Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S47 1.S47 C Shift Assignments>> C :: 174.8374(D) CA :: 58.1474(D) CB :: 64.2886(S) 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 :: 8.4172(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 :: 119.6337(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.14 M 0.13 C 0.13 W 0.11 E 0.11 K 0.1 Q 0.09 HN Overlap>> 1.D40 1.D40 C Shift Assignments>> C :: 176.0260(D) CA :: 56.0819(D) CB :: 31.1469(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 :: 8.3473(D) 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 :: 122.3928(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.41 P 0.36 C 0.15 W 0.02 C Shift Assignments>> C :: 176.7874(D) CA :: 63.0304(D) CB :: 32.4938(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) 1.S21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.4123(D) CA :: 58.4113(D) CB :: 63.9111(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5240(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 :: 116.8738(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.44 C 0.22 P 0.21 W 0.03 K 0.02 R 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 175.9473(D) CA :: 62.2096(D) CB :: 33.0197(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 :: 8.2119(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 :: 122.2917(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.4 Y 0.21 F 0.18 C 0.18 HN Overlap>> 1.A49 1.A49 C Shift Assignments>> C :: 176.4453(D) CA :: 60.9732(D) CB :: 38.6586(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 :: 8.3080(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 :: 125.2063(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.7259(D) CA :: 61.6280(D) CB :: 69.9805(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 :: 8.3254(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 :: 119.0890(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.S39 1.S39 C Shift Assignments>> C :: 174.8376(D) CA :: 61.9721(D) CB :: 69.8988(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 :: 8.2303(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 :: 116.4587(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.6304(D) CA :: 62.1124(D) CB :: 69.7876(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 :: 8.1791(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 :: 115.9735(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.4461(D) CA :: 58.4351(D) CB :: 63.8976(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2956(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 :: 117.9865(D) Ave N Shift Values>> N :: 116.28(3.52) 1.M28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.18 C 0.16 Q 0.15 R 0.08 H 0.08 W 0.05 E 0.03 V 0.01 C Shift Assignments>> C :: 175.9386(D) CA :: 55.6343(D) CB :: 32.9945(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 :: 8.2955(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 :: 121.9021(D) Ave N Shift Values>> N :: 120.09(3.57) 1.H29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.15 K 0.14 W 0.11 C 0.11 R 0.11 E 0.1 M 0.04 L 0.02 C Shift Assignments>> C :: 176.2380(D) CA :: 55.1658(D) CB :: 29.1396(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 :: 8.4916(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 :: 119.5303(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.2416(D) CA :: 61.8709(D) CB :: 70.0899(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 :: 8.2082(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 :: 116.5805(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.45 C 0.23 P 0.18 W 0.02 K 0.02 Q 0.01 R 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 176.1471(D) CA :: 62.1697(D) CB :: 33.1511(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 :: 8.2896(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 :: 122.6624(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.52 L 0.23 R 0.12 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.5861(D) CA :: 44.5180(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2980(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.8403(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.39 P 0.38 C 0.15 W 0.02 C Shift Assignments>> C :: 176.8217(D) CA :: 63.0345(D) CB :: 32.2608(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) 1.I34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.44 Y 0.19 C 0.17 F 0.16 HN Overlap>> 1.I46 1.I46 C Shift Assignments>> C :: 176.3394(D) CA :: 61.3166(D) CB :: 38.6600(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 :: 8.2295(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 :: 121.4090(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.15 C 0.12 W 0.12 M 0.11 E 0.11 Q 0.1 K 0.08 C Shift Assignments>> C :: 176.3321(D) CA :: 55.8239(D) CB :: 30.9399(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 :: 8.3858(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 :: 125.7223(D) 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.R36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.15 M 0.13 C 0.12 W 0.11 E 0.11 Q 0.09 K 0.09 HN Overlap>> 1.K147 1.R37 1.K147 1.R37 C Shift Assignments>> C :: 176.3734(D) CA :: 55.7986(D) CB :: 31.0719(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 :: 8.3747(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 :: 123.0607(D) 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.R37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.14 M 0.13 C 0.13 W 0.11 E 0.11 K 0.1 Q 0.09 HN Overlap>> 1.K147 1.I148 1.K147 1.I148 1.R36 1.R36 C Shift Assignments>> C :: 176.3793(D) CA :: 56.0397(D) CB :: 31.1378(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 :: 8.3286(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 :: 122.9783(D) 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.Y38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.28 C 0.17 I 0.12 D 0.04 L 0.03 N 0.01 E 0.01 C Shift Assignments>> C :: 175.7512(D) CA :: 58.0934(D) CB :: 39.0463(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 :: 8.3075(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 :: 121.5089(D) Ave N Shift Values>> N :: 120.52(4.2) 1.S39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.T25 1.T25 C Shift Assignments>> C :: 174.1366(D) CA :: 58.2336(D) CB :: 64.1160(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1383(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 :: 116.4714(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.18 N 0.16 F 0.1 Y 0.08 C 0.06 K 0.04 HN Overlap>> 1.Q18 1.Q18 C Shift Assignments>> C :: 176.0171(D) CA :: 54.2619(D) CB :: 40.6149(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 :: 8.3409(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 :: 122.4068(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 M 0.18 C 0.17 Q 0.15 R 0.08 H 0.08 W 0.06 E 0.04 V 0.02 C Shift Assignments>> C :: 176.1703(D) CA :: 56.6414(D) CB :: 32.9691(D) 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 :: 8.0778(D) 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 :: 120.2800(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.26 C 0.17 I 0.1 D 0.05 L 0.03 N 0.03 E 0.02 C Shift Assignments>> C :: 175.2919(D) CA :: 57.5649(D) CB :: 38.8363(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 :: 7.9741(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 :: 119.6166(D) Ave N Shift Values>> N :: 120.52(4.2) 1.N43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.49 D 0.2 C 0.08 F 0.07 Y 0.06 L 0.05 C Shift Assignments>> C :: 174.2465(D) CA :: 53.1055(D) CB :: 39.0583(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 :: 8.1767(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) N Shift Assignments>> N :: 120.5202(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 V 0.2 K 0.12 W 0.08 M 0.07 Q 0.06 R 0.06 H 0.04 E 0.03 P 0.01 C Shift Assignments>> C :: 176.2375(D) CA :: 59.8621(D) CB :: 32.8080(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 :: 7.9170(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 :: 121.2621(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.39 P 0.38 C 0.15 W 0.02 C Shift Assignments>> C :: 177.0476(D) CA :: 63.0329(D) CB :: 32.2645(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) 1.I46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.44 Y 0.19 F 0.18 C 0.16 HN Overlap>> 1.I34 1.I34 C Shift