D) HG13 :: 0.87(D) HG21 :: 1.03(D) HG22 :: 1.03(D) HG23 :: 1.03(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 111.79 Ave N Shift Values>> N :: 121.14(4.54) 1.S85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 172.92(D) CA :: 56.78(D) CB :: 66.01(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.81 HA :: 4.72(D) HB2 :: 3.59(D) HB3 :: 3.83(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.18 Ave N Shift Values>> N :: 116.28(3.52) 1.A86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.5 A 0.47 I 0.01 C Shift Assignments>> C :: 178.01(D) CA :: 54.28(D) CB :: 17.59(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.84 HA :: 3.70(D) HB1 :: 1.35(D) HB2 :: 1.35(D) HB3 :: 1.35(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.32 Ave N Shift Values>> N :: 123.23(3.54) 1.G87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.61 L 0.22 R 0.09 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.72(D) CA :: 44.63(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.24 HA2 :: 3.57(D) HA3 :: 4.52(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.18 Ave N Shift Values>> N :: 109.67(3.87) 1.D88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> D 0.26 L 0.21 F 0.17 Y 0.14 K 0.1 N 0.07 I 0.01 HN Overlap>> 1.D126 1.D126 C Shift Assignments>> C :: 175.40(D) CA :: 55.64(D) CB :: 40.81(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.08 HA :: 4.60(D) HB2 :: 2.80(D) HB3 :: 2.63(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.85 Ave N Shift Values>> N :: 120.65(3.86) 1.K89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> K 0.76 R 0.21 G 0.01 C Shift Assignments>> C :: 176.83(D) CA :: 55.72(D) CB :: 33.08(D) CG :: 25.13(D) CD :: 29.10(D) CE :: 42.22 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.68 HA :: 4.92(D) HB2 :: 1.89(D) HB3 :: 1.83(D) HG2 :: 1.64(D) HG3 :: 1.52(D) HD2 :: 1.74(D) HD3 :: 1.74(D) HE2 :: 3.04 HE3 :: 3.04 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.64 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.77 A 0.15 I 0.06 HN Overlap>> 1.G117 1.G117 C Shift Assignments>> C :: 175.27(D) CA :: 58.84(D) CB :: 35.96(D) CG1 :: 22.15(D) CG2 :: 18.42(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.72 HA :: 4.86(D) HB :: 2.17(D) HG11 :: 0.83(D) HG12 :: 0.83(D) HG13 :: 0.83(D) HG21 :: 0.73(D) HG22 :: 0.73(D) HG23 :: 0.73(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.85 Ave N Shift Values>> N :: 121.14(4.54) 1.K91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> K 0.88 R 0.08 G 0.01 A 0.01 C Shift Assignments>> C :: 176.58(D) CA :: 53.37(D) CB :: 34.23(D) CG :: 24.55(D) CD :: 28.57(D) CE :: 41.94 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.90 HA :: 4.91(D) HB2 :: 1.71(D) HB3 :: 1.71(D) HG2 :: 1.45(D) HG3 :: 1.45(D) HD2 :: 1.69(D) HD3 :: 1.69(D) HE2 :: 3.03 HE3 :: 3.03 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.93 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.54 M 0.43 I 0.01 C Shift Assignments>> C :: 178.72 CA :: 53.99(D) CB :: 17.76(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.87 HA :: 3.52(D) HB1 :: 1.18(D) HB2 :: 1.18(D) HB3 :: 1.18(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.34 Ave N Shift Values>> N :: 123.23(3.54) 1.G93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 174.18(D) CA :: 45.16(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.22 HA2 :: 4.38(D) HA3 :: 3.37(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.43 Ave N Shift Values>> N :: 109.67(3.87) 1.D94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> D 0.33 L 0.2 N 0.14 F 0.13 Y 0.1 K 0.06 C Shift Assignments>> C :: 176.93(D) CA :: 54.62(D) CB :: 40.64(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.42(D) HA :: 4.68(D) HB2 :: 2.77(D) HB3 :: 2.61(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.64 Ave N Shift Values>> N :: 120.65(3.86) 1.Q95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Suspicious PRTL>> R 0.37 Q 0.33 K 0.23 M 0.02 E 0.01 I 0.01 C Shift Assignments>> C :: 175.90(D) CA :: 57.66(D) CB :: 27.14(D) CG :: 32.98(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.99 HA :: 3.88(D) HB2 :: 1.76(D) HB3 :: 1.76(D) HG2 :: 2.00(D) HG3 :: 1.67(D) HE21 :: 5.41(S) HE22 :: 4.33(S) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.86 NE2 :: 103.19(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Y76 1.Y76 C Shift Assignments>> C :: 175.59(D) CA :: 61.06(D) CB :: 39.96(D) CG1 :: 25.39(D) CG2 :: 17.71(D) CD1 :: 12.10(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.53 HA :: 4.50(D) HB :: 1.77(D) HG12 :: 0.65(D) HG13 :: 0.30(D) HG21 :: 0.67(D) HG22 :: 0.67(D) HG23 :: 0.67(D) HD11 :: -0.23(D) HD12 :: -0.23(D) HD13 :: -0.23(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.34 Ave N Shift Values>> N :: 121.46(4.28) 1.A97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.6 L 0.37 K 0.01 C Shift Assignments>> C :: 175.56(D) CA :: 51.97(D) CB :: 22.14(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.43 HA :: 4.78(D) HB1 :: 1.17(D) HB2 :: 1.17(D) HB3 :: 1.17(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.47 Ave N Shift Values>> N :: 123.23(3.54) 1.Y98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.35(D) CA :: 57.86(D) CB :: 40.92(D) CD1 :: 132.98(D) CD2 :: 132.98(D) CE1 :: 118.59(D) CE2 :: 118.59(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.78 HA :: 4.83(D) HB2 :: 2.81(D) HB3 :: 2.76(D) HD1 :: 6.76(D) HD2 :: 6.76(D) HE1 :: 6.67(D) HE2 :: 6.67(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.91 Ave N Shift Values>> N :: 120.52(4.2) 1.S99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.92(D) CA :: 60.51(D) CB :: 64.03(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.38(S) HA :: 4.67(D) HB2 :: 4.39(D) HB3 :: 3.75(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.87 Ave N Shift Values>> N :: 116.28(3.52) 1.G100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 P 0.01 C Shift Assignments>> C :: 172.61 CA :: 47.24(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.07 HA2 :: 4.37 HA3 :: 3.96 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.04 Ave N Shift Values>> N :: 109.67(3.87) 1.S101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.26 V 0.24 T 0.18 P 0.17 I 0.13 C Shift Assignments>> C :: 175.62 CB :: 65.04(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.41 HB2 :: 3.90(D) HB3 :: 3.90(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.64 Ave N Shift Values>> N :: 116.28(3.52) 1.T102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.93(D) CA :: 61.81(D) CB :: 71.77(D) CG2 :: 22.83 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.02 HA :: 4.53(D) HB :: 4.61(D) HG21 :: 1.53(D) HG22 :: 1.53(D) HG23 :: 1.53(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.12 Ave N Shift Values>> N :: 115.42(4.75) 1.G103 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.69 M 0.06 E 0.06 Y 0.06 F 0.04 D 0.04 C Shift Assignments>> C :: 174.61 CA :: 52.51(D) CB :: 37.07(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.83(D) HB2 :: 2.89(D) HB3 :: 2.94(D) HD21 :: 7.75 HD22 :: 6.96 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 112.60 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HB2 :: 3.75 HB3 :: 3.75 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.T106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.87(D) CA :: 61.78(D) CB :: 69.73(D) CG2 :: 21.75(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.40(D) HB :: 4.33(D) HG21 :: 1.16(D) HG22 :: 1.16(D) HG23 :: 1.16(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.29 Ave N Shift Values>> N :: 115.42(4.75) 1.A107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.96 M 0.02 C Shift Assignments>> C :: 174.46(D) CA :: 50.21(D) CB :: 19.64(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.78 HA :: 4.83(D) HB1 :: 1.29(D) HB2 :: 1.29(D) HB3 :: 1.29(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.77 Ave N Shift Values>> N :: 123.23(3.54) 1.P108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 176.71(D) CA :: 64.14(D) CB :: 31.43(D) CG :: 27.97(D) CD :: 50.80(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.52(D) HB2 :: 2.58(D) HB3 :: 2.18(D) HG2 :: 2.32(D) HG3 :: 2.06(D) HD2 :: 4.01(D) HD3 :: 3.72(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 138.14 Ave N Shift Values>> N :: 134.16(6.62) 1.H109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> H 0.51 W 0.48 C Shift Assignments>> C :: 172.28(D) CA :: 55.85(D) CB :: 29.84(D) CD2 :: 120.29(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.42 HA :: 5.36(D) HB2 :: 3.37(D) HB3 :: 3.09(D) HD2 :: 6.82(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.13 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.95 I 0.04 C Shift Assignments>> C :: 177.34 CA :: 61.89(D) CB :: 36.54(D) CG1 :: 20.44(D) CG2 :: 22.91(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.85 HA :: 4.57(D) HB :: 2.29(D) HG11 :: 1.45(D) HG12 :: 1.45(D) HG13 :: 1.45(D) HG21 :: 1.48(D) HG22 :: 1.48(D) HG23 :: 1.48(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.27 Ave N Shift Values>> N :: 121.14(4.54) 1.H111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.6 W 0.36 Y 0.02 C Shift Assignments>> C :: 174.46(D) CA :: 55.90(D) CB :: 33.59(D) CD2 :: 118.67(D) CE1 :: 138.21(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 6.65 HA :: 6.10(S) HB2 :: 3.97(D) HB3 :: 3.03(D) HD2 :: 6.74(D) HE1 :: 7.93(D) HE2 :: 12.95 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.63 NE2 :: 167.82 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> F 0.65 Y 0.33 C Shift Assignments>> C :: 172.39(D) CA :: 55.71(D) CB :: 41.95(D) CD1 :: 131.39(D) CD2 :: 131.39(D) CZ :: 128.51(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.04 HA :: 5.51(D) HB2 :: 2.89(D) HB3 :: 2.77(D) HD1 :: 6.63(D) HD2 :: 6.63(D) HE1 :: 6.95 HE2 :: 6.95 HZ :: 6.84(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 129.84 Ave N Shift Values>> N :: 120.45(4.18) 1.Q113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.92 Q 0.06 E 0.01 C Shift Assignments>> C :: 171.43(D) CA :: 53.05(D) CB :: 33.28(D) CG :: 32.73(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.72 HA :: 4.47(D) HB2 :: 1.76(D) HB3 :: 2.15(D) HG2 :: 1.60(D) HG3 :: 2.81(D) HE21 :: 8.05 HE22 :: 5.82 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 128.13 NE2 :: 113.50 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.62 R 0.25 G 0.11 C Shift Assignments>> C :: 173.77(D) CA :: 54.63(D) CB :: 33.82(D) CG :: 29.02(D) CD :: 43.08(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.79 HA :: 4.83(D) HB2 :: 1.08(D) HB3 :: 1.35(D) HG2 :: 1.30(D) HG3 :: 1.20(D) HD2 :: 1.84(S) HD3 :: 2.59(D) HE :: 9.44(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 129.38 NE :: 86.66 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.M115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.41 I 0.31 A 0.27 C Shift Assignments>> C :: 174.22(D) CA :: 54.13(D) CB :: 36.68(D) CG :: 29.84(D) CE :: 14.21(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.42 HA :: 4.83(D) HB2 :: 1.61(D) HB3 :: 2.48(D) HG2 :: 1.87(D) HG3 :: 2.36(D) HE1 :: 0.77(D) HE2 :: 0.77(D) HE3 :: 0.77(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 126.09 Ave N Shift Values>> N :: 120.09(3.57) 1.S116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.74(D) CA :: 56.64(D) CB :: 65.02(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.78 HA :: 5.33(D) HB2 :: 3.79(D) HB3 :: 3.50(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.65 Ave N Shift Values>> N :: 116.28(3.52) 1.G117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 HN Overlap>> 1.V90 1.V90 C Shift Assignments>> C :: 172.89 CA :: 45.24(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.74 HA2 :: 4.36(D) HA3 :: 3.67(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.76 Ave N Shift Values>> N :: 109.67(3.87) 1.G118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.42 L 0.29 G 0.07 D 0.06 F 0.05 K 0.03 Y 0.03 C Shift Assignments>> C :: 168.35 CA :: 43.37(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.85 HA2 :: 2.08(S) HA3 :: 3.03(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.86 Ave N Shift Values>> N :: 109.67(3.87) 1.I119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.49(D) CA :: 60.92(D) CB :: 39.07(D) CG1 :: 27.08(D) CG2 :: 18.99(D) CD1 :: 14.44(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.35 HA :: 3.36(D) HB :: 1.17(D) HG12 :: 0.12(D) HG13 :: -0.52(S) HG21 :: 0.63(D) HG22 :: 0.63(D) HG23 :: 0.63(D) HD11 :: 0.46(D) HD12 :: 0.46(D) HD13 :: 0.46(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.57 Ave N Shift Values>> N :: 121.46(4.28) 1.G120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.39 L 0.31 G 0.11 D 0.05 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> C :: 174.24(D) CA :: 43.57(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.33 HA2 :: 4.58(D) HA3 :: 3.68(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.25 Ave N Shift Values>> N :: 109.67(3.87) 1.N121 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.39 M 0.15 Y 0.14 F 0.08 N 0.07 K 0.05 I 0.03 Q 0.02 C Shift Assignments>> C :: 177.28(D) CA :: 56.07(D) CB :: 36.41(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.11 HA :: 3.65(D) HB2 :: 2.17(D) HB3 :: 0.87(S) HD21 :: 7.34 HD22 :: 7.02 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.52 ND2 :: 111.46 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.48 Q 0.25 K 0.21 M 0.03 C Shift Assignments>> C :: 175.37(D) CA :: 57.46(D) CB :: 26.94(D) CG :: 32.52(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.44 HA :: 3.96(D) HB2 :: 1.75(D) HB3 :: 1.54(D) HG2 :: 1.14(S) HG3 :: 1.62(D) HE21 :: 7.28 HE22 :: 6.83 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.34 NE2 :: 112.59 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.35(D) CA :: 57.13(D) CB :: 39.23(D) CD1 :: 132.75(D) CD2 :: 132.75(D) CE1 :: 118.11(D) CE2 :: 118.11(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.07 HA :: 4.56(D) HB2 :: 2.19(D) HB3 :: 3.26(D) HD1 :: 6.65(D) HD2 :: 6.65(D) HE1 :: 6.57(D) HE2 :: 6.57(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.83 Ave N Shift Values>> N :: 120.52(4.2) 