Assignments>> C :: 176.3372(D) CA :: 61.3220(D) CB :: 39.0014(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 :: 8.2362(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 :: 121.4084(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.T17 1.T17 C Shift Assignments>> C :: 174.8766(D) CA :: 57.9886(D) CB :: 64.2487(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4010(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 :: 119.6051(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.9136(D) CA :: 59.2857(D) CB :: 63.5668(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4835(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 :: 118.2587(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.8 M 0.15 C 0.02 HN Overlap>> 1.I23 1.I23 C Shift Assignments>> C :: 177.8765(D) CA :: 53.3591(D) CB :: 19.1767(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2463(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.1585(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 N 0.19 L 0.15 F 0.12 Y 0.1 C 0.07 K 0.02 C Shift Assignments>> C :: 176.5444(D) CA :: 54.5366(D) CB :: 40.2216(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 :: 8.0950(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 :: 118.4017(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.58 C 0.16 Y 0.12 F 0.11 HN Overlap>> 1.E139 1.E139 C Shift Assignments>> C :: 176.5604(D) CA :: 62.5005(D) CB :: 38.6136(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 :: 7.8527(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 :: 120.7563(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.75 M 0.2 C 0.02 C Shift Assignments>> C :: 178.8093(D) CA :: 53.5576(D) CB :: 18.8739(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1591(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.8495(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 K 0.14 H 0.13 W 0.13 E 0.13 C 0.11 R 0.11 M 0.03 I 0.02 L 0.01 C Shift Assignments>> C :: 176.4594(D) CA :: 56.8130(D) CB :: 29.2222(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 :: 8.1039(D) 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 :: 117.8191(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 D 0.21 F 0.09 Y 0.09 C 0.09 L 0.06 C Shift Assignments>> C :: 175.9410(D) CA :: 53.8222(D) CB :: 39.1058(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 :: 8.1997(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) N Shift Assignments>> N :: 118.0866(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.14 H 0.13 E 0.13 W 0.13 C 0.11 R 0.11 M 0.03 I 0.01 L 0.01 C Shift Assignments>> C :: 176.4033 CA :: 56.6770 CB :: 29.2763 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 :: 8.3043 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 :: 119.9884 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 K 0.14 W 0.14 Q 0.12 E 0.11 H 0.1 R 0.08 I 0.08 L 0.02 M 0.01 C Shift Assignments>> C :: 176.2916 CA :: 58.3273(D) CB :: 28.5238(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 :: 8.4716(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 :: 116.7194(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 I 0.27 F 0.25 C 0.16 L 0.01 C Shift Assignments>> C :: 176.9410(D) CA :: 59.8857(D) CB :: 39.2226(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 :: 7.8781(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 :: 119.0143(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Y58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.28 Y 0.26 F 0.23 C 0.18 E 0.01 C Shift Assignments>> C :: 176.5972(D) CA :: 59.8777(D) CB :: 38.8253(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 :: 7.6423(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 :: 115.7794(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.17 Q 0.13 E 0.13 I 0.11 H 0.11 R 0.08 L 0.02 M 0.01 K 0.01 C Shift Assignments>> C :: 176.5401(D) CA :: 58.7170(D) CB :: 28.6038(D) 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 :: 7.7971(D) 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 :: 120.0298(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.35 D 0.31 L 0.11 F 0.07 C 0.06 Y 0.06 C Shift Assignments>> C :: 174.5568(D) CA :: 53.0862(D) CB :: 39.9919(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 :: 7.6008(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) N Shift Assignments>> N :: 114.4010(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.04 C 0.02 L 0.02 C Shift Assignments>> C :: 177.1255(D) CA :: 52.3313(D) CB :: 20.1681(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8066(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.9332(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.14 R 0.13 H 0.12 C 0.11 W 0.1 E 0.09 L 0.08 M 0.02 I 0.01 C Shift Assignments>> C :: 175.3955(D) CA :: 55.7511(D) CB :: 28.2246(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 :: 8.6036(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 :: 120.1132(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.36 V 0.22 K 0.08 Q 0.07 E 0.06 M 0.05 I 0.05 Y 0.02 W 0.02 R 0.01 H 0.01 F 0.01 C Shift Assignments>> C :: 174.0726(D) CA :: 60.4669(D) CB :: 34.5338(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 :: 7.5827(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 :: 119.9135(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.15 C 0.13 Q 0.13 W 0.12 M 0.1 E 0.08 K 0.06 C Shift Assignments>> C :: 173.5611 CA :: 53.7943 CB :: 30.2563 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 :: 8.2208 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 :: 128.3336 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.P65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.53 C 0.23 W 0.07 V 0.05 P 0.02 K 0.02 E 0.01 H 0.01 R 0.01 C Shift Assignments>> C :: 174.2633(D) CA :: 62.8056(D) CB :: 28.7292(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) 1.F67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.27 D 0.13 K 0.08 F 0.06 C 0.04 Y 0.03 G 0.03 C Shift Assignments>> C :: 175.4927(D) CA :: 55.1053(D) CB :: 43.0939(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 :: 7.2753(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 :: 118.5177(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.1449(D) CA :: 60.7836(D) CB :: 70.4268(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 :: 8.7445(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 :: 112.6278(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.68 C 0.15 Y 0.08 F 0.07 C Shift Assignments>> C :: 178.5028(D) CA :: 63.5490(D) CB :: 38.4582(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 :: 8.9085(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 :: 120.2007(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.72 A 0.15 I 0.09 C 0.02 C Shift Assignments>> C :: 179.2244(D) CA :: 56.1346(D) CB :: 17.3185(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9788(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.8640(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 61.9679(D) CB :: 62.9573(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9395(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 :: 113.4852(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.3 L 0.19 K 0.13 F 0.12 Y 0.08 C 0.07 D 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 176.9155(D) CA :: 57.8201(D) CB :: 42.9473(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 :: 7.8446(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 :: 123.8061(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.81 C 0.13 Y 0.02 F 0.01 V 0.01 C Shift Assignments>> C :: 177.2056(D) CA :: 65.9707(D) CB :: 38.2900(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 :: 8.6339(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 :: 118.2734(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 W 0.17 E 0.1 V 0.09 R 0.08 I 0.08 H 0.07 Q 0.05 K 0.03 M 0.02 P 0.02 C Shift Assignments>> C :: 176.5350(D) CA :: 60.4052(D) CB :: 30.3601(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 :: 7.8387(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 :: 116.3056(D) 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.Q75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 I 0.15 W 0.12 R 0.11 K 0.1 Q 0.1 E 0.08 H 0.07 L 0.03 C Shift Assignments>> C :: 176.6887(D) CA :: 59.0559(D) CB :: 28.0148(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 :: 7.6281(D) 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 :: 118.3261(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.7 A 0.25 I 0.02 C 0.01 C Shift Assignments>> C :: 179.9639(D) CA :: 54.7951(D) CB :: 16.5368(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3909(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.5700(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.8 C 0.13 Y 0.02 F 0.02 C Shift Assignments>> C :: 179.7370(D) CA :: 65.7124(D) CB :: 38.4784(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 :: 7.6417(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 :: 115.2441(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 Y 0.19 K 0.16 L 0.14 C 0.09 D 0.09 I 0.04 R 0.01 C Shift Assignments>> C :: 178.5430(D) CA :: 57.6553(D) CB :: 41.1261(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 :: 8.7057(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 :: 120.2433(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.14 H 0.13 E 0.13 K 0.13 W 0.13 R 0.11 C 0.11 M 0.04 I 0.01 C Shift Assignments>> C :: 176.7707(D) CA :: 56.7007(D) CB :: 29.4316(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 :: 7.7192(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 :: 116.0455(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.6080(D) CA :: 57.4618(D) CB :: 63.8093(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5604(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 :: 118.6501(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P81 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E82 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K83 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L87 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E89 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I90 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y91 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> W 0.15 E 0.14 C 0.13 Q 0.12 K 0.12 H 0.12 R 0.11 I 0.03 M 0.03 C Shift Assignments>> CA :: 57.9198(D) CB :: 29.5025(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) 1.F94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.61 C 0.14 F 0.12 Y 0.1 C Shift Assignments>> C :: 178.0564(D) CA :: 63.3958(D) CB :: 40.3611(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 :: 8.5327(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 :: 118.5237(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.2979(D) CA :: 65.1761(D) CB :: 68.9959(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 :: 8.1070(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 :: 106.4930(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.16 E 0.14 R 0.13 H 0.11 Q 0.08 K 0.06 M 0.05 V 0.03 I 0.02 C Shift Assignments>> C :: 178.6781(D) CA :: 58.6621(D) CB :: 30.6311(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 :: 8.0732(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 :: 122.1147(D) 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.M97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.18 K 0.15 C 0.14 R 0.14 H 0.13 W 0.09 E 0.07 Q 0.05 C Shift Assignments>> C :: 176.2495(D) CA :: 55.4854(D) CB :: 32.0404(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 :: 7.5631(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 :: 115.1289(D) Ave N Shift Values>> N :: 120.09(3.57) 1.F98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.21 L 0.21 K 0.15 F 0.15 Y 0.11 C 0.06 N 0.04 R 0.01 I 0.01 C Shift Assignments>> CA :: 55.8241(D) CB :: 41.1734(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) 1.A99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.55 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 179.5411(D) CA :: 54.9442(D) CB :: 17.8279(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4947(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.2247(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.39 F 0.22 Y 0.2 C 0.15 C Shift Assignments>> C :: 176.4478(D) CA :: 61.3956(D) CB :: 40.1975(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 :: 9.1960(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 :: 117.2909(D) Ave N Shift Values>> N :: 120.52(4.2) 1.F101 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R102 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.19 K 0.16 C 0.15 R 0.13 H 0.12 W 0.08 Q 0.06 E 0.06 V 0.01 C Shift Assignments>> CA :: 55.8216(D) CB :: 32.2020(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) 1.N104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.47 D 0.14 C 0.11 Y 0.09 F 0.08 L 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 174.9663(D) CA :: 53.7527(D) CB :: 38.4424(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 :: 8.4461(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) N Shift Assignments>> N :: 117.0711(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.79 M 0.15 C 0.03 L 0.01 C Shift Assignments>> C :: 177.6087(D) CA :: 53.6901(D) CB :: 19.3989(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1194(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.9052(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.67 M 0.27 C 0.02 I 0.01 C Shift Assignments>> C :: 176.2144(D) CA :: 54.2218(D) CB :: 18.9121(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3515(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.8441(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 179.9067(D) CA :: 65.3747(D) CB :: 68.8873(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 :: 7.8593(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 :: 111.8620(D) Ave N Shift Values>> N :: 115.42(4.75) 1.W108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.15 K 0.12 E 0.11 I 0.1 Q 0.1 H 0.09 R 0.07 M 0.01 V 0.01 C Shift Assignments>> C :: 177.9860(D) CA :: 59.1704(D) CB :: 28.9395(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 :: 7.7768(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 :: 121.4187(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.25 V 0.2 W 0.13 P 0.08 R 0.06 E 0.06 H 0.05 K 0.04 I 0.04 M 0.02 Q 0.02 C Shift Assignments>> CA :: 60.9411(D) CB :: 31.1367(D) 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) 1.N110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.22 F 0.19 C 0.18 N 0.15 D 0.08 E 0.05 I 0.04 L 0.03 M 0.02 C Shift Assignments>> C :: 177.3492(D) CA :: 55.9896(D) CB :: 38.2861(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 :: 7.3642(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) N Shift Assignments>> N :: 117.3422(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.62 A 0.3 I 0.04 C 0.02 C Shift Assignments>> C :: 181.6143(D) CA :: 55.2785(D) CB :: 17.6670(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4193(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.5020(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 60.5778(D) CB :: 63.9103(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.L118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.24 G 0.22 C 0.06 F 0.05 D 0.05 Y 0.02 C Shift Assignments>> C :: 177.2613(D) CA :: 56.1062(D) CB :: 44.2394(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 :: 7.6671(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 :: 119.0575(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 H 0.15 K 0.13 R 0.12 W 0.12 E 0.12 C 0.11 M 0.05 C Shift Assignments>> C :: 174.1230(D) CA :: 55.6710(D) CB :: 29.4959(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 :: 7.5028(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 :: 115.4766(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 R 0.13 K 0.13 M 0.13 H 0.11 W 0.11 E 0.1 Q 0.05 V 0.03 C Shift Assignments>> C :: 177.2114(D) CA :: 57.5875(D) CB :: 31.7219(D) 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 :: 8.5939(D) 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 :: 123.1633(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F122 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V123 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R124 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V125 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E126 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N127 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V128 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K129 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.54 