1.A124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.85 M 0.07 L 0.06 C Shift Assignments>> C :: 176.47(D) CA :: 53.59(D) CB :: 20.32(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.39 HA :: 4.62(D) HB1 :: 1.85(D) HB2 :: 1.85(D) HB3 :: 1.85(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.81 Ave N Shift Values>> N :: 123.23(3.54) 1.V125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.5 A 0.42 I 0.07 C Shift Assignments>> C :: 173.66(D) CA :: 58.14(D) CB :: 35.24(D) CG1 :: 22.32(D) CG2 :: 17.56(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.41 HA :: 4.59(D) HB :: 2.05(D) HG11 :: 0.95(D) HG12 :: 0.95(D) HG13 :: 0.95(D) HG21 :: 0.44(D) HG22 :: 0.44(D) HG23 :: 0.44(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.98 Ave N Shift Values>> N :: 121.14(4.54) 1.D126 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.41 N 0.27 L 0.18 K 0.04 F 0.03 Y 0.02 R 0.01 HN Overlap>> 1.D88 1.D88 C Shift Assignments>> C :: 177.19(D) CA :: 50.63(D) CB :: 41.35(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.11 HA :: 2.50(S) HB2 :: 2.24(D) HB3 :: 2.64(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.90 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (HA > HB3 : 0.9997) 1.P127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 175.88(D) CA :: 63.08(D) CB :: 32.40(D) CG :: 26.04(D) CD :: 49.84(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.61(D) HB2 :: 2.38(D) HB3 :: 1.92(D) HG2 :: 2.06(D) HG3 :: 1.95(D) HD2 :: 3.42(D) HD3 :: 4.01(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 139.45 Ave N Shift Values>> N :: 134.16(6.62) 1.T128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.47(D) CA :: 68.93(D) CB :: 68.17(D) CG2 :: 20.85(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.71 HA :: 3.66(D) HB :: 4.07(D) HG21 :: 1.20(D) HG22 :: 1.20(D) HG23 :: 1.20(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.10 Ave N Shift Values>> N :: 115.42(4.75) 1.S129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.54(D) CA :: 61.37(D) CB :: 62.19(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.19(D) HB2 :: 3.92(D) HB3 :: 3.92(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.19 Ave N Shift Values>> N :: 116.28(3.52) 1.Y130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.49(D) CA :: 61.18(D) CB :: 38.89(D) CD1 :: 132.58(D) CD2 :: 132.58(D) CE1 :: 117.78(D) CE2 :: 117.78(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.53 HA :: 4.18(D) HB2 :: 3.20(D) HB3 :: 2.99(D) HD1 :: 6.85(D) HD2 :: 6.85(D) HE1 :: 6.59(D) HE2 :: 6.59(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.20 Ave N Shift Values>> N :: 120.52(4.2) 1.L131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.82 R 0.14 G 0.01 C Shift Assignments>> C :: 177.89(D) CA :: 56.92(D) CB :: 41.96(D) CG :: 27.16(D) CD1 :: 26.09(D) CD2 :: 23.37(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.26 HA :: 3.71(D) HB2 :: 1.95(D) HB3 :: 1.24(D) HG :: 1.87(D) HD11 :: 0.92(D) HD12 :: 0.92(D) HD13 :: 0.92(D) HD21 :: 0.36(D) HD22 :: 0.36(D) HD23 :: 0.36(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.93 Ave N Shift Values>> N :: 121.86(3.9) 1.Q132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Q 0.39 K 0.36 E 0.11 R 0.06 M 0.04 I 0.01 C Shift Assignments>> C :: 176.00(D) CA :: 56.85(D) CB :: 28.84(D) CG :: 33.99(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.69 HA :: 4.16(D) HB2 :: 2.11(D) HB3 :: 2.11(D) HG2 :: 2.52(D) HG3 :: 2.43(D) HE21 :: 7.44 HE22 :: 6.79 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.08 NE2 :: 111.45 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.51(D) CA :: 58.31(D) CB :: 64.15(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.66 HA :: 4.44(D) HB2 :: 3.97(D) HB3 :: 3.82(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.57 Ave N Shift Values>> N :: 116.28(3.52) 1.R134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> R 0.62 K 0.31 G 0.05 C Shift Assignments>> CA :: 56.85(D) CB :: 31.65(D) CG :: 26.20(D) CD :: 43.00(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.32 HA :: 4.02(D) HB2 :: 1.84(D) HB3 :: 1.59(D) HG2 :: 1.48(D) HG3 :: 1.40(D) HD2 :: 2.94(D) HD3 :: 2.79(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.80 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 3 #Clerical: 111 #Suspicious: 19 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 132 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 132 #Suspicious: 2 C Shift Results: #Consistent: 27 #Duplicate: 517 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 178 #Duplicate: 643 #Unknown: 0 #Suspicious: 24 #Anomalous: 1 N Shift Results: #Consistent: 149 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.G1 CA = 43.87(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.6939e-01 1.G1 HA2 = 3.85(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.4569e-01 1.G1 HA3 = 3.85(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.9251e-01 1.S2 CA = 58.48(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.0770e-01 1.S2 CB = 64.02(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.8183e-01 1.S2 HA = 4.55(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.6108e-01 1.S2 HB2 = 3.86(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.3624e-01 1.S2 HB3 = 3.86(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.7046e-01 1.H3 CA = 55.47(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.4944e-01 1.H3 CB = 31.66(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.9272e-01 1.H3 CD2 = 120.48(D), Expected = 120.49, Std = 3.4200, ChiSquare = 9.9767e-01 1.H3 CE1 = 138.43(D), Expected = 137.71, Std = 2.1200, ChiSquare = 7.3414e-01 1.H3 HA = 4.86(D), Expected = 4.61, Std = 0.4300, ChiSquare = 5.6097e-01 1.H3 HB2 = 3.08(D), Expected = 3.10, Std = 0.3600, ChiSquare = 9.5570e-01 1.H3 HB3 = 2.92(D), Expected = 3.04, Std = 0.3800, ChiSquare = 7.5216e-01 1.H3 HD2 = 7.02(D), Expected = 7.00, Std = 0.4300, ChiSquare = 9.6290e-01 1.H3 HE1 = 7.99(D), Expected = 7.95, Std = 0.4800, ChiSquare = 9.3359e-01 1.A4 C = 177.53(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.2146e-01 1.A4 CA = 51.70(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.6706e-01 1.A4 CB = 19.47(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.0153e-01 1.A4 HA = 4.05(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.3317e-01 1.A4 HB1 = 0.79(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.1252e-02 1.A4 HB2 = 0.79(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.1252e-02 1.A4 HB3 = 0.79(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.1252e-02 1.K5 C = 175.85(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.9284e-01 1.K5 CA = 57.11(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.4202e-01 1.K5 CB = 33.05(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.8387e-01 1.K5 CG = 24.74(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.9440e-01 1.K5 CD = 29.19(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.3136e-01 1.K5 HA = 4.16(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.0259e-01 1.K5 HB2 = 1.72(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.1033e-01 1.K5 HB3 = 1.77(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.1153e-01 1.K5 HG2 = 1.40(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.0814e-01 1.K5 HG3 = 1.37(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.4306e-01 1.K5 HD2 = 1.62(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.6375e-01 1.K5 HD3 = 1.62(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.2757e-01 1.D6 C = 175.03(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.3371e-01 1.D6 CA = 53.78(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.5395e-01 1.D6 CB = 41.02(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.3113e-01 1.D6 HA = 4.53(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.5127e-01 1.D6 HB2 = 2.97(D), Expected = 2.72, Std = 0.2600, ChiSquare = 3.3628e-01 1.D6 HB3 = 2.79(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.4244e-01 1.A7 C = 178.43(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.4598e-01 1.A7 CA = 51.98(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.5797e-01 1.A7 CB = 19.43(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.1847e-01 1.A7 HA = 4.36(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.2021e-01 1.A7 HB1 = 1.19(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.3830e-01 1.A7 HB2 = 1.19(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.3830e-01 1.A7 HB3 = 1.19(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.3830e-01 1.S8 C = 175.89(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.6029e-01 1.S8 CA = 62.04(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.0874e-01 1.S8 CB = 62.72(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.6556e-01 1.S8 HA = 4.15(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.0937e-01 1.S8 HB2 = 3.87(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.6809e-01 1.S8 HB3 = 3.87(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.4095e-01 1.W9 CA = 58.35(D), Expected = 57.66, Std = 2.5800, ChiSquare = 7.8913e-01 1.W9 CB = 26.75(D), Expected = 30.01, Std = 2.0100, ChiSquare = 1.0483e-01 1.W9 CD1 = 129.19(D), Expected = 126.51, Std = 1.8300, ChiSquare = 1.4306e-01 1.W9 CE3 = 122.34(D), Expected = 120.43, Std = 1.7900, ChiSquare = 2.8595e-01 1.W9 CZ2 = 116.94(D), Expected = 114.26, Std = 1.1200, ChiSquare = 1.6718e-02 1.W9 CZ3 = 122.00(D), Expected = 121.35, Std = 1.5300, ChiSquare = 6.7096e-01 1.W9 CH2 = 123.40(D), Expected = 123.86, Std = 1.4200, ChiSquare = 7.4598e-01 1.W9 HA = 4.35(D), Expected = 4.68, Std = 0.5300, ChiSquare = 5.3352e-01 1.W9 HB2 = 3.79(D), Expected = 3.19, Std = 0.3500, ChiSquare = 8.6476e-02 1.W9 HB3 = 3.21(D), Expected = 3.12, Std = 0.3600, ChiSquare = 8.0259e-01 1.W9 HD1 = 7.78(D), Expected = 7.14, Std = 0.3600, ChiSquare = 7.5440e-02 1.W9 HE3 = 7.74(D), Expected = 7.31, Std = 0.4100, ChiSquare = 2.9428e-01 1.W9 HZ2 = 7.91(D), Expected = 7.28, Std = 0.3300, ChiSquare = 5.6250e-02 1.W9 HZ3 = 7.12(D), Expected = 6.86, Std = 0.4000, ChiSquare = 5.1569e-01 1.W9 HH2 = 7.40(D), Expected = 6.98, Std = 0.3900, ChiSquare = 2.8151e-01 1.L10 C = 176.65(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.6366e-01 1.L10 CA = 55.57(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.8127e-01 1.L10 CB = 41.48(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.5886e-01 1.L10 CG = 25.48(D), Expected = 26.78, Std = 1.1000, ChiSquare = 2.3728e-01 1.L10 CD1 = 25.83(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.8511e-01 1.L10 CD2 = 23.87(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.1568e-01 1.L10 HA = 3.75(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.2522e-01 1.L10 HB2 = 0.64(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.3317e-03 1.L10 HB3 = -1.21(S), Expected = 1.52, Std = 0.3600, ChiSquare = 3.3679e-14 1.L10 HG = 0.10(S), Expected = 1.51, Std = 0.3300, ChiSquare = 1.9310e-05 1.L10 HD11 = 0.25(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.4146e-02 1.L10 HD12 = 0.25(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.4146e-02 1.L10 HD13 = 0.25(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.4146e-02 1.L10 HD21 = 0.51(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4808e-01 1.L10 HD22 = 0.51(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4808e-01 1.L10 HD23 = 0.51(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4808e-01 1.T11 C = 176.20(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.4559e-01 1.T11 CA = 63.81(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.3928e-01 1.T11 CB = 68.66(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.1154e-01 1.T11 CG2 = 22.18(D), Expected = 21.55, Std = 1.1100, ChiSquare = 5.7033e-01 1.T11 HA = 3.35(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.0750e-02 1.T11 HB = 4.34(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.0645e-01 1.T11 HG21 = 0.90(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.9673e-01 1.T11 HG22 = 0.90(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.9673e-01 1.T11 HG23 = 0.90(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.9673e-01 1.S12 C = 175.01(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.2062e-01 1.S12 CA = 59.35(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.6086e-01 1.S12 CB = 63.69(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.4075e-01 1.S12 HA = 4.49(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.8006e-01 1.S12 HB2 = 4.02(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.7548e-01 1.S12 HB3 = 4.02(D), Expected = 3.85, Std = 0.2700, ChiSquare = 5.2894e-01 1.R13 C = 175.42(D), Expected = 176.41, Std = 2.0300, ChiSquare = 6.2577e-01 1.R13 CA = 54.05(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.3900e-01 1.R13 CB = 30.83(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.4337e-01 1.R13 CG = 27.30(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.4021e-01 1.R13 CD = 42.95(D), Expected = 43.16, Std = 0.8800, ChiSquare = 8.1139e-01 1.R13 HA = 4.44(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.6086e-01 1.R13 HB2 = 2.66(D), Expected = 1.79, Std = 0.2700, ChiSquare = 1.2720e-03 1.R13 HB3 = 2.35(D), Expected = 1.76, Std = 0.2800, ChiSquare = 3.5105e-02 1.R13 HG2 = 1.95(D), Expected = 1.57, Std = 0.2700, ChiSquare = 1.5931e-01 1.R13 HG3 = 1.84(D), Expected = 1.54, Std = 0.2900, ChiSquare = 3.0091e-01 1.R13 HD2 = 3.49(D), Expected = 3.12, Std = 0.2400, ChiSquare = 1.2315e-01 1.R13 HD3 = 3.43(D), Expected = 3.10, Std = 0.2600, ChiSquare = 2.0436e-01 1.K14 C = 176.28(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.5715e-01 1.K14 CA = 57.08(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.5288e-01 1.K14 CB = 33.18(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.2657e-01 1.K14 CG = 24.98(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.3652e-01 1.K14 CD = 29.27(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.7408e-01 1.K14 HA = 4.18(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.3793e-01 1.K14 HB2 = 1.88(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.8916e-01 