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.7551(D) CA :: 44.5640(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8155(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.4970(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 M 0.07 C 0.01 C Shift Assignments>> C :: 177.0196(D) CA :: 51.8913(D) CB :: 19.2192(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1673(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.3664(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.14 C 0.13 M 0.12 W 0.12 E 0.11 K 0.1 Q 0.08 V 0.01 C Shift Assignments>> C :: 175.4020(D) CA :: 56.6657(D) CB :: 31.2446(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 :: 9.0161(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 :: 122.4855(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.2193(D) CA :: 59.5148(D) CB :: 72.5328(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 :: 8.8479(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 :: 113.0243(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 V 0.13 E 0.1 K 0.09 Q 0.09 M 0.07 I 0.04 Y 0.03 W 0.01 R 0.01 H 0.01 F 0.01 C Shift Assignments>> C :: 175.3461(D) CA :: 59.7366(D) CB :: 34.7233(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 :: 8.8849(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 :: 118.9718(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.33 D 0.31 L 0.11 F 0.08 Y 0.07 C 0.06 C Shift Assignments>> C :: 175.9411(D) CA :: 53.3503(D) CB :: 39.9724(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 :: 9.1926(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 :: 126.7116(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.14 W 0.14 H 0.14 R 0.13 Q 0.12 C 0.12 K 0.09 M 0.05 I 0.01 C Shift Assignments>> C :: 177.2139(D) CA :: 57.1849(D) CB :: 29.9845(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 :: 8.5723(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 :: 123.4897(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.44 V 0.41 C 0.1 I 0.01 W 0.01 C Shift Assignments>> C :: 177.4007(D) CA :: 64.3128(D) CB :: 32.0427(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 :: 7.9868(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 :: 119.9302(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.15 Q 0.14 W 0.13 E 0.13 H 0.12 C 0.12 R 0.1 M 0.03 I 0.02 L 0.01 HN Overlap>> 1.I51 1.K142 1.I51 1.K142 C Shift Assignments>> C :: 177.1983(D) CA :: 57.1321(D) CB :: 29.1359(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 :: 7.8967(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 :: 120.7460(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.28 I 0.2 C 0.16 L 0.02 D 0.01 C Shift Assignments>> C :: 176.3268(D) CA :: 59.2400(D) CB :: 39.4579(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 :: 8.2153(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 :: 119.8201(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 K 0.15 H 0.13 W 0.12 E 0.12 C 0.11 R 0.11 M 0.03 I 0.01 L 0.01 C Shift Assignments>> C :: 176.2326(D) CA :: 56.4687(D) CB :: 29.1724(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 :: 8.0015(D) 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 :: 118.8129(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 C 0.17 M 0.17 Q 0.15 R 0.08 H 0.07 W 0.06 E 0.04 V 0.03 HN Overlap>> 1.E139 1.E139 C Shift Assignments>> C :: 176.6339(D) CA :: 57.0027(D) CB :: 33.0179(D) 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 :: 7.9338(D) 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 :: 120.8397(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.15 C 0.12 W 0.12 E 0.12 Q 0.1 M 0.1 K 0.08 C Shift Assignments>> C :: 175.9246(D) CA :: 55.8676(D) CB :: 30.8214(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 :: 8.0126(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 :: 120.9281(D) 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.R144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.15 Q 0.14 C 0.13 W 0.12 E 0.09 M 0.09 K 0.07 C Shift Assignments>> C :: 174.1815(D) CA :: 54.1319(D) CB :: 30.1530(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 :: 8.2488(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 :: 123.5120(D) 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.P145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.4 V 0.39 C 0.14 W 0.02 I 0.01 C Shift Assignments>> C :: 176.7537(D) CA :: 63.1968(D) CB :: 32.1937(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) 1.Q146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.14 Q 0.14 W 0.13 E 0.12 C 0.11 K 0.08 M 0.07 C Shift Assignments>> C :: 175.7779(D) CA :: 55.7669(D) CB :: 30.0383(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 :: 8.4543(D) 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 :: 121.0406(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 K 0.19 Q 0.18 C 0.17 R 0.07 H 0.07 W 0.04 E 0.03 V 0.01 HN Overlap>> 1.I148 1.R37 1.R36 1.I148 1.R37 1.R36 C Shift Assignments>> C :: 176.3807(D) CA :: 56.3607(D) CB :: 33.2614(D) 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 :: 8.3707(D) 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 :: 123.0394(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.43 Y 0.19 F 0.18 C 0.16 HN Overlap>> 1.K147 1.K147 1.R37 1.R37 C Shift Assignments>> C :: 176.1683(D) CA :: 61.2837(D) CB :: 38.9189(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 :: 8.3073(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 :: 122.9637(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.8681(D) CA :: 58.2331(D) CB :: 64.2220(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3315(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 :: 119.7983(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 178.5316(D) CA :: 45.9889(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0454(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.3829(D) Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 49 #Clerical: 100 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 103 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 47 Shift Relative Order (SRO) Results: #Consistent: 150 #Suspicious: 0 C Shift Results: #Consistent: 7 #Duplicate: 292 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 2 #Duplicate: 91 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 2 #Duplicate: 91 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T17 C = 174.8374(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.6581e-01 1.T17 CA = 58.1474(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.1585e-01 1.T17 CB = 64.2886(S), Expected = 69.73, Std = 1.6300, ChiSquare = 8.4298e-04 1.T17 H = 8.4172(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.7503e-01 1.T17 N = 119.6337(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.7503e-01 1.Q18 C = 176.0260(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.8420e-01 1.Q18 CA = 56.0819(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.1958e-01 1.Q18 CB = 31.1469(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.8228e-01 1.Q18 H = 8.3473(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.2917e-01 1.Q18 N = 122.3928(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.8692e-01 1.P20 C = 176.7874(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.8024e-01 1.P20 CA = 63.0304(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.4375e-01 1.P20 CB = 32.4938(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.8535e-01 1.S21 C = 174.4123(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.0388e-01 1.S21 CA = 58.4113(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.8145e-01 1.S21 CB = 63.9111(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.4016e-01 1.S21 H = 8.5240(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.7920e-01 1.S21 N = 116.8738(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.6604e-01 1.V22 C = 175.9473(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.6323e-01 1.V22 CA = 62.2096(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.2190e-01 1.V22 CB = 33.0197(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.7143e-01 1.V22 H = 8.2119(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.0720e-01 1.V22 N = 122.2917(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.9974e-01 1.I23 C = 176.4453(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.5652e-01 