1.K14 HB3 = 1.82(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.6700e-01 1.K14 HG2 = 1.46(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.2923e-01 1.K14 HG3 = 1.29(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.3032e-01 1.K14 HD2 = 1.73(D), Expected = 1.61, Std = 0.2200, ChiSquare = 5.8544e-01 1.K14 HD3 = 1.70(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.4944e-01 1.Q15 C = 176.06(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.9799e-01 1.Q15 CA = 55.61(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.5372e-01 1.Q15 CB = 29.65(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.0046e-01 1.Q15 CG = 35.56(D), Expected = 33.76, Std = 1.1100, ChiSquare = 1.0488e-01 1.Q15 HA = 4.18(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.3793e-01 1.Q15 HB2 = 2.04(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.6809e-01 1.Q15 HB3 = 1.78(D), Expected = 2.02, Std = 0.2800, ChiSquare = 3.9137e-01 1.Q15 HG2 = 1.59(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.8571e-03 1.Q15 HG3 = 1.55(D), Expected = 2.29, Std = 0.2900, ChiSquare = 1.0719e-02 1.L16 C = 177.66(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.3507e-01 1.L16 CA = 56.18(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.9262e-01 1.L16 CB = 44.43(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.5946e-01 1.L16 CG = 26.85(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.4926e-01 1.L16 CD1 = 22.37(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.3941e-01 1.L16 CD2 = 24.93(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.0470e-01 1.L16 HA = 4.28(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.3218e-01 1.L16 HB2 = 1.60(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.7654e-01 1.L16 HB3 = 1.42(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.8118e-01 1.L16 HG = 1.64(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.9363e-01 1.L16 HD11 = 0.83(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7510e-01 1.L16 HD12 = 0.83(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7510e-01 1.L16 HD13 = 0.83(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7510e-01 1.L16 HD21 = 0.81(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8265e-01 1.L16 HD22 = 0.81(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8265e-01 1.L16 HD23 = 0.81(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8265e-01 1.Q17 C = 173.56(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.5846e-01 1.Q17 CA = 51.83(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.6763e-02 1.Q17 HA = 4.97(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.1163e-01 1.P18 C = 175.75(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.0781e-01 1.P18 CA = 61.33(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.8824e-01 1.P18 CB = 33.52(D), Expected = 31.85, Std = 1.1800, ChiSquare = 1.5699e-01 1.P18 CG = 25.54(D), Expected = 27.17, Std = 1.0900, ChiSquare = 1.3481e-01 1.P18 CD = 50.25(D), Expected = 50.32, Std = 0.9900, ChiSquare = 9.4363e-01 1.P18 HA = 4.71(D), Expected = 4.40, Std = 0.3300, ChiSquare = 3.4753e-01 1.P18 HB2 = 2.17(D), Expected = 2.08, Std = 0.3500, ChiSquare = 7.9707e-01 1.P18 HB3 = 2.17(D), Expected = 2.00, Std = 0.3600, ChiSquare = 6.3677e-01 1.P18 HG2 = 1.78(D), Expected = 1.93, Std = 0.3100, ChiSquare = 6.2848e-01 1.P18 HG3 = 2.05(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.4944e-01 1.P18 HD2 = 3.54(D), Expected = 3.65, Std = 0.3500, ChiSquare = 7.5330e-01 1.P18 HD3 = 3.23(D), Expected = 3.61, Std = 0.3900, ChiSquare = 3.2988e-01 1.Y19 C = 176.11(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.2125e-01 1.Y19 CA = 59.56(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.6887e-01 1.Y19 CB = 38.79(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.0617e-01 1.Y19 CE1 = 117.55(D), Expected = 117.93, Std = 1.1900, ChiSquare = 7.4948e-01 1.Y19 CE2 = 117.55(D), Expected = 117.90, Std = 1.1800, ChiSquare = 7.6676e-01 1.Y19 HA = 4.22(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.6408e-01 1.Y19 HB2 = 2.56(D), Expected = 2.91, Std = 0.3700, ChiSquare = 3.4418e-01 1.Y19 HB3 = 2.49(D), Expected = 2.84, Std = 0.3900, ChiSquare = 3.6949e-01 1.Y19 HE1 = 6.68(D), Expected = 6.70, Std = 0.2300, ChiSquare = 9.3071e-01 1.Y19 HE2 = 6.68(D), Expected = 6.71, Std = 0.2300, ChiSquare = 8.9622e-01 1.G20 C = 174.96(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.6206e-01 1.G20 CA = 46.40(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.3329e-01 1.G20 HA2 = 2.62(S), Expected = 3.97, Std = 0.3700, ChiSquare = 2.6362e-04 1.G20 HA3 = 4.21(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.0212e-01 1.Q21 C = 175.10(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.3492e-01 1.Q21 CA = 54.40(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.1057e-01 1.Q21 CB = 32.61(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.0228e-02 1.Q21 CG = 33.91(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.9251e-01 1.Q21 HA = 4.80(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.2838e-01 1.Q21 HB2 = 1.70(D), Expected = 2.05, Std = 0.2500, ChiSquare = 1.6151e-01 1.Q21 HB3 = 1.93(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.4789e-01 1.Q21 HG2 = 2.22(D), Expected = 2.32, Std = 0.2700, ChiSquare = 7.1111e-01 1.Q21 HG3 = 2.17(D), Expected = 2.29, Std = 0.2900, ChiSquare = 6.7903e-01 1.Y22 C = 178.77(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.0367e-02 1.Y22 CA = 58.39(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.1750e-01 1.Y22 CB = 38.37(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.6007e-01 1.Y22 CD1 = 131.86(D), Expected = 132.77, Std = 1.1700, ChiSquare = 4.3670e-01 1.Y22 CD2 = 131.86(D), Expected = 132.73, Std = 1.3000, ChiSquare = 5.0335e-01 1.Y22 CE1 = 117.96(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.7989e-01 1.Y22 CE2 = 117.96(D), Expected = 117.90, Std = 1.1800, ChiSquare = 9.5945e-01 1.Y22 HA = 4.34(D), Expected = 4.63, Std = 0.5600, ChiSquare = 6.0456e-01 1.Y22 HB2 = 2.90(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.7844e-01 1.Y22 HB3 = 2.46(D), Expected = 2.84, Std = 0.3900, ChiSquare = 3.2988e-01 1.Y22 HD1 = 6.61(D), Expected = 6.93, Std = 0.3000, ChiSquare = 2.8612e-01 1.Y22 HD2 = 6.61(D), Expected = 6.93, Std = 0.3000, ChiSquare = 2.8612e-01 1.Y22 HE1 = 6.39(D), Expected = 6.70, Std = 0.2300, ChiSquare = 1.7771e-01 1.Y22 HE2 = 6.39(D), Expected = 6.71, Std = 0.2300, ChiSquare = 1.6413e-01 1.H23 CA = 59.37(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.1729e-01 1.H23 CD2 = 120.39(D), Expected = 120.49, Std = 3.4200, ChiSquare = 9.7667e-01 1.H23 CE1 = 138.84(D), Expected = 137.71, Std = 2.1200, ChiSquare = 5.9402e-01 1.H23 HA = 4.50(D), Expected = 4.61, Std = 0.4300, ChiSquare = 7.9809e-01 1.H23 HD2 = 7.29(D), Expected = 7.00, Std = 0.4300, ChiSquare = 5.0005e-01 1.H23 HE1 = 7.87(D), Expected = 7.95, Std = 0.4800, ChiSquare = 8.6763e-01 1.G24 C = 174.68(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.6658e-01 1.G24 CA = 45.37(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8809e-01 1.G24 HA2 = 3.99(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.5689e-01 1.G24 HA3 = 3.99(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.0782e-01 1.G25 C = 173.46(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.2736e-01 1.G25 CA = 44.27(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.2026e-01 1.G25 HA2 = 4.49(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.5990e-01 1.G25 HA3 = 3.71(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.0759e-01 1.G26 C = 172.59(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.9597e-01 1.G26 CA = 44.03(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.2459e-01 1.G26 HA2 = 3.73(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.1657e-01 1.G26 HA3 = 4.43(D), Expected = 3.90, Std = 0.3700, ChiSquare = 1.5202e-01 1.A27 C = 176.12(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.4692e-01 1.A27 CA = 53.37(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.0752e-01 1.A27 CB = 19.27(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.8702e-01 1.A27 HA = 3.97(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.0984e-01 1.A27 HB1 = 1.07(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.8151e-01 1.A27 HB2 = 1.07(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.8151e-01 1.A27 HB3 = 1.07(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.8151e-01 1.H28 C = 174.69(D), Expected = 175.25, Std = 1.9700, ChiSquare = 7.7621e-01 1.H28 CA = 52.94(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.2119e-01 1.H28 CB = 30.95(D), Expected = 30.24, Std = 2.0700, ChiSquare = 7.3160e-01 1.H28 CD2 = 125.41(D), Expected = 120.49, Std = 3.4200, ChiSquare = 1.5026e-01 1.H28 CE1 = 139.45(D), Expected = 137.71, Std = 2.1200, ChiSquare = 4.1179e-01 1.H28 HA = 4.40(D), Expected = 4.61, Std = 0.4300, ChiSquare = 6.2529e-01 1.H28 HB2 = 2.09(D), Expected = 3.10, Std = 0.3600, ChiSquare = 5.0230e-03 1.H28 HB3 = 1.25(S), Expected = 3.04, Std = 0.3800, ChiSquare = 2.4708e-06 1.H28 HD2 = 7.44(D), Expected = 7.00, Std = 0.4300, ChiSquare = 3.0619e-01 1.H28 HE1 = 7.01(D), Expected = 7.95, Std = 0.4800, ChiSquare = 5.0191e-02 1.Y29 C = 174.04(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.9434e-01 1.Y29 CA = 59.53(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.7700e-01 1.Y29 CB = 37.57(D), Expected = 39.32, Std = 2.1600, ChiSquare = 4.1783e-01 1.Y29 CD1 = 133.40(D), Expected = 132.77, Std = 1.1700, ChiSquare = 5.9026e-01 1.Y29 CD2 = 133.40(D), Expected = 132.73, Std = 1.3000, ChiSquare = 6.0628e-01 1.Y29 CE1 = 117.91(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.8659e-01 1.Y29 CE2 = 117.91(D), Expected = 117.90, Std = 1.1800, ChiSquare = 9.9324e-01 1.Y29 HA = 4.18(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.2164e-01 1.Y29 HB2 = 3.29(D), Expected = 2.91, Std = 0.3700, ChiSquare = 3.0441e-01 1.Y29 HB3 = 2.59(D), Expected = 2.84, Std = 0.3900, ChiSquare = 5.2151e-01 1.Y29 HD1 = 7.13(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.0499e-01 1.Y29 HD2 = 7.13(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.0499e-01 1.Y29 HE1 = 6.68(D), Expected = 6.70, Std = 0.2300, ChiSquare = 9.3071e-01 1.Y29 HE2 = 6.68(D), Expected = 6.71, Std = 0.2300, ChiSquare = 8.9622e-01 1.G30 CA = 44.21(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.9491e-01 1.G30 H = 5.73(S), Expected = 8.33, Std = 0.6500, ChiSquare = 6.3342e-05 1.G30 HA2 = 2.99(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.0814e-03 1.G30 HA3 = 4.33(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.4517e-01 1.V31 C = 173.41(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.4477e-01 1.V31 CA = 59.44(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.8623e-01 1.V31 CB = 35.71(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.5952e-02 1.V31 CG1 = 21.84(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.9691e-01 1.V31 CG2 = 21.32(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.6932e-01 1.V31 HA = 4.45(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.5395e-01 1.V31 HB = 1.84(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.6175e-01 1.V31 HG11 = 1.01(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.8874e-01 1.V31 HG12 = 1.01(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.8874e-01 1.V31 HG13 = 1.01(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.8874e-01 1.V31 HG21 = 1.03(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1140e-01 1.V31 HG22 = 1.03(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1140e-01 1.V31 HG23 = 1.03(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1140e-01 1.D32 C = 175.56(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.3123e-01 1.D32 CA = 52.02(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.8842e-01 1.D32 CB = 43.80(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.1472e-02 1.D32 HA = 6.54(A), Expected = 4.59, Std = 0.3200, ChiSquare = 1.1030e-09 1.D32 HB2 = 2.78(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.1749e-01 1.D32 HB3 = 2.52(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.1707e-01 1.Y33 C = 175.59(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.2394e-01 1.Y33 CA = 57.62(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.3899e-01 1.Y33 CB = 42.25(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.7495e-01 1.Y33 CD1 = 133.54(D), Expected = 132.77, Std = 1.1700, ChiSquare = 5.1046e-01 1.Y33 CD2 = 133.54(D), Expected = 132.73, Std = 1.3000, ChiSquare = 5.3323e-01 1.Y33 CE1 = 118.22(D), Expected = 117.93, Std = 1.1900, ChiSquare = 8.0747e-01 1.Y33 CE2 = 118.22(D), Expected = 117.90, Std = 1.1800, ChiSquare = 7.8625e-01 1.Y33 HA = 5.27(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.5310e-01 1.Y33 HB2 = 2.93(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.5689e-01 1.Y33 HB3 = 2.57(D), Expected = 2.84, Std = 0.3900, ChiSquare = 4.8874e-01 1.Y33 HD1 = 6.81(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.8916e-01 1.Y33 HD2 = 6.81(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.8916e-01 1.A34 C = 176.15(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.5538e-01 1.A34 CA = 53.10(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.8388e-01 1.A34 CB = 19.69(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.1020e-01 1.A34 HA = 4.42(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.1613e-01 1.A34 HB1 = 1.61(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.1731e-01 1.A34 HB2 = 1.61(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.1731e-01 1.A34 HB3 = 1.61(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.1731e-01 1.M35 C = 172.61(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.7612e-02 1.M35 CA = 53.60(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.6035e-01 1.M35 CB = 34.47(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.0880e-01 1.M35 CG = 31.33(D), Expected = 32.01, Std = 1.2400, ChiSquare = 5.8343e-01 1.M35 CE = 17.74(D), Expected = 17.07, Std = 1.5800, ChiSquare = 6.7153e-01 1.M35 HA = 5.09(D), Expected = 4.41, Std = 0.4800, ChiSquare = 1.5658e-01 1.M35 HB2 = 2.31(D), Expected = 2.03, Std = 0.3400, ChiSquare = 4.1021e-01 1.M35 HB3 = 2.09(D), Expected = 1.99, Std = 0.3400, ChiSquare = 7.6867e-01 1.M35 HG2 = 2.62(D), Expected = 2.42, Std = 0.3500, ChiSquare = 5.6771e-01 1.M35 HG3 = 2.57(D), Expected = 2.39, Std = 0.3800, ChiSquare = 6.3572e-01 1.M35 HE1 = 2.42(D), Expected = 1.89, Std = 0.4600, ChiSquare = 2.4925e-01 1.M35 HE2 = 2.42(D), Expected = 1.89, Std = 0.4600, ChiSquare = 2.4925e-01 1.M35 HE3 = 2.42(D), Expected = 1.89, Std = 0.4600, ChiSquare = 2.4925e-01 1.P36 C = 176.91(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.1561e-01 1.P36 CA = 62.45(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.6262e-01 1.P36 CB = 32.02(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.8545e-01 1.P36 CG = 27.66(D), Expected = 27.17, Std = 1.0900, ChiSquare = 6.5304e-01 1.P36 CD = 50.81(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.2064e-01 1.P36 HA = 4.43(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.2757e-01 1.P36 HB2 = 2.41(D), Expected = 2.08, Std = 0.3500, ChiSquare = 3.4575e-01 1.P36 HB3 = 1.77(D), Expected = 2.00, Std = 0.3600, ChiSquare = 5.2290e-01 1.P36 HG2 = 2.10(D), Expected = 1.93, Std = 0.3100, ChiSquare = 5.8343e-01 1.P36 HG3 = 2.05(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.4944e-01 1.P36 HD2 = 3.92(D), Expected = 3.65, Std = 0.3500, ChiSquare = 4.4045e-01 1.P36 HD3 = 3.66(D), Expected = 3.61, Std = 0.3900, ChiSquare = 8.9799e-01 1.E37 C = 176.32(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.7790e-01 1.E37 CA = 58.74(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.9687e-01 1.E37 CB = 30.29(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.7068e-01 1.E37 CG = 37.42(D), Expected = 36.11, Std = 1.1900, ChiSquare = 2.7097e-01 1.E37 HA = 3.94(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.4959e-01 1.E37 HB2 = 1.96(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.7510e-01 1.E37 HB3 = 1.96(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.9622e-01 1.E37 HG2 = 2.39(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.6771e-01 1.E37 HG3 = 2.16(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.8247e-01 1.N38 C = 174.80(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.9288e-01 1.N38 CA = 55.67(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.5722e-01 1.N38 CB = 36.70(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.3899e-01 1.N38 HA = 4.58(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.0259e-01 1.N38 HB2 = 3.19(D), Expected = 2.81, Std = 0.3100, ChiSquare = 2.2027e-01 1.N38 HB3 = 3.05(D), Expected = 2.75, Std = 0.3300, ChiSquare = 3.6330e-01 1.S39 C = 172.23(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.6467e-01 1.S39 CA = 58.51(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.1919e-01 1.S39 CB = 62.54(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.9457e-01 1.S39 HA = 4.83(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.8157e-01 1.S39 HB2 = 4.10(D), Expected = 3.88, Std = 0.2500, ChiSquare = 3.7886e-01 1.S39 HB3 = 3.95(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.1111e-01 1.P40 C = 173.04(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.4012e-02 1.P40 CA = 64.00(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.5937e-01 1.P40 CB = 31.94(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.3920e-01 1.P40 CG = 28.52(D), Expected = 27.17, Std = 1.0900, ChiSquare = 2.1552e-01 1.P40 CD = 50.02(D), Expected = 50.32, Std = 0.9900, ChiSquare = 7.6187e-01 1.P40 HA = 3.71(D), Expected = 4.40, Std = 0.3300, ChiSquare = 3.6536e-02 1.P40 HB2 = 1.34(D), Expected = 2.08, Std = 0.3500, ChiSquare = 3.4491e-02 1.P40 HB3 = 1.18(D), Expected = 2.00, Std = 0.3600, ChiSquare = 2.2740e-02 1.P40 HG2 = 2.12(D), Expected = 1.93, Std = 0.3100, ChiSquare = 5.3994e-01 1.P40 HG3 = 1.88(D), Expected = 1.90, Std = 0.3300, ChiSquare = 9.5167e-01 1.P40 HD2 = 3.99(D), Expected = 3.65, Std = 0.3500, ChiSquare = 3.3134e-01 1.P40 HD3 = 3.78(D), Expected = 3.61, Std = 0.3900, ChiSquare = 6.6291e-01 1.V41 C = 174.51(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.5908e-01 1.V41 CA = 60.55(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.9757e-01 1.V41 CB = 34.56(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.0662e-01 1.V41 CG1 = 20.99(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.1314e-01 1.V41 CG2 = 21.03(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.8279e-01 1.V41 HA = 3.32(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.3361e-01 1.V41 HB = 1.25(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.2534e-02 1.V41 HG11 = 0.98(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.6399e-01 1.V41 HG12 = 0.98(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.6399e-01 1.V41 HG13 = 0.98(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.6399e-01 1.V41 HG21 = 0.95(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.9216e-01 1.V41 HG22 = 0.95(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.9216e-01 1.V41 HG23 = 0.95(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.9216e-01 1.Y42 C = 173.42(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.1975e-01 1.Y42 CA = 54.90(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.9815e-01 1.Y42 CB = 40.04(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.3888e-01 1.Y42 CD1 = 133.35(D), Expected = 132.77, Std = 1.1700, ChiSquare = 6.2009e-01 1.Y42 CD2 = 133.35(D), Expected = 132.73, Std = 1.3000, ChiSquare = 6.3342e-01 1.Y42 CE1 = 116.62(D), Expected = 117.93, Std = 1.1900, ChiSquare = 2.7097e-01 1.Y42 CE2 = 116.62(D), Expected = 117.90, Std = 1.1800, ChiSquare = 2.7803e-01 1.Y42 H = 5.04(S), Expected = 8.32, Std = 0.7300, ChiSquare = 7.0177e-06 1.Y42 HA = 4.76(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.1643e-01 1.Y42 HB2 = 2.23(D), Expected = 2.91, Std = 0.3700, ChiSquare = 6.6086e-02 1.Y42 HB3 = 1.72(D), Expected = 2.84, Std = 0.3900, ChiSquare = 4.0815e-03 1.Y42 HD1 = 5.45(S), Expected = 6.93, Std = 0.3000, ChiSquare = 8.0838e-07 1.Y42 HD2 = 5.45(S), Expected = 6.93, Std = 0.3000, ChiSquare = 8.0838e-07 1.Y42 HE1 = 6.23(D), Expected = 6.70, Std = 0.2300, ChiSquare = 4.1005e-02 1.Y42 HE2 = 6.23(D), Expected = 6.71, Std = 0.2300, ChiSquare = 3.6892e-02 1.S43 C = 179.72(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.0257e-03 1.S43 CA = 58.51(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.1919e-01 1.S43 CB = 62.90(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.4312e-01 1.S43 HA = 4.20(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.8393e-01 1.S43 HB2 = 4.00(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.3123e-01 1.S43 HB3 = 3.58(D), Expected = 3.85, Std = 0.2700, ChiSquare = 3.1731e-01 1.L44 C = 175.42(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.2782e-01 1.L44 CA = 56.07(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.3268e-01 1.L44 CB = 42.73(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.2322e-01 1.L44 CG = 27.79(D), Expected = 26.78, Std = 1.1000, ChiSquare = 3.5852e-01 1.L44 CD1 = 26.52(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.5760e-01 1.L44 CD2 = 24.15(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.5309e-01 1.L44 HA = 4.62(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.2328e-01 1.L44 HB2 = 2.05(D), Expected = 1.61, Std = 0.3400, ChiSquare = 1.9562e-01 1.L44 HB3 = 1.78(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.7016e-01 1.L44 HG = 2.21(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.3904e-02 1.L44 HD11 = 0.47(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.1731e-01 1.L44 HD12 = 0.47(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.1731e-01 1.L44 HD13 = 0.47(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.1731e-01 1.L44 HD21 = 0.99(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6996e-01 1.L44 HD22 = 0.99(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6996e-01 1.L44 HD23 = 0.99(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6996e-01 1.T45 C = 172.14(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.7268e-01 1.T45 CA = 59.43(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.8138e-01 1.T45 CB = 71.70(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.2682e-01 1.T45 CG2 = 19.72(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.9220e-02 1.T45 HA = 4.94(D), Expected = 4.46, Std = 0.4800, ChiSquare = 3.1731e-01 1.T45 HB = 3.79(D), Expected = 4.17, Std = 0.3300, ChiSquare = 2.4952e-01 1.T45 HG21 = 0.93(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.6122e-01 1.T45 HG22 = 0.93(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.6122e-01 1.T45 HG23 = 0.93(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.6122e-01 1.D46 C = 178.77(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.7564e-01 1.D46 CA = 54.30(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.4765e-01 1.D46 CB = 40.24(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.9280e-01 1.D46 HA = 5.16(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.4872e-02 1.D46 HB2 = 2.71(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.6932e-01 1.D46 HB3 = 2.79(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.4244e-01 1.G47 C = 171.40(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.8890e-01 1.G47 CA = 47.03(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.0994e-01 1.G47 HA2 = 4.06(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.0782e-01 1.G47 HA3 = 4.72(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.6677e-02 1.T48 C = 173.47(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.4322e-01 1.T48 CA = 61.17(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.8518e-01 1.T48 CB = 71.97(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.6937e-01 1.T48 CG2 = 21.60(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.6407e-01 1.T48 HA = 5.03(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.3503e-01 1.T48 HB = 3.84(D), Expected = 4.17, Std = 0.3300, ChiSquare = 3.1731e-01 1.T48 HG21 = 1.11(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.9622e-01 1.T48 HG22 = 1.11(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.9622e-01 1.T48 HG23 = 1.11(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.9622e-01 1.V49 C = 175.87(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.9532e-01 1.V49 CA = 62.94(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.7497e-01 1.V49 CB = 31.03(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.4225e-01 1.V49 CG1 = 21.51(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.8827e-01 1.V49 CG2 = 22.84(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.1115e-01 1.V49 HA = 4.30(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.4958e-01 1.V49 HB = 2.48(D), Expected = 1.98, Std = 0.3200, ChiSquare = 1.1817e-01 1.V49 HG11 = 0.89(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.1749e-01 1.V49 HG12 = 0.89(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.1749e-01 1.V49 HG13 = 0.89(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.1749e-01 1.V49 HG21 = 0.77(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.1468e-01 1.V49 HG22 = 0.77(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.1468e-01 1.V49 HG23 = 0.77(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.1468e-01 1.V50 C = 175.64(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.9160e-01 1.V50 CA = 62.07(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.8325e-01 1.V50 CB = 32.77(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.8217e-01 1.V50 CG1 = 22.03(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.9132e-01 1.V50 CG2 = 20.53(D), Expected = 21.26, Std = 1.5600, ChiSquare = 6.3982e-01 1.V50 HA = 4.58(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.0132e-01 1.V50 HB = 2.29(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.3267e-01 1.V50 HG11 = 1.08(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.3628e-01 1.V50 HG12 = 1.08(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.3628e-01 1.V50 HG13 = 1.08(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.3628e-01 1.V50 HG21 = 1.04(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9137e-01 1.V50 HG22 = 1.04(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9137e-01 1.V50 HG23 = 1.04(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9137e-01 1.Q51 C = 172.64(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.9829e-02 1.Q51 CA = 55.85(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.3653e-01 1.Q51 CB = 30.35(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.2389e-01 1.Q51 CG = 32.76(D), Expected = 33.76, Std = 1.1100, ChiSquare = 3.6764e-01 1.Q51 HA = 4.46(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.6587e-01 1.Q51 HB2 = 2.23(D), Expected = 2.05, Std = 0.2500, ChiSquare = 4.7153e-01 1.Q51 HB3 = 2.00(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.4306e-01 1.Q51 HG2 = 2.42(D), Expected = 2.32, Std = 0.2700, ChiSquare = 7.1111e-01 1.Q51 HG3 = 2.42(D), Expected = 2.29, Std = 0.2900, ChiSquare = 6.5395e-01 1.A52 C = 174.48(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.2589e-01 1.A52 CA = 52.25(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.5307e-01 1.A52 CB = 20.37(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.5738e-01 1.A52 HA = 5.16(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.0810e-02 1.A52 HB1 = 1.32(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0814e-01 1.A52 HB2 = 1.32(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0814e-01 1.A52 HB3 = 1.32(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0814e-01 1.G53 C = 172.07(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.3834e-01 1.G53 CA = 44.83(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.9797e-01 1.G53 HA2 = 4.04(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.4994e-01 1.G53 HA3 = 4.53(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.8624e-02 1.W54 C = 176.56(D), Expected = 176.12, Std = 2.0100, ChiSquare = 8.2672e-01 1.W54 CA = 58.21(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.3119e-01 