1.I23 CA = 60.9732(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.1218e-01 1.I23 CB = 38.6586(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.8870e-01 1.I23 H = 8.3080(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.6716e-01 1.I23 N = 125.2063(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.8141e-01 1.T24 C = 174.7259(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.1588e-01 1.T24 CA = 61.6280(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.1920e-01 1.T24 CB = 69.9805(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.7786e-01 1.T24 H = 8.3254(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.9044e-01 1.T24 N = 119.0890(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.3987e-01 1.T25 C = 174.8376(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.6573e-01 1.T25 CA = 61.9721(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.2375e-01 1.T25 CB = 69.8988(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.1752e-01 1.T25 H = 8.2303(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.8752e-01 1.T25 N = 116.4587(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.2690e-01 1.T26 C = 174.6304(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.5904e-01 1.T26 CA = 62.1124(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.6686e-01 1.T26 CB = 69.7876(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.7181e-01 1.T26 H = 8.1791(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.2175e-01 1.T26 N = 115.9735(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.0724e-01 1.S27 C = 174.4461(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.1947e-01 1.S27 CA = 58.4351(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.9053e-01 1.S27 CB = 63.8976(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.4742e-01 1.S27 H = 8.2956(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.7891e-01 1.S27 N = 117.9865(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.2782e-01 1.M28 C = 175.9386(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.0805e-01 1.M28 CA = 55.6343(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.3108e-01 1.M28 CB = 32.9945(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.9840e-01 1.M28 H = 8.2955(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.5282e-01 1.M28 N = 121.9021(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.1174e-01 1.H29 C = 176.2380(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.1600e-01 1.H29 CA = 55.1658(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.5772e-01 1.H29 CB = 29.1396(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.9501e-01 1.H29 H = 8.4916(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.1138e-01 1.H29 N = 119.5303(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.6815e-01 1.T30 C = 174.2416(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.6537e-01 1.T30 CA = 61.8709(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.9278e-01 1.T30 CB = 70.0899(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.2525e-01 1.T30 H = 8.2082(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.5909e-01 1.T30 N = 116.5805(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.0699e-01 1.V31 C = 176.1471(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.8146e-01 1.V31 CA = 62.1697(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.1083e-01 1.V31 CB = 33.1511(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.1401e-01 1.V31 H = 8.2896(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.9952e-01 1.V31 N = 122.6624(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.3738e-01 1.G32 C = 171.5861(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.2443e-01 1.G32 CA = 44.5180(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.3467e-01 1.G32 H = 8.2980(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6074e-01 1.G32 N = 112.8403(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.1267e-01 1.P33 C = 176.8217(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.6213e-01 1.P33 CA = 63.0345(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.4586e-01 1.P33 CB = 32.2608(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.2774e-01 1.I34 C = 176.3394(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.9880e-01 1.I34 CA = 61.3166(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.1282e-01 1.I34 CB = 38.6600(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.8815e-01 1.I34 H = 8.2295(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.4080e-01 1.I34 N = 121.4090(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.9049e-01 1.R35 C = 176.3321(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.6939e-01 1.R35 CA = 55.8239(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.8212e-01 1.R35 CB = 30.9399(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.9570e-01 1.R35 H = 8.3858(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.1109e-01 1.R35 N = 125.7223(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.8103e-01 1.R36 C = 176.3734(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.8562e-01 1.R36 CA = 55.7986(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.7411e-01 1.R36 CB = 31.0719(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.3896e-01 1.R36 H = 8.3747(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.2523e-01 1.R36 N = 123.0607(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.3900e-01 1.R37 C = 176.3793(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.8793e-01 1.R37 CA = 56.0397(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.5189e-01 1.R37 CB = 31.1378(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.1092e-01 1.R37 H = 8.3286(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.8452e-01 1.R37 N = 122.9783(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.5390e-01 1.Y38 C = 175.7512(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.5992e-01 1.Y38 CA = 58.0934(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.8837e-01 1.Y38 CB = 39.0463(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.9917e-01 1.Y38 H = 8.3075(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.8634e-01 1.Y38 N = 121.5089(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.1386e-01 1.S39 C = 174.1366(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.7867e-01 1.S39 CA = 58.2336(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.1423e-01 1.S39 CB = 64.1160(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.3093e-01 1.S39 H = 8.1383(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.1020e-01 1.S39 N = 116.4714(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.5664e-01 1.D40 C = 176.0171(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.2681e-01 1.D40 CA = 54.2619(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.3298e-01 1.D40 CB = 40.6149(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.7001e-01 1.D40 H = 8.3409(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.5751e-01 1.D40 N = 122.4068(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.4902e-01 1.K41 C = 176.1703(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.1433e-01 1.K41 CA = 56.6414(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.8844e-01 1.K41 CB = 32.9691(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.1985e-01 1.K41 H = 8.0778(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.5166e-01 1.K41 N = 120.2800(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.3816e-01 1.Y42 C = 175.2919(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.5668e-01 1.Y42 CA = 57.5649(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.2187e-01 1.Y42 CB = 38.8363(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.2281e-01 1.Y42 H = 7.9741(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.3562e-01 1.Y42 N = 119.6166(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.2969e-01 1.N43 C = 174.2465(D), Expected = 175.27, Std = 1.7900, ChiSquare = 5.6747e-01 1.N43 CA = 53.1055(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.1722e-01 1.N43 CB = 39.0583(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.2748e-01 1.N43 H = 8.1767(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.9548e-01 1.N43 N = 120.5202(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.9314e-01 1.V44 C = 176.2375(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.4518e-01 1.V44 CA = 59.8621(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.5818e-01 1.V44 CB = 32.8080(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.6524e-01 1.V44 H = 7.9170(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.7772e-01 1.V44 N = 121.2621(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.7854e-01 1.P45 C = 177.0476(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.4376e-01 1.P45 CA = 63.0329(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.4503e-01 1.P45 CB = 32.2645(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.2538e-01 1.I46 C = 176.3372(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.9969e-01 1.I46 CA = 61.3220(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.1442e-01 1.I46 CB = 39.0014(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.5412e-01 1.I46 H = 8.2362(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.4864e-01 1.I46 N = 121.4084(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.9038e-01 1.S47 C = 174.8766(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.8141e-01 1.S47 CA = 57.9886(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.2384e-01 1.S47 CB = 64.2487(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.6176e-01 1.S47 H = 8.4010(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.3751e-01 1.S47 N = 119.6051(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.4485e-01 1.S48 C = 174.9136(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.6446e-01 1.S48 CA = 59.2857(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.8463e-01 1.S48 CB = 63.5668(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.7480e-01 1.S48 H = 8.4835(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.3016e-01 1.S48 N = 118.2587(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.7403e-01 1.A49 C = 177.8765(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.4890e-01 1.A49 CA = 53.3591(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.1189e-01 1.A49 CB = 19.1767(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.2742e-01 1.A49 H = 8.2463(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.3849e-01 1.A49 N = 125.1585(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.8591e-01 1.D50 C = 176.5444(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.3424e-01 1.D50 CA = 54.5366(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.3976e-01 1.D50 CB = 40.2216(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.8443e-01 1.D50 H = 8.0950(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.1087e-01 1.D50 N = 118.4017(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.6026e-01 1.I51 C = 176.5604(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.1138e-01 1.I51 CA = 62.5005(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.3968e-01 1.I51 CB = 38.6136(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.9352e-01 1.I51 H = 7.8527(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.2975e-01 1.I51 N = 120.7563(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.6940e-01 1.A52 C = 178.8093(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.1565e-01 1.A52 CA = 53.5576(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.3296e-01 1.A52 CB = 18.8739(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.4071e-01 1.A52 H = 8.1591(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4565e-01 1.A52 N = 124.8495(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.4732e-01 1.Q53 C = 176.4594(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.3893e-01 1.Q53 CA = 56.8130(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.0959e-01 1.Q53 CB = 29.2222(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.8588e-01 1.Q53 H = 8.1039(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.4400e-01 1.Q53 N = 117.8191(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.6512e-01 1.N54 C = 175.9410(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.0776e-01 1.N54 CA = 53.8222(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.8068e-01 1.N54 CB = 39.1058(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.0565e-01 1.N54 H = 8.1997(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.2377e-01 1.N54 N = 118.0866(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.3423e-01 1.E56 CA = 58.3273(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.2983e-01 1.E56 CB = 28.5238(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.8755e-01 1.E56 H = 8.4716(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1033e-01 1.E56 N = 116.7194(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.5628e-01 1.F57 C = 176.9410(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.4468e-01 1.F57 CA = 59.8857(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.8230e-01 1.F57 CB = 39.2226(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.1349e-01 1.F57 H = 7.8781(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.0330e-01 1.F57 N = 119.0143(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.3125e-01 1.Y58 C = 176.5972(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.4744e-01 1.Y58 CA = 59.8777(D), Expected = 58.13, Std = 2.5100, ChiSquare = 4.8624e-01 1.Y58 CB = 38.8253(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.1885e-01 1.Y58 H = 7.6423(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.5322e-01 1.Y58 N = 115.7794(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.5902e-01 1.K59 C = 176.5401(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.6016e-01 1.K59 CA = 58.7170(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.2187e-01 1.K59 CB = 28.6038(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.8683e-02 1.K59 H = 7.7971(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.1258e-01 1.K59 N = 120.0298(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.8669e-01 1.N60 C = 174.5568(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.9031e-01 1.N60 CA = 53.0862(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.0926e-01 1.N60 CB = 39.9919(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.4109e-01 1.N60 H = 7.6008(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.4066e-01 1.N60 N = 114.4010(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.6109e-01 1.A61 C = 177.1255(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.7297e-01 1.A61 CA = 52.3313(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.8295e-01 1.A61 CB = 20.1681(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.2684e-01 1.A61 H = 7.8066(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.1204e-01 1.A61 N = 123.9332(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.4254e-01 1.E62 C = 175.3955(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.4956e-01 1.E62 CA = 55.7511(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.5285e-01 1.E62 CB = 28.2246(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.9926e-01 1.E62 H = 8.6036(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.4284e-01 1.E62 N = 120.1132(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.7288e-01 1.V63 C = 174.0726(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.1540e-01 1.V63 CA = 60.4669(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.7933e-01 1.V63 CB = 34.5338(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.1359e-01 1.V63 H = 7.5827(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.9112e-01 1.V63 N = 119.9135(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.8704e-01 1.P66 C = 174.2633(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.9595e-02 1.P66 CA = 62.8056(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.3009e-01 1.P66 CB = 28.7292(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.1752e-03 1.F67 C = 175.4927(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.7086e-01 1.F67 CA = 55.1053(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.4708e-01 1.F67 CB = 43.0939(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.3751e-01 1.F67 H = 7.2753(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.3193e-01 1.F67 N = 118.5177(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.4389e-01 1.T68 C = 176.1449(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.6183e-01 1.T68 CA = 60.7836(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.7917e-01 