1.W54 CB = 29.55(D), Expected = 30.01, Std = 2.0100, ChiSquare = 8.1898e-01 1.W54 CD1 = 127.75(D), Expected = 126.51, Std = 1.8300, ChiSquare = 4.9803e-01 1.W54 CE3 = 121.37(D), Expected = 120.43, Std = 1.7900, ChiSquare = 5.9949e-01 1.W54 CZ2 = 114.60(D), Expected = 114.26, Std = 1.1200, ChiSquare = 7.6145e-01 1.W54 CZ3 = 121.28(D), Expected = 121.35, Std = 1.5300, ChiSquare = 9.6351e-01 1.W54 CH2 = 123.93(D), Expected = 123.86, Std = 1.4200, ChiSquare = 9.6068e-01 1.W54 HA = 4.44(D), Expected = 4.68, Std = 0.5300, ChiSquare = 6.5067e-01 1.W54 HB2 = 3.23(D), Expected = 3.19, Std = 0.3500, ChiSquare = 9.0901e-01 1.W54 HB3 = 3.04(D), Expected = 3.12, Std = 0.3600, ChiSquare = 8.2414e-01 1.W54 HD1 = 6.92(D), Expected = 7.14, Std = 0.3600, ChiSquare = 5.4113e-01 1.W54 HE3 = 7.56(D), Expected = 7.31, Std = 0.4100, ChiSquare = 5.4202e-01 1.W54 HZ2 = 7.51(D), Expected = 7.28, Std = 0.3300, ChiSquare = 4.8582e-01 1.W54 HZ3 = 7.05(D), Expected = 6.86, Std = 0.4000, ChiSquare = 6.3479e-01 1.W54 HH2 = 7.32(D), Expected = 6.98, Std = 0.3900, ChiSquare = 3.8332e-01 1.S55 C = 174.25(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.2968e-01 1.S55 CA = 55.60(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.3175e-01 1.S55 CB = 63.90(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.4613e-01 1.S55 HA = 4.40(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.4148e-01 1.S55 HB2 = 3.19(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.7801e-03 1.S55 HB3 = 3.42(D), Expected = 3.85, Std = 0.2700, ChiSquare = 1.1125e-01 1.N56 C = 175.29(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.9109e-01 1.N56 CA = 53.96(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.2322e-01 1.N56 CB = 38.46(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.9175e-01 1.N56 HA = 4.70(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.3359e-01 1.N56 HB2 = 2.65(D), Expected = 2.81, Std = 0.3100, ChiSquare = 6.0576e-01 1.N56 HB3 = 2.26(D), Expected = 2.75, Std = 0.3300, ChiSquare = 1.3758e-01 1.Y57 C = 175.64(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.0401e-01 1.Y57 CA = 57.68(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.5772e-01 1.Y57 CB = 38.16(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.9124e-01 1.Y57 CD1 = 133.19(D), Expected = 132.77, Std = 1.1700, ChiSquare = 7.1961e-01 1.Y57 CD2 = 133.19(D), Expected = 132.73, Std = 1.3000, ChiSquare = 7.2345e-01 1.Y57 CE1 = 118.34(D), Expected = 117.93, Std = 1.1900, ChiSquare = 7.3044e-01 1.Y57 CE2 = 118.34(D), Expected = 117.90, Std = 1.1800, ChiSquare = 7.0924e-01 1.Y57 HA = 4.64(D), Expected = 4.63, Std = 0.5600, ChiSquare = 9.8575e-01 1.Y57 HB2 = 3.30(D), Expected = 2.91, Std = 0.3700, ChiSquare = 2.9186e-01 1.Y57 HB3 = 2.41(D), Expected = 2.84, Std = 0.3900, ChiSquare = 2.7022e-01 1.Y57 HD1 = 7.03(D), Expected = 6.93, Std = 0.3000, ChiSquare = 7.3888e-01 1.Y57 HD2 = 7.03(D), Expected = 6.93, Std = 0.3000, ChiSquare = 7.3888e-01 1.Y57 HE1 = 6.83(D), Expected = 6.70, Std = 0.2300, ChiSquare = 5.7193e-01 1.Y57 HE2 = 6.83(D), Expected = 6.71, Std = 0.2300, ChiSquare = 6.0185e-01 1.G58 CA = 45.88(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.9246e-01 1.G58 HA2 = 3.55(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.5632e-01 1.G58 HA3 = 4.47(D), Expected = 3.90, Std = 0.3700, ChiSquare = 1.2343e-01 1.G59 CA = 45.78(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.4829e-01 1.G59 HA2 = 3.55(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.5632e-01 1.G59 HA3 = 3.35(D), Expected = 3.90, Std = 0.3700, ChiSquare = 1.3715e-01 1.N61 CA = 54.30(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.8602e-01 1.N61 CB = 37.61(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.2279e-01 1.N61 HA = 4.70(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.3359e-01 1.N61 HB2 = 3.00(D), Expected = 2.81, Std = 0.3100, ChiSquare = 5.3994e-01 1.N61 HB3 = 2.03(D), Expected = 2.75, Std = 0.3300, ChiSquare = 2.9123e-02 1.Q62 C = 173.26(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.1779e-01 1.Q62 CA = 53.94(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.1908e-01 1.Q62 CB = 34.54(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.2868e-03 1.Q62 CG = 33.56(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.5701e-01 1.Q62 HA = 5.21(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.2650e-02 1.Q62 HB2 = 1.66(D), Expected = 2.05, Std = 0.2500, ChiSquare = 1.1876e-01 1.Q62 HB3 = 1.66(D), Expected = 2.02, Std = 0.2800, ChiSquare = 1.9854e-01 1.Q62 HG2 = 2.05(D), Expected = 2.32, Std = 0.2700, ChiSquare = 3.1731e-01 1.Q62 HG3 = 1.74(D), Expected = 2.29, Std = 0.2900, ChiSquare = 5.7887e-02 1.Q62 HE21 = 5.53(S), Expected = 7.24, Std = 0.4500, ChiSquare = 1.4470e-04 1.Q62 HE22 = 5.09(S), Expected = 7.02, Std = 0.4400, ChiSquare = 1.1526e-05 1.Q62 NE2 = 104.88(S), Expected = 111.87, Std = 1.7200, ChiSquare = 4.8248e-05 1.Q62 SRO Rule Break>> HE22 > HA : 0.997619047619048 1.V63 C = 175.45(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.2871e-01 1.V63 CA = 61.19(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.4944e-01 1.V63 CB = 35.59(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.1010e-01 1.V63 CG1 = 23.07(D), Expected = 21.49, Std = 1.3600, ChiSquare = 2.4533e-01 1.V63 CG2 = 22.81(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.2042e-01 1.V63 HA = 4.76(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.2573e-01 1.V63 HB = 1.92(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.5127e-01 1.V63 HG11 = 0.95(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4441e-01 1.V63 HG12 = 0.95(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4441e-01 1.V63 HG13 = 0.95(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4441e-01 1.V63 HG21 = 1.07(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.3490e-01 1.V63 HG22 = 1.07(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.3490e-01 1.V63 HG23 = 1.07(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.3490e-01 1.T64 C = 174.88(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.4682e-01 1.T64 CA = 61.06(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.5424e-01 1.T64 CB = 69.82(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.5597e-01 1.T64 CG2 = 20.77(D), Expected = 21.55, Std = 1.1100, ChiSquare = 4.8224e-01 1.T64 HA = 6.20(S), Expected = 4.46, Std = 0.4800, ChiSquare = 2.8896e-04 1.T64 HB = 4.37(D), Expected = 4.17, Std = 0.3300, ChiSquare = 5.4447e-01 1.T64 HG21 = 1.33(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0876e-01 1.T64 HG22 = 1.33(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0876e-01 1.T64 HG23 = 1.33(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0876e-01 1.I65 C = 174.61(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.1839e-01 1.I65 CA = 59.59(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.5101e-01 1.I65 CB = 43.09(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.7250e-02 1.I65 CG1 = 29.64(D), Expected = 27.71, Std = 1.6800, ChiSquare = 2.5063e-01 1.I65 CG2 = 17.33(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.8309e-01 1.I65 CD1 = 13.99(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.3738e-01 1.I65 HA = 5.03(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.2905e-01 1.I65 HB = 1.74(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.9030e-01 1.I65 HG12 = 0.99(D), Expected = 1.28, Std = 0.4000, ChiSquare = 4.6845e-01 1.I65 HG13 = 1.79(D), Expected = 1.19, Std = 0.4100, ChiSquare = 1.4335e-01 1.I65 HG21 = 0.57(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.5885e-01 1.I65 HG22 = 0.57(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.5885e-01 1.I65 HG23 = 0.57(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.5885e-01 1.I65 HD11 = 0.96(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.3429e-01 1.I65 HD12 = 0.96(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.3429e-01 1.I65 HD13 = 0.96(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.3429e-01 1.K66 C = 176.71(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.7208e-01 1.K66 CA = 54.74(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.1512e-01 1.K66 CB = 34.98(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.1857e-01 1.K66 CG = 24.09(D), Expected = 24.89, Std = 1.1300, ChiSquare = 4.7897e-01 1.K66 CD = 29.55(D), Expected = 28.96, Std = 1.0800, ChiSquare = 5.8486e-01 1.K66 HA = 4.52(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.6991e-01 1.K66 HB2 = 1.49(D), Expected = 1.78, Std = 0.2500, ChiSquare = 2.4605e-01 1.K66 HB3 = 1.78(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.8223e-01 1.K66 HG2 = 0.49(S), Expected = 1.37, Std = 0.2600, ChiSquare = 7.1278e-04 1.K66 HG3 = 1.18(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.4376e-01 1.K66 HD2 = 1.50(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.1707e-01 1.K66 HD3 = 1.62(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.2757e-01 1.E67 C = 177.46(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.6222e-01 1.E67 CA = 57.23(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.6565e-01 1.E67 CB = 28.62(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.1901e-01 1.E67 CG = 35.96(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.9969e-01 1.E67 HA = 3.99(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.2599e-01 1.E67 HB2 = 1.96(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.7510e-01 1.E67 HB3 = 1.96(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.9622e-01 1.E67 HG2 = 2.35(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.0324e-01 1.E67 HG3 = 1.88(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.2604e-02 1.A68 C = 177.67(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.7378e-01 1.A68 CA = 53.31(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.3158e-01 1.A68 CB = 19.16(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.3467e-01 1.A68 HA = 4.11(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.3317e-01 1.A68 HB1 = 1.24(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.7224e-01 1.A68 HB2 = 1.24(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.7224e-01 1.A68 HB3 = 1.24(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.7224e-01 1.N69 C = 174.08(D), Expected = 175.27, Std = 1.7900, ChiSquare = 5.0618e-01 1.N69 CA = 53.95(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.2736e-01 1.N69 CB = 37.75(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.7807e-01 1.N69 HA = 4.43(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.0499e-01 1.N69 HB2 = 2.98(D), Expected = 2.81, Std = 0.3100, ChiSquare = 5.8343e-01 1.N69 HB3 = 2.84(D), Expected = 2.75, Std = 0.3300, ChiSquare = 7.8506e-01 1.S70 C = 172.25(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.6823e-01 1.S70 CA = 57.88(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.8489e-01 1.S70 CB = 66.51(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.7089e-02 1.S70 HA = 4.76(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.8393e-01 1.S70 HB2 = 3.77(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.5994e-01 1.S70 HB3 = 3.72(D), Expected = 3.85, Std = 0.2700, ChiSquare = 6.3017e-01 1.N71 C = 173.38(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.9103e-01 1.N71 CA = 51.73(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.3567e-01 1.N71 CB = 38.05(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.0491e-01 1.N71 HA = 4.78(D), Expected = 4.67, Std = 0.3600, ChiSquare = 7.5994e-01 1.N71 HB2 = 2.52(D), Expected = 2.81, Std = 0.3100, ChiSquare = 3.4954e-01 1.N71 HB3 = 2.92(D), Expected = 2.75, Std = 0.3300, ChiSquare = 6.0645e-01 1.N72 C = 173.78(D), Expected = 175.27, Std = 1.7900, ChiSquare = 4.0518e-01 1.N72 CA = 51.75(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.4103e-01 1.N72 CB = 40.56(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.6851e-01 1.N72 HA = 5.58(D), Expected = 4.67, Std = 0.3600, ChiSquare = 1.1479e-02 1.N72 HB2 = 2.39(D), Expected = 2.81, Std = 0.3100, ChiSquare = 1.7547e-01 1.N72 HB3 = 2.47(D), Expected = 2.75, Std = 0.3300, ChiSquare = 3.9617e-01 1.Y73 C = 174.31(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.8387e-01 1.Y73 CA = 56.02(D), Expected = 58.13, Std = 2.5100, ChiSquare = 4.0055e-01 1.Y73 CB = 43.82(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.7221e-02 1.Y73 CD1 = 133.00(D), Expected = 132.77, Std = 1.1700, ChiSquare = 8.4416e-01 1.Y73 CD2 = 133.00(D), Expected = 132.73, Std = 1.3000, ChiSquare = 8.3547e-01 1.Y73 CE1 = 117.25(D), Expected = 117.93, Std = 1.1900, ChiSquare = 5.6771e-01 1.Y73 CE2 = 117.25(D), Expected = 117.90, Std = 1.1800, ChiSquare = 5.8174e-01 1.Y73 HA = 5.53(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.0802e-01 1.Y73 HB2 = 2.26(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.8959e-02 1.Y73 HB3 = 2.44(D), Expected = 2.84, Std = 0.3900, ChiSquare = 3.0506e-01 1.Y73 HD1 = 6.50(D), Expected = 6.93, Std = 0.3000, ChiSquare = 1.5176e-01 1.Y73 HD2 = 6.50(D), Expected = 6.93, Std = 0.3000, ChiSquare = 1.5176e-01 1.Y73 HE1 = 6.42(D), Expected = 6.70, Std = 0.2300, ChiSquare = 2.2346e-01 1.Y73 HE2 = 6.42(D), Expected = 6.71, Std = 0.2300, ChiSquare = 2.0736e-01 1.Q74 C = 175.78(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.8578e-01 1.Q74 CA = 53.31(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.2767e-01 1.Q74 CB = 33.39(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.1016e-02 1.Q74 CG = 33.58(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.7118e-01 1.Q74 HA = 5.34(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.5023e-02 1.Q74 HB2 = 2.09(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.7288e-01 1.Q74 HB3 = 2.09(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.0259e-01 1.Q74 HG2 = 2.56(D), Expected = 2.32, Std = 0.2700, ChiSquare = 3.7406e-01 1.Q74 HG3 = 2.24(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.6311e-01 1.Q74 HE21 = 8.75(S), Expected = 7.24, Std = 0.4500, ChiSquare = 7.9206e-04 1.W75 C = 175.18(D), Expected = 176.12, Std = 2.0100, ChiSquare = 6.4003e-01 1.W75 CA = 53.44(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.0191e-01 1.W75 CB = 34.34(D), Expected = 30.01, Std = 2.0100, ChiSquare = 3.1222e-02 1.W75 CD1 = 125.41(D), Expected = 126.51, Std = 1.8300, ChiSquare = 5.4778e-01 1.W75 CZ2 = 114.54(D), Expected = 114.26, Std = 1.1200, ChiSquare = 8.0259e-01 1.W75 CH2 = 124.07(D), Expected = 123.86, Std = 1.4200, ChiSquare = 8.8243e-01 1.W75 HA = 6.15(D), Expected = 4.68, Std = 0.5300, ChiSquare = 5.5442e-03 1.W75 HB2 = 2.99(D), Expected = 3.19, Std = 0.3500, ChiSquare = 5.6771e-01 1.W75 HB3 = 3.12(D), Expected = 3.12, Std = 0.3600, ChiSquare = 1.0000e+00 1.W75 HD1 = 7.57(D), Expected = 7.14, Std = 0.3600, ChiSquare = 2.3230e-01 1.W75 HZ2 = 7.10(D), Expected = 7.28, Std = 0.3300, ChiSquare = 5.8544e-01 1.W75 HZ3 = 6.93(D), Expected = 6.86, Std = 0.4000, ChiSquare = 8.6108e-01 1.W75 HH2 = 6.88(D), Expected = 6.98, Std = 0.3900, ChiSquare = 7.9763e-01 1.Y76 C = 177.38(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.1975e-01 1.Y76 CA = 57.06(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.6989e-01 1.Y76 CB = 38.98(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.7492e-01 1.Y76 CD1 = 132.70(D), Expected = 132.77, Std = 1.1700, ChiSquare = 9.5229e-01 1.Y76 CD2 = 132.70(D), Expected = 132.73, Std = 1.3000, ChiSquare = 9.8159e-01 1.Y76 CE1 = 121.04(D), Expected = 117.93, Std = 1.1900, ChiSquare = 8.9634e-03 1.Y76 CE2 = 121.04(D), Expected = 117.90, Std = 1.1800, ChiSquare = 7.7905e-03 1.Y76 HA = 5.34(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.0485e-01 1.Y76 HB2 = 3.37(D), Expected = 2.91, Std = 0.3700, ChiSquare = 2.1378e-01 1.Y76 HB3 = 3.00(D), Expected = 2.84, Std = 0.3900, ChiSquare = 6.8162e-01 1.Y76 HD1 = 7.24(D), Expected = 6.93, Std = 0.3000, ChiSquare = 3.0145e-01 1.Y76 HD2 = 7.24(D), Expected = 6.93, Std = 0.3000, ChiSquare = 3.0145e-01 1.Y76 HE1 = 7.17(D), Expected = 6.70, Std = 0.2300, ChiSquare = 4.1005e-02 1.Y76 HE2 = 7.17(D), Expected = 6.71, Std = 0.2300, ChiSquare = 4.5500e-02 1.M77 C = 176.31(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.5040e-01 1.M77 CA = 56.05(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.7853e-01 1.M77 CB = 37.32(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.3232e-02 1.M77 CG = 32.40(D), Expected = 32.01, Std = 1.2400, ChiSquare = 7.5313e-01 1.M77 CE = 18.42(D), Expected = 17.07, Std = 1.5800, ChiSquare = 3.9287e-01 1.M77 HA = 4.61(D), Expected = 4.41, Std = 0.4800, ChiSquare = 6.7692e-01 1.M77 HB2 = 1.27(D), Expected = 2.03, Std = 0.3400, ChiSquare = 2.5398e-02 1.M77 HB3 = 1.50(D), Expected = 1.99, Std = 0.3400, ChiSquare = 1.4953e-01 1.M77 HG2 = 2.24(D), Expected = 2.42, Std = 0.3500, ChiSquare = 6.0705e-01 1.M77 HG3 = 2.11(D), Expected = 2.39, Std = 0.3800, ChiSquare = 4.6122e-01 1.M77 HE1 = 1.31(D), Expected = 1.89, Std = 0.4600, ChiSquare = 2.0736e-01 1.M77 HE2 = 1.31(D), Expected = 1.89, Std = 0.4600, ChiSquare = 2.0736e-01 1.M77 HE3 = 1.31(D), Expected = 1.89, Std = 0.4600, ChiSquare = 2.0736e-01 1.H78 CA = 57.53(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.6194e-01 1.H78 CB = 25.07(D), Expected = 30.24, Std = 2.0700, ChiSquare = 1.2504e-02 1.H78 HA = 4.35(D), Expected = 4.61, Std = 0.4300, ChiSquare = 5.4541e-01 1.H78 HB2 = 3.15(D), Expected = 3.10, Std = 0.3600, ChiSquare = 8.8954e-01 1.H78 HB3 = 3.85(D), Expected = 3.04, Std = 0.3800, ChiSquare = 3.3041e-02 1.N79 C = 176.85(D), Expected = 175.27, Std = 1.7900, ChiSquare = 3.7741e-01 1.N79 CA = 55.15(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.9179e-01 1.N79 CB = 39.56(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.0670e-01 1.N79 HA = 4.72(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.8954e-01 1.N79 HB2 = 2.85(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.9733e-01 1.N79 HB3 = 2.33(D), Expected = 2.75, Std = 0.3300, ChiSquare = 2.0311e-01 1.N79 HD22 = 5.36(S), Expected = 7.14, Std = 0.4900, ChiSquare = 2.8052e-04 1.N80 C = 175.72(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.0151e-01 1.N80 CA = 54.49(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.1333e-01 1.N80 CB = 38.78(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.5753e-01 1.N80 HA = 5.16(D), Expected = 4.67, Std = 0.3600, ChiSquare = 1.7348e-01 1.N80 HB2 = 2.86(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.7186e-01 1.N80 HB3 = 2.86(D), Expected = 2.75, Std = 0.3300, ChiSquare = 7.3888e-01 1.R81 C = 173.88(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.1265e-01 1.R81 CA = 55.69(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.4012e-01 1.R81 CB = 33.35(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.4759e-01 1.R81 CG = 27.15(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.6012e-01 1.R81 CD = 43.58(D), Expected = 43.16, Std = 0.8800, ChiSquare = 6.3317e-01 1.R81 HA = 4.51(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.4801e-01 1.R81 HB2 = 1.83(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.8223e-01 1.R81 HB3 = 1.83(D), Expected = 1.76, Std = 0.2800, ChiSquare = 8.0259e-01 1.R81 HG2 = 1.57(D), Expected = 1.57, Std = 0.2700, ChiSquare = 1.0000e+00 1.R81 HG3 = 1.57(D), Expected = 1.54, Std = 0.2900, ChiSquare = 9.1761e-01 1.R81 HD2 = 3.00(D), Expected = 3.12, Std = 0.2400, ChiSquare = 6.1707e-01 1.R81 HD3 = 3.08(D), Expected = 3.10, Std = 0.2600, ChiSquare = 9.3868e-01 1.L82 C = 177.29(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.7957e-01 1.L82 CA = 53.67(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5993e-01 1.L82 CB = 43.11(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.7045e-01 1.L82 CG = 27.16(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.2975e-01 1.L82 CD1 = 23.94(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.2373e-01 1.L82 CD2 = 26.56(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.3982e-01 1.L82 HA = 4.93(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.9433e-01 1.L82 HB2 = 1.50(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.4629e-01 1.L82 HB3 = 2.07(D), Expected = 1.52, Std = 0.3600, ChiSquare = 1.2657e-01 1.L82 HG = 1.69(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.8544e-01 1.L82 HD11 = 0.70(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.5827e-01 1.L82 HD12 = 0.70(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.5827e-01 1.L82 HD13 = 0.70(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.5827e-01 1.L82 HD21 = 0.84(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0446e-01 1.L82 HD22 = 0.84(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0446e-01 1.L82 HD23 = 0.84(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0446e-01 1.T83 C = 173.50(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.5458e-01 1.T83 CA = 61.51(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.8398e-01 1.T83 CB = 67.73(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.1982e-01 1.T83 CG2 = 21.64(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.3538e-01 1.T83 HA = 4.57(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.1874e-01 1.T83 HB = 4.46(D), Expected = 4.17, Std = 0.3300, ChiSquare = 3.7952e-01 1.T83 HG21 = 0.74(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.2012e-02 1.T83 HG22 = 0.74(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.2012e-02 1.T83 HG23 = 0.74(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.2012e-02 1.V84 C = 174.04(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.0565e-01 1.V84 CA = 58.90(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.0939e-01 1.V84 CB = 36.57(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.1933e-02 1.V84 CG1 = 17.83(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.1201e-03 1.V84 CG2 = 22.74(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.4276e-01 1.V84 HA = 4.74(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.4299e-01 1.V84 HB = 2.33(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.7406e-01 1.V84 HG11 = 0.87(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.7773e-01 1.V84 HG12 = 0.87(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.7773e-01 1.V84 HG13 = 0.87(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.7773e-01 1.V84 HG21 = 1.03(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1140e-01 1.V84 HG22 = 1.03(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1140e-01 1.V84 HG23 = 1.03(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1140e-01 1.S85 C = 172.92(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.2297e-01 1.S85 CA = 56.78(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.4866e-01 1.S85 CB = 66.01(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.3537e-01 1.S85 HA = 4.72(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.4851e-01 1.S85 HB2 = 3.59(D), Expected = 3.88, Std = 0.2500, ChiSquare = 2.4605e-01 1.S85 HB3 = 3.83(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.4095e-01 1.A86 C = 178.01(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.9913e-01 1.A86 CA = 54.28(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.6478e-01 1.A86 CB = 17.59(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.3778e-01 1.A86 HA = 3.70(D), Expected = 4.26, Std = 0.4400, ChiSquare = 2.0311e-01 1.A86 HB1 = 1.35(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0000e+00 1.A86 HB2 = 1.35(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0000e+00 1.A86 HB3 = 1.35(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0000e+00 1.G87 C = 174.72(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.5118e-01 1.G87 CA = 44.63(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.9105e-01 1.G87 HA2 = 3.57(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.7966e-01 1.G87 HA3 = 4.52(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.3802e-02 1.D88 C = 175.40(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.6771e-01 1.D88 CA = 55.64(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.3980e-01 1.D88 CB = 40.81(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.6553e-01 1.D88 HA = 4.60(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.7507e-01 1.D88 HB2 = 2.80(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.5832e-01 1.D88 HB3 = 2.63(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.1468e-01 1.K89 C = 176.83(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.2432e-01 1.K89 CA = 55.72(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.7610e-01 1.K89 CB = 33.08(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.7058e-01 1.K89 CG = 25.13(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.3180e-01 1.K89 CD = 29.10(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.9686e-01 1.K89 HA = 4.92(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.3960e-01 1.K89 HB2 = 1.89(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.5994e-01 1.K89 HB3 = 1.83(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.3888e-01 1.K89 HG2 = 1.64(D), Expected = 1.37, Std = 0.2600, ChiSquare = 2.9906e-01 1.K89 HG3 = 1.52(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.4376e-01 1.K89 HD2 = 1.74(D), Expected = 1.61, Std = 0.2200, ChiSquare = 5.5458e-01 1.K89 HD3 = 1.74(D), Expected = 1.60, Std = 0.2200, ChiSquare = 5.2454e-01 1.V90 C = 175.27(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.5385e-01 1.V90 CA = 58.84(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.0188e-01 1.V90 CB = 35.96(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.1158e-02 1.V90 CG1 = 22.15(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.2747e-01 1.V90 CG2 = 18.42(D), Expected = 21.26, Std = 1.5600, ChiSquare = 6.8681e-02 1.V90 HA = 4.86(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.4802e-01 1.V90 HB = 2.17(D), Expected = 1.98, Std = 0.3200, ChiSquare = 5.5268e-01 1.V90 HG11 = 0.83(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.0000e+00 1.V90 HG12 = 0.83(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.0000e+00 1.V90 HG13 = 0.83(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.0000e+00 1.V90 HG21 = 0.73(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.0259e-01 1.V90 HG22 = 0.73(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.0259e-01 1.V90 HG23 = 0.73(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.0259e-01 1.K91 C = 176.58(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.7607e-01 1.K91 CA = 53.37(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.0368e-01 1.K91 CB = 34.23(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.1852e-01 1.K91 CG = 24.55(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.6350e-01 1.K91 CD = 28.57(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.1802e-01 1.K91 HA = 4.91(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.4579e-01 1.K91 HB2 = 1.71(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.7948e-01 1.K91 HB3 = 1.71(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.1153e-01 1.K91 HG2 = 1.45(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.5832e-01 1.K91 HG3 = 1.45(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.2098e-01 1.K91 HD2 = 1.69(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.1613e-01 1.K91 HD3 = 1.69(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.8247e-01 1.A92 CA = 53.99(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.6771e-01 1.A92 CB = 17.76(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.9457e-01 1.A92 HA = 3.52(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.2604e-02 1.A92 HB1 = 1.18(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.1321e-01 1.A92 HB2 = 1.18(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.1321e-01 1.A92 HB3 = 1.18(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.1321e-01 1.G93 C = 174.18(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.6903e-01 1.G93 CA = 45.16(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.8725e-01 1.G93 HA2 = 4.38(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.6782e-01 1.G93 HA3 = 3.37(D), Expected = 3.90, Std = 0.3700, ChiSquare = 1.5202e-01 1.D94 C = 176.93(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.6200e-01 1.D94 CA = 