1.T68 CB = 70.4268(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.6903e-01 1.T68 H = 8.7445(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.1581e-01 1.T68 N = 112.6278(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.5665e-01 1.Y69 C = 178.5028(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.1895e-01 1.Y69 CA = 63.5490(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.0853e-02 1.Y69 CB = 38.4582(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.8991e-01 1.Y69 H = 8.9085(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.2015e-01 1.Y69 N = 120.2007(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.3940e-01 1.A70 C = 179.2244(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.8586e-01 1.A70 CA = 56.1346(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.3043e-01 1.A70 CB = 17.3185(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.5532e-01 1.A70 H = 8.9788(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.9429e-01 1.A70 N = 118.8640(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.1745e-01 1.S71 CA = 61.9679(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.1664e-01 1.S71 CB = 62.9573(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.6909e-01 1.S71 H = 7.9395(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.6386e-01 1.S71 N = 113.4852(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.2721e-01 1.L72 C = 176.9155(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.6999e-01 1.L72 CA = 57.8201(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.0165e-01 1.L72 CB = 42.9473(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.3462e-01 1.L72 H = 7.8446(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.5323e-01 1.L72 N = 123.8061(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.1778e-01 1.I73 C = 177.2056(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.8016e-01 1.I73 CA = 65.9707(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.0371e-01 1.I73 CB = 38.2900(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.6633e-01 1.I73 H = 8.6339(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.0276e-01 1.I73 N = 118.2734(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.5655e-01 1.R74 C = 176.5350(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.5090e-01 1.R74 CA = 60.4052(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.1556e-01 1.R74 CB = 30.3601(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.5265e-01 1.R74 H = 7.8387(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.1062e-01 1.R74 N = 116.3056(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.2197e-01 1.Q75 C = 176.6887(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.4602e-01 1.Q75 CA = 59.0559(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.4538e-01 1.Q75 CB = 28.0148(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.1846e-01 1.Q75 H = 7.6281(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.1575e-01 1.Q75 N = 118.3261(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.6399e-01 1.A76 C = 179.9639(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.9645e-01 1.A76 CA = 54.7951(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.0321e-01 1.A76 CB = 16.5368(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.7654e-01 1.A76 H = 7.3909(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.7750e-01 1.A76 N = 120.5700(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.5240e-01 1.I77 C = 179.7370(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.2921e-02 1.I77 CA = 65.7124(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.2583e-01 1.I77 CB = 38.4784(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.4018e-01 1.I77 H = 7.6417(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.4790e-01 1.I77 N = 115.2441(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.4641e-01 1.L78 C = 178.5430(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.3284e-01 1.L78 CA = 57.6553(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3930e-01 1.L78 CB = 41.1261(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.2887e-01 1.L78 H = 8.7057(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.6426e-01 1.L78 N = 120.2433(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.7848e-01 1.E79 C = 176.7707(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.5939e-01 1.E79 CA = 56.7007(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.6699e-01 1.E79 CB = 29.4316(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.3666e-01 1.E79 H = 7.7192(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.0055e-01 1.E79 N = 116.0455(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.8389e-01 1.S80 C = 174.6080(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.9443e-01 1.S80 CA = 57.4618(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.4330e-01 1.S80 CB = 63.8093(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.9499e-01 1.S80 H = 7.5604(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.2259e-01 1.S80 N = 118.6501(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.0074e-01 1.W93 CA = 57.9198(D), Expected = 57.66, Std = 2.5800, ChiSquare = 9.1979e-01 1.W93 CB = 29.5025(D), Expected = 30.01, Std = 2.0100, ChiSquare = 8.0066e-01 1.F94 C = 178.0564(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.8523e-01 1.F94 CA = 63.3958(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.8602e-02 1.F94 CB = 40.3611(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.5907e-01 1.F94 H = 8.5327(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.1044e-01 1.F94 N = 118.5237(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.4492e-01 1.T95 C = 176.2979(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.1789e-01 1.T95 CA = 65.1761(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.5372e-01 1.T95 CB = 68.9959(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.5244e-01 1.T95 H = 8.1070(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.3014e-01 1.T95 N = 106.4930(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.0194e-02 1.R96 C = 178.6781(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.6387e-01 1.R96 CA = 58.6621(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.1273e-01 1.R96 CB = 30.6311(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.6997e-01 1.R96 H = 8.0732(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.8451e-01 1.R96 N = 122.1147(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.2090e-01 1.M97 C = 176.2495(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.7347e-01 1.M97 CA = 55.4854(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.7941e-01 1.M97 CB = 32.0404(D), Expected = 32.99, Std = 2.2400, ChiSquare = 6.7162e-01 1.M97 H = 7.5631(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.4544e-01 1.M97 N = 115.1289(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.6463e-01 1.F98 CA = 55.8241(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.8006e-01 1.F98 CB = 41.1734(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.7124e-01 1.A99 C = 179.5411(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.9778e-01 1.A99 CA = 54.9442(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.6218e-01 1.A99 CB = 17.8279(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.1831e-01 1.A99 H = 8.4947(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.2331e-01 1.A99 N = 127.2247(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.5913e-01 1.Y100 C = 176.4478(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.9852e-01 1.Y100 CA = 61.3956(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.9325e-01 1.Y100 CB = 40.1975(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.8456e-01 1.Y100 H = 9.1960(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.3014e-01 1.Y100 N = 117.2909(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.4199e-01 1.R103 CA = 55.8216(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.8139e-01 1.R103 CB = 32.2020(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.1178e-01 1.N104 C = 174.9663(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.6527e-01 1.N104 CA = 53.7527(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.0992e-01 1.N104 CB = 38.4424(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.8352e-01 1.N104 H = 