54.62(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.7249e-01 1.D94 CB = 40.64(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.8223e-01 1.D94 H = 8.42(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.4958e-01 1.D94 HA = 4.68(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.7852e-01 1.D94 HB2 = 2.77(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.4750e-01 1.D94 HB3 = 2.61(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.5827e-01 1.Q95 C = 175.90(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.3347e-01 1.Q95 CA = 57.66(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.1051e-01 1.Q95 CB = 27.14(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.6001e-01 1.Q95 CG = 32.98(D), Expected = 33.76, Std = 1.1100, ChiSquare = 4.8224e-01 1.Q95 HA = 3.88(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.7542e-01 1.Q95 HB2 = 1.76(D), Expected = 2.05, Std = 0.2500, ChiSquare = 2.4605e-01 1.Q95 HB3 = 1.76(D), Expected = 2.02, Std = 0.2800, ChiSquare = 3.5311e-01 1.Q95 HG2 = 2.00(D), Expected = 2.32, Std = 0.2700, ChiSquare = 2.3594e-01 1.Q95 HG3 = 1.67(D), Expected = 2.29, Std = 0.2900, ChiSquare = 3.2522e-02 1.Q95 HE21 = 5.41(S), Expected = 7.24, Std = 0.4500, ChiSquare = 4.7690e-05 1.Q95 HE22 = 4.33(S), Expected = 7.02, Std = 0.4400, ChiSquare = 9.7386e-10 1.Q95 NE2 = 103.19(S), Expected = 111.87, Std = 1.7200, ChiSquare = 4.4995e-07 1.I96 C = 175.59(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.9228e-01 1.I96 CA = 61.06(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.3740e-01 1.I96 CB = 39.96(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.1027e-01 1.I96 CG1 = 25.39(D), Expected = 27.71, Std = 1.6800, ChiSquare = 1.6729e-01 1.I96 CG2 = 17.71(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.9471e-01 1.I96 CD1 = 12.10(D), Expected = 13.43, Std = 1.6700, ChiSquare = 4.2580e-01 1.I96 HA = 4.50(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.6771e-01 1.I96 HB = 1.77(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.7249e-01 1.I96 HG12 = 0.65(D), Expected = 1.28, Std = 0.4000, ChiSquare = 1.1526e-01 1.I96 HG13 = 0.30(D), Expected = 1.19, Std = 0.4100, ChiSquare = 2.9951e-02 1.I96 HG21 = 0.67(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1111e-01 1.I96 HG22 = 0.67(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1111e-01 1.I96 HG23 = 0.67(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1111e-01 1.I96 HD11 = -0.23(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.7014e-03 1.I96 HD12 = -0.23(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.7014e-03 1.I96 HD13 = -0.23(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.7014e-03 1.A97 C = 175.56(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.0608e-01 1.A97 CA = 51.97(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.5458e-01 1.A97 CB = 22.14(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.7195e-02 1.A97 HA = 4.78(D), Expected = 4.26, Std = 0.4400, ChiSquare = 2.3728e-01 1.A97 HB1 = 1.17(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8874e-01 1.A97 HB2 = 1.17(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8874e-01 1.A97 HB3 = 1.17(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8874e-01 1.Y98 C = 176.35(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.3309e-01 1.Y98 CA = 57.86(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.1434e-01 1.Y98 CB = 40.92(D), Expected = 39.32, Std = 2.1600, ChiSquare = 4.5885e-01 1.Y98 CD1 = 132.98(D), Expected = 132.77, Std = 1.1700, ChiSquare = 8.5756e-01 1.Y98 CD2 = 132.98(D), Expected = 132.73, Std = 1.3000, ChiSquare = 8.4750e-01 1.Y98 CE1 = 118.59(D), Expected = 117.93, Std = 1.1900, ChiSquare = 5.7915e-01 1.Y98 CE2 = 118.59(D), Expected = 117.90, Std = 1.1800, ChiSquare = 5.5872e-01 1.Y98 HA = 4.83(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.2098e-01 1.Y98 HB2 = 2.81(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.8695e-01 1.Y98 HB3 = 2.76(D), Expected = 2.84, Std = 0.3900, ChiSquare = 8.3747e-01 1.Y98 HD1 = 6.76(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.7094e-01 1.Y98 HD2 = 6.76(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.7094e-01 1.Y98 HE1 = 6.67(D), Expected = 6.70, Std = 0.2300, ChiSquare = 8.9622e-01 1.Y98 HE2 = 6.67(D), Expected = 6.71, Std = 0.2300, ChiSquare = 8.6193e-01 1.S99 C = 173.92(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.8402e-01 1.S99 CA = 60.51(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.8718e-01 1.S99 CB = 64.03(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.7650e-01 1.S99 H = 10.38(S), Expected = 8.28, Std = 0.5900, ChiSquare = 3.7181e-04 1.S99 HA = 4.67(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.3479e-01 1.S99 HB2 = 4.39(D), Expected = 3.88, Std = 0.2500, ChiSquare = 4.1350e-02 1.S99 HB3 = 3.75(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.1111e-01 1.G100 CA = 47.24(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.5841e-01 1.S101 CB = 65.04(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.0212e-01 1.S101 HB2 = 3.90(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.3624e-01 1.S101 HB3 = 3.90(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.5308e-01 1.T102 C = 175.93(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.2966e-01 1.T102 CA = 61.81(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.7422e-01 1.T102 CB = 71.77(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.1074e-01 1.T102 HA = 4.53(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.8405e-01 1.T102 HB = 4.61(D), Expected = 4.17, Std = 0.3300, ChiSquare = 1.8242e-01 1.T102 HG21 = 1.53(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.9952e-02 1.T102 HG22 = 1.53(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.9952e-02 1.T102 HG23 = 1.53(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.9952e-02 1.N104 CA = 52.51(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.8378e-01 1.N104 CB = 37.07(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.3777e-01 1.N104 HA = 4.83(D), Expected = 4.67, Std = 0.3600, ChiSquare = 6.5672e-01 1.N104 HB2 = 2.89(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.9636e-01 1.N104 HB3 = 2.94(D), Expected = 2.75, Std = 0.3300, ChiSquare = 5.6478e-01 1.T106 C = 173.87(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.0344e-01 1.T106 CA = 61.78(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.6510e-01 1.T106 CB = 69.73(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.0000e+00 1.T106 CG2 = 21.75(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.5701e-01 1.T106 HA = 4.40(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.0052e-01 1.T106 HB = 4.33(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.2778e-01 1.T106 HG21 = 1.16(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3071e-01 1.T106 HG22 = 1.16(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3071e-01 1.T106 HG23 = 1.16(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3071e-01 1.A107 C = 174.46(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.2358e-01 1.A107 CA = 50.21(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.3893e-01 1.A107 CB = 19.64(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.3065e-01 1.A107 HA = 4.83(D), Expected = 4.26, Std = 0.4400, ChiSquare = 1.9516e-01 1.A107 HB1 = 1.29(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.1749e-01 1.A107 HB2 = 1.29(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.1749e-01 1.A107 HB3 = 1.29(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.1749e-01 1.P108 C = 176.71(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.7887e-01 1.P108 CA = 64.14(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.9411e-01 1.P108 CB = 31.43(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.2189e-01 1.P108 CG = 27.97(D), Expected = 27.17, Std = 1.0900, ChiSquare = 4.6298e-01 1.P108 CD = 50.80(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.2778e-01 1.P108 HA = 4.52(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.1613e-01 1.P108 HB2 = 2.58(D), Expected = 2.08, Std = 0.3500, ChiSquare = 1.5313e-01 1.P108 HB3 = 2.18(D), Expected = 2.00, Std = 0.3600, ChiSquare = 6.1707e-01 1.P108 HG2 = 2.32(D), Expected = 1.93, Std = 0.3100, ChiSquare = 2.0837e-01 1.P108 HG3 = 2.06(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.2778e-01 1.P108 HD2 = 4.01(D), Expected = 3.65, Std = 0.3500, ChiSquare = 3.0368e-01 1.P108 HD3 = 3.72(D), Expected = 3.61, Std = 0.3900, ChiSquare = 7.7790e-01 1.H109 C = 172.28(D), Expected = 175.25, Std = 1.9700, ChiSquare = 1.3165e-01 1.H109 CA = 55.85(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.7178e-01 1.H109 CB = 29.84(D), Expected = 30.24, Std = 2.0700, ChiSquare = 8.4677e-01 1.H109 CD2 = 120.29(D), Expected = 120.49, Std = 3.4200, ChiSquare = 9.5337e-01 1.H109 HA = 5.36(D), Expected = 4.61, Std = 0.4300, ChiSquare = 8.1127e-02 1.H109 HB2 = 3.37(D), Expected = 3.10, Std = 0.3600, ChiSquare = 4.5325e-01 1.H109 HB3 = 3.09(D), Expected = 3.04, Std = 0.3800, ChiSquare = 8.9532e-01 1.H109 HD2 = 6.82(D), Expected = 7.00, Std = 0.4300, ChiSquare = 6.7550e-01 1.V110 CA = 61.89(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.3383e-01 1.V110 CB = 36.54(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.3296e-02 1.V110 CG1 = 20.44(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.4008e-01 1.V110 CG2 = 22.91(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.9020e-01 1.V110 HA = 4.57(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.1236e-01 1.V110 HB = 2.29(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.3267e-01 1.V110 HG11 = 1.45(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.7097e-02 1.V110 HG12 = 1.45(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.7097e-02 1.V110 HG13 = 1.45(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.7097e-02 1.V110 HG21 = 1.48(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.5158e-02 1.V110 HG22 = 1.48(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.5158e-02 1.V110 HG23 = 1.48(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.5158e-02 1.H111 C = 174.46(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.8841e-01 1.H111 CA = 55.90(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.8839e-01 1.H111 CB = 33.59(D), Expected = 30.24, Std = 2.0700, ChiSquare = 1.0559e-01 1.H111 CD2 = 118.67(D), Expected = 120.49, Std = 3.4200, ChiSquare = 5.9461e-01 1.H111 CE1 = 138.21(D), Expected = 137.71, Std = 2.1200, ChiSquare = 8.1355e-01 1.H111 HA = 6.10(S), Expected = 4.61, Std = 0.4300, ChiSquare = 5.3000e-04 1.H111 HB2 = 3.97(D), Expected = 3.10, Std = 0.3600, ChiSquare = 1.5663e-02 1.H111 HB3 = 3.03(D), Expected = 3.04, Std = 0.3800, ChiSquare = 9.7901e-01 1.H111 HD2 = 6.74(D), Expected = 7.00, Std = 0.4300, ChiSquare = 5.4541e-01 1.H111 HE1 = 7.93(D), Expected = 7.95, Std = 0.4800, ChiSquare = 9.6676e-01 1.F112 C = 172.39(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.2786e-01 1.F112 CA = 55.71(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.5644e-01 1.F112 CB = 41.95(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.4835e-01 1.F112 CD1 = 131.39(D), Expected = 131.58, Std = 1.1800, ChiSquare = 8.7208e-01 1.F112 CD2 = 131.39(D), Expected = 131.63, Std = 1.1200, ChiSquare = 8.3032e-01 1.F112 CZ = 128.51(D), Expected = 129.21, Std = 1.4300, ChiSquare = 6.2448e-01 1.F112 HA = 5.51(D), Expected = 4.63, Std = 0.5700, ChiSquare = 1.2262e-01 1.F112 HB2 = 2.89(D), Expected = 3.00, Std = 0.3700, ChiSquare = 7.6624e-01 1.F112 HB3 = 2.77(D), Expected = 2.93, Std = 0.4000, ChiSquare = 6.8916e-01 1.F112 HD1 = 6.63(D), Expected = 7.06, Std = 0.3100, ChiSquare = 1.6541e-01 1.F112 HD2 = 6.63(D), Expected = 7.06, Std = 0.3100, ChiSquare = 1.6541e-01 1.F112 HZ = 6.84(D), Expected = 7.00, Std = 0.4200, ChiSquare = 7.0324e-01 1.Q113 C = 171.43(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.2330e-02 1.Q113 CA = 53.05(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.9999e-02 1.Q113 CB = 33.28(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.4624e-02 1.Q113 CG = 32.73(D), Expected = 33.76, Std = 1.1100, ChiSquare = 3.5345e-01 1.Q113 HA = 4.47(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.4944e-01 1.Q113 HB2 = 1.76(D), Expected = 2.05, Std = 0.2500, ChiSquare = 2.4605e-01 1.Q113 HB3 = 2.15(D), Expected = 2.02, Std = 0.2800, ChiSquare = 6.4244e-01 1.Q113 HG2 = 1.60(D), Expected = 2.32, Std = 0.2700, ChiSquare = 7.6608e-03 1.Q113 HG3 = 2.81(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.2957e-02 1.R114 C = 173.77(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.9343e-01 1.R114 CA = 54.63(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.5423e-01 1.R114 CB = 33.82(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.8210e-02 1.R114 CG = 29.02(D), Expected = 27.21, Std = 1.2000, ChiSquare = 1.3147e-01 1.R114 CD = 43.08(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.2757e-01 1.R114 HA = 4.83(D), Expected = 4.30, Std = 0.4600, ChiSquare = 2.4925e-01 1.R114 HB2 = 1.08(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.5478e-03 1.R114 HB3 = 1.35(D), Expected = 1.76, Std = 0.2800, ChiSquare = 1.4312e-01 1.R114 HG2 = 1.30(D), Expected = 1.57, Std = 0.2700, ChiSquare = 3.1731e-01 1.R114 HG3 = 1.20(D), Expected = 1.54, Std = 0.2900, ChiSquare = 2.4103e-01 1.R114 HD2 = 1.84(S), Expected = 3.12, Std = 0.2400, ChiSquare = 9.6426e-08 1.R114 HD3 = 2.59(D), Expected = 3.10, Std = 0.2600, ChiSquare = 4.9816e-02 1.R114 HE = 9.44(D), Expected = 7.40, Std = 0.6300, ChiSquare = 1.2033e-03 1.M115 C = 174.22(D), Expected = 176.18, Std = 2.0900, ChiSquare = 3.4835e-01 1.M115 CA = 54.13(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.7460e-01 1.M115 CB = 36.68(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.9492e-02 1.M115 CG = 29.84(D), Expected = 32.01, Std = 1.2400, ChiSquare = 8.0118e-02 1.M115 CE = 14.21(D), Expected = 17.07, Std = 1.5800, ChiSquare = 7.0276e-02 1.M115 HA = 4.83(D), Expected = 4.41, Std = 0.4800, ChiSquare = 3.8157e-01 1.M115 HB2 = 1.61(D), Expected = 2.03, Std = 0.3400, ChiSquare = 2.1672e-01 1.M115 HB3 = 2.48(D), Expected = 1.99, Std = 0.3400, ChiSquare = 1.4953e-01 1.M115 HG2 = 1.87(D), Expected = 2.42, Std = 0.3500, ChiSquare = 1.1608e-01 1.M115 HG3 = 2.36(D), Expected = 2.39, Std = 0.3800, ChiSquare = 9.3707e-01 1.M115 HE1 = 0.77(D), Expected = 1.89, Std = 0.4600, ChiSquare = 1.4901e-02 1.M115 HE2 = 0.77(D), Expected = 1.89, Std = 0.4600, ChiSquare = 1.4901e-02 1.M115 HE3 = 0.77(D), Expected = 1.89, Std = 0.4600, ChiSquare = 1.4901e-02 1.S116 C = 174.74(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.4438e-01 1.S116 CA = 56.64(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.1498e-01 1.S116 CB = 65.02(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.0976e-01 1.S116 HA = 5.33(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.3587e-02 1.S116 HB2 = 3.79(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.1885e-01 1.S116 HB3 = 3.50(D), Expected = 3.85, Std = 0.2700, ChiSquare = 1.9487e-01 1.G117 CA = 45.24(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3458e-01 1.G117 HA2 = 4.36(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.9186e-01 1.G117 HA3 = 3.67(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.3419e-01 1.G118 CA = 43.37(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.3951e-01 1.G118 HA2 = 2.08(S), Expected = 3.97, Std = 0.3700, ChiSquare = 3.2540e-07 1.G118 HA3 = 3.03(D), Expected = 3.90, Std = 0.3700, ChiSquare = 1.8705e-02 1.I119 C = 175.49(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.5127e-01 1.I119 CA = 60.92(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.9682e-01 1.I119 CB = 39.07(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.2757e-01 1.I119 CG1 = 27.08(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.0766e-01 1.I119 CG2 = 18.99(D), Expected = 17.53, Std = 1.3600, ChiSquare = 2.8303e-01 1.I119 CD1 = 14.44(D), Expected = 13.43, Std = 1.6700, ChiSquare = 5.4532e-01 1.I119 HA = 3.36(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.4312e-01 1.I119 HB = 1.17(D), Expected = 1.78, Std = 0.2900, ChiSquare = 3.5427e-02 1.I119 HG12 = 0.12(D), Expected = 1.28, Std = 0.4000, ChiSquare = 3.7316e-03 1.I119 HG13 = -0.52(S), Expected = 1.19, Std = 0.4100, ChiSquare = 3.0362e-05 1.I119 HG21 = 0.63(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.0410e-01 1.I119 HG22 = 0.63(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.0410e-01 1.I119 HG23 = 0.63(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.0410e-01 1.I119 HD11 = 0.46(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4808e-01 1.I119 HD12 = 0.46(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4808e-01 1.I119 HD13 = 0.46(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4808e-01 1.G120 C = 174.24(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.4398e-01 1.G120 CA = 43.57(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.8406e-01 1.G120 HA2 = 4.58(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.9220e-02 1.G120 HA3 = 3.68(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.5211e-01 1.N121 C = 177.28(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.6148e-01 1.N121 CA = 56.07(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.7838e-01 1.N121 CB = 36.41(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.7730e-01 1.N121 HA = 3.65(D), Expected = 4.67, Std = 0.3600, ChiSquare = 4.6065e-03 1.N121 HB2 = 2.17(D), Expected = 2.81, Std = 0.3100, ChiSquare = 3.8969e-02 1.N121 HB3 = 0.87(S), Expected = 2.75, Std = 0.3300, ChiSquare = 1.2196e-08 1.Q122 C = 175.37(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.2977e-01 1.Q122 CA = 57.46(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.7749e-01 1.Q122 CB = 26.94(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.1636e-01 1.Q122 CG = 32.52(D), Expected = 33.76, Std = 1.1100, ChiSquare = 2.6394e-01 1.Q122 HA = 3.96(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.8109e-01 1.Q122 HB2 = 1.75(D), Expected = 2.05, Std = 0.2500, ChiSquare = 2.3014e-01 1.Q122 HB3 = 1.54(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.6476e-02 1.Q122 HG2 = 1.14(S), Expected = 2.32, Std = 0.2700, ChiSquare = 1.2404e-05 1.Q122 HG3 = 1.62(D), Expected = 2.29, Std = 0.2900, ChiSquare = 2.0869e-02 1.Y123 C = 175.35(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.7995e-01 1.Y123 CA = 57.13(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.9033e-01 1.Y123 CB = 39.23(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.6676e-01 1.Y123 CD1 = 132.75(D), Expected = 132.77, Std = 1.1700, ChiSquare = 9.8636e-01 1.Y123 CD2 = 132.75(D), Expected = 132.73, Std = 1.3000, ChiSquare = 9.8773e-01 1.Y123 CE1 = 118.11(D), Expected = 117.93, Std = 1.1900, ChiSquare = 8.7977e-01 1.Y123 CE2 = 118.11(D), Expected = 117.90, Std = 1.1800, ChiSquare = 8.5875e-01 1.Y123 HA = 4.56(D), Expected = 4.63, Std = 0.5600, ChiSquare = 9.0052e-01 1.Y123 HB2 = 2.19(D), Expected = 2.91, Std = 0.3700, ChiSquare = 5.1661e-02 1.Y123 HB3 = 3.26(D), Expected = 2.84, Std = 0.3900, ChiSquare = 2.8151e-01 1.Y123 HD1 = 6.65(D), Expected = 6.93, Std = 0.3000, ChiSquare = 3.5065e-01 1.Y123 HD2 = 6.65(D), Expected = 6.93, Std = 0.3000, ChiSquare = 3.5065e-01 1.Y123 HE1 = 6.57(D), Expected = 6.70, Std = 0.2300, ChiSquare = 5.7193e-01 1.Y123 HE2 = 6.57(D), Expected = 6.71, Std = 0.2300, ChiSquare = 5.4273e-01 1.A124 C = 176.47(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.5101e-01 1.A124 CA = 53.59(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.2021e-01 1.A124 CB = 20.32(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.7409e-01 1.A124 HA = 4.62(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.1325e-01 1.A124 HB1 = 1.85(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4470e-02 1.A124 HB2 = 1.85(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4470e-02 1.A124 HB3 = 1.85(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4470e-02 1.V125 C = 173.66(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.0227e-01 1.V125 CA = 58.14(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2826e-01 1.V125 CB = 35.24(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.6084e-01 1.V125 CG1 = 22.32(D), Expected = 21.49, Std = 1.3600, ChiSquare = 5.4167e-01 1.V125 CG2 = 17.56(D), Expected = 21.26, Std = 1.5600, ChiSquare = 1.7702e-02 1.V125 HA = 4.59(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.9041e-01 1.V125 HB = 2.05(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.2684e-01 1.V125 HG11 = 0.95(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4441e-01 1.V125 HG12 = 0.95(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4441e-01 1.V125 HG13 = 0.95(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4441e-01 1.V125 HG21 = 0.44(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.9854e-01 1.V125 HG22 = 0.44(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.9854e-01 1.V125 HG23 = 0.44(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.9854e-01 1.D126 C = 177.19(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.5168e-01 1.D126 CA = 50.63(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.5500e-02 1.D126 CB = 41.35(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.7172e-01 1.D126 HA = 2.50(S), Expected = 4.59, Std = 0.3200, ChiSquare = 6.5223e-11 1.D126 HB2 = 2.24(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.4870e-02 1.D126 HB3 = 2.64(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.4306e-01 1.D126 SRO Rule Break>> HA > HB3 : 0.999739311783107 1.P127 C = 175.88(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.6451e-01 1.P127 CA = 63.08(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.6936e-01 1.P127 CB = 32.40(D), Expected = 31.85, Std = 1.1800, ChiSquare = 6.4114e-01 1.P127 CG = 26.04(D), Expected = 27.17, Std = 1.0900, ChiSquare = 2.9988e-01 1.P127 CD = 49.84(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.2778e-01 1.P127 HA = 4.61(D), Expected = 4.40, Std = 0.3300, ChiSquare = 5.2454e-01 1.P127 HB2 = 2.38(D), Expected = 2.08, Std = 0.3500, ChiSquare = 3.9137e-01 1.P127 HB3 = 1.92(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.2414e-01 1.P127 HG2 = 2.06(D), Expected = 1.93, Std = 0.3100, ChiSquare = 6.7496e-01 1.P127 HG3 = 1.95(D), Expected = 1.90, Std = 0.3300, ChiSquare = 8.7957e-01 1.P127 HD2 = 3.42(D), Expected = 3.65, Std = 0.3500, ChiSquare = 5.1109e-01 1.P127 HD3 = 4.01(D), Expected = 3.61, Std = 0.3900, ChiSquare = 3.0506e-01 1.T128 C = 176.47(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.7282e-01 1.T128 CA = 68.93(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.5772e-03 1.T128 CB = 68.17(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.3854e-01 1.T128 CG2 = 20.85(D), Expected = 21.55, Std = 1.1100, ChiSquare = 5.2828e-01 1.T128 HA = 3.66(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.5581e-02 1.T128 HB = 4.07(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.6187e-01 1.T128 HG21 = 1.20(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.9419e-01 1.T128 HG22 = 1.20(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.9419e-01 1.T128 HG23 = 1.20(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.9419e-01 1.S129 C = 176.54(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.6430e-01 1.S129 CA = 61.37(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.0048e-01 1.S129 CB = 62.19(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.7667e-01 1.S129 HA = 4.19(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.6845e-01 1.S129 HB2 = 3.92(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.7288e-01 1.S129 HB3 = 3.92(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.9544e-01 1.Y130 C = 177.49(D), Expected = 175.40, Std = 1.9900, ChiSquare = 2.9360e-01 1.Y130 CA = 61.18(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.2431e-01 1.Y130 CB = 38.89(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.4220e-01 1.Y130 CD1 = 132.58(D), Expected = 132.77, Std = 1.1700, ChiSquare = 8.7100e-01 1.Y130 CD2 = 132.58(D), Expected = 132.73, Std = 1.3000, ChiSquare = 9.0814e-01 1.Y130 CE1 = 117.78(D), Expected = 117.93, Std = 1.1900, ChiSquare = 8.9969e-01 1.Y130 CE2 = 117.78(D), Expected = 117.90, Std = 1.1800, ChiSquare = 9.1900e-01 1.Y130 HA = 4.18(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.2164e-01 1.Y130 HB2 = 3.20(D), Expected = 2.91, Std = 0.3700, ChiSquare = 4.3317e-01 1.Y130 HB3 = 2.99(D), Expected = 2.84, Std = 0.3900, ChiSquare = 7.0052e-01 1.Y130 HD1 = 6.85(D), Expected = 6.93, Std = 0.3000, ChiSquare = 7.8973e-01 1.Y130 HD2 = 6.85(D), Expected = 6.93, Std = 0.3000, ChiSquare = 7.8973e-01 1.Y130 HE1 = 6.59(D), Expected = 6.70, Std = 0.2300, ChiSquare = 6.3246e-01 1.Y130 HE2 = 6.59(D), Expected = 6.71, Std = 0.2300, ChiSquare = 6.0185e-01 1.L131 C = 177.89(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.4944e-01 1.L131 CA = 56.92(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.4164e-01 1.L131 CB = 41.96(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.5231e-01 1.L131 CG = 27.16(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.2975e-01 1.L131 CD1 = 26.09(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.8889e-01 1.L131 CD2 = 23.37(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.8916e-01 1.L131 HA = 3.71(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.9433e-01 1.L131 HB2 = 1.95(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.1731e-01 1.L131 HB3 = 1.24(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.3670e-01 1.L131 HG = 1.87(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.7531e-01 1.L131 HD11 = 0.92(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.4376e-01 1.L131 HD12 = 0.92(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.4376e-01 1.L131 HD13 = 0.92(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.4376e-01 1.L131 HD21 = 0.36(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.0200e-01 1.L131 HD22 = 0.36(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.0200e-01 1.L131 HD23 = 0.36(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.0200e-01 1.Q132 C = 176.00(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.7369e-01 1.Q132 CA = 56.85(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.9590e-01 1.Q132 CB = 28.84(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.4750e-01 1.Q132 CG = 33.99(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.3585e-01 1.Q132 HA = 4.16(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.0259e-01 1.Q132 HB2 = 2.11(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.1033e-01 1.Q132 HB3 = 2.11(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.4789e-01 1.Q132 HG2 = 2.52(D), Expected = 2.32, Std = 0.2700, ChiSquare = 4.5885e-01 1.Q132 HG3 = 2.43(D), Expected = 2.29, Std = 0.2900, ChiSquare = 6.2927e-01 1.S133 C = 173.51(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.1870e-01 1.S133 CA = 58.31(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.4299e-01 1.S133 CB = 64.15(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.1306e-01 1.S133 HA = 4.44(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.2034e-01 1.S133 HB2 = 3.97(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.1885e-01 1.S133 HB3 = 3.82(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.1153e-01 1.R134 CA = 56.85(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.7237e-01 1.R134 CB = 31.65(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.0367e-01 1.R134 CG = 26.20(D), Expected = 27.21, Std = 1.2000, ChiSquare = 3.9997e-01 1.R134 CD = 43.00(D), Expected = 43.16, Std = 0.8800, ChiSquare = 8.5573e-01 1.R134 HA = 4.02(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.4273e-01 1.R134 HB2 = 1.84(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.5308e-01 1.R134 HB3 = 1.59(D), Expected = 1.76, Std = 0.2800, ChiSquare = 5.4376e-01 1.R134 HG2 = 1.48(D), Expected = 1.57, Std = 0.2700, ChiSquare = 7.3888e-01 1.R134 HG3 = 1.40(D), Expected = 1.54, Std = 0.2900, ChiSquare = 6.2927e-01 1.R134 HD2 = 2.94(D), Expected = 3.12, Std = 0.2400, ChiSquare = 4.5325e-01 1.R134 HD3 = 2.79(D), Expected = 3.10, Std = 0.2600, ChiSquare = 2.3314e-01