8.4461(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.6626e-01 1.N104 N = 117.0711(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.4461e-01 1.A105 C = 177.6087(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.5085e-01 1.A105 CA = 53.6901(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.8114e-01 1.A105 CB = 19.3989(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.3171e-01 1.A105 H = 8.1194(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.9314e-01 1.A105 N = 121.9052(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.0823e-01 1.A106 C = 176.2144(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.7384e-01 1.A106 CA = 54.2218(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.8482e-01 1.A106 CB = 18.9121(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.5734e-01 1.A106 H = 8.3515(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0065e-01 1.A106 N = 118.8441(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.1536e-01 1.T107 C = 179.9067(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.2940e-03 1.T107 CA = 65.3747(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.2321e-01 1.T107 CB = 68.8873(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.0516e-01 1.T107 H = 7.8593(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.3919e-01 1.T107 N = 111.8620(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.5383e-01 1.W108 C = 177.9860(D), Expected = 176.12, Std = 2.0100, ChiSquare = 3.5322e-01 1.W108 CA = 59.1704(D), Expected = 57.66, Std = 2.5800, ChiSquare = 5.5826e-01 1.W108 CB = 28.9395(D), Expected = 30.01, Std = 2.0100, ChiSquare = 5.9432e-01 1.W108 H = 7.7768(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.1594e-01 1.W108 N = 121.4187(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.5016e-01 1.K109 CA = 60.9411(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.9657e-02 1.K109 CB = 31.1367(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.5298e-01 1.N110 C = 177.3492(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.4541e-01 1.N110 CA = 55.9896(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.9258e-01 1.N110 CB = 38.2861(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.1111e-01 1.N110 H = 7.3642(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.2141e-01 1.N110 N = 117.3422(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.9358e-01 1.A111 C = 181.6143(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.8924e-02 1.A111 CA = 55.2785(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.8012e-01 1.A111 CB = 17.6670(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.6302e-01 1.A111 H = 7.4193(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.9320e-01 1.A111 N = 123.5020(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.3875e-01 1.S117 CA = 60.5778(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.6946e-01 1.S117 CB = 63.9103(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.4059e-01 1.L118 C = 177.2613(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.9102e-01 1.L118 CA = 56.1062(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.1944e-01 1.L118 CB = 44.2394(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.0476e-01 1.L118 H = 7.6671(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.8649e-01 1.L118 N = 119.0575(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.7239e-01 1.H119 C = 174.1230(D), Expected = 175.25, Std = 1.9700, ChiSquare = 5.6727e-01 1.H119 CA = 55.6710(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.1322e-01 1.H119 CB = 29.4959(D), Expected = 30.24, Std = 2.0700, ChiSquare = 7.1924e-01 1.H119 H = 7.5028(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.7831e-01 1.H119 N = 115.4766(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.9218e-01 1.K120 C = 177.2114(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.7511e-01 1.K120 CA = 57.5875(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.7199e-01 1.K120 CB = 31.7219(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.4847e-01 1.K120 H = 8.5939(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.0084e-01 1.K120 N = 123.1633(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.7510e-01 1.G130 C = 171.7551(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.6061e-01 1.G130 CA = 44.5640(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.5749e-01 1.G130 H = 7.8155(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.2863e-01 1.G130 N = 109.4970(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.6434e-01 1.A131 C = 177.0196(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.3520e-01 1.A131 CA = 51.8913(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.2827e-01 1.A131 CB = 19.2192(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.0899e-01 1.A131 H = 8.1673(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.5654e-01 1.A131 N = 124.3664(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.4820e-01 1.W133 C = 175.4020(D), Expected = 176.12, Std = 2.0100, ChiSquare = 7.2093e-01 1.W133 CA = 56.6657(D), Expected = 57.66, Std = 2.5800, ChiSquare = 6.9995e-01 1.W133 CB = 31.2446(D), Expected = 30.01, Std = 2.0100, ChiSquare = 5.3906e-01 1.W133 H = 9.0161(D), Expected = 8.29, Std = 0.7900, ChiSquare = 3.5804e-01 1.W133 N = 122.4855(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.4719e-01 1.T134 C = 173.2193(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.5302e-01 1.T134 CA = 59.5148(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.9626e-01 1.T134 CB = 72.5328(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.5522e-02 1.T134 H = 8.8479(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.2685e-01 1.T134 N = 113.0243(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.1401e-01 1.V135 C = 175.3461(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.8538e-01 1.V135 CA = 59.7366(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.3568e-01 1.V135 CB = 34.7233(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.6546e-01 1.V135 H = 8.8849(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.7459e-01 1.V135 N = 118.9718(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.3295e-01 1.D136 C = 175.9411(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.9315e-01 1.D136 CA = 53.3503(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.0929e-01 1.D136 CB = 39.9724(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.7531e-01 1.D136 H = 9.1926(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.2808e-01 1.D136 N = 126.7116(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.1633e-01 1.E137 C = 177.2139(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.6001e-01 1.E137 CA = 57.1849(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.4846e-01 1.E137 CB = 29.9845(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.8817e-01 1.E137 H = 8.5723(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.8131e-01 1.E137 N = 123.4897(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.1779e-01 1.V138 C = 177.4007(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.4865e-01 1.V138 CA = 64.3128(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.2390e-01 1.V138 CB = 32.0427(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.0100e-01 1.V138 H = 7.9868(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.5088e-01 1.V138 N = 119.9302(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.8987e-01 1.E139 C = 177.1983(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.6630e-01 1.E139 CA = 57.1321(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.2836e-01 1.E139 CB = 29.1359(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.1131e-01 1.E139 H = 7.8967(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.6270e-01 1.E139 N = 120.7460(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.8258e-01 1.F140 C = 176.3268(D), Expected = 175.42, Std = 1.9900, ChiSquare = 6.4862e-01 1.F140 CA = 59.2400(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.5173e-01 1.F140 CB = 39.4579(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.9904e-01 1.F140 H = 8.2153(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.4072e-01 1.F140 N = 119.8201(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.8022e-01 1.Q141 C = 176.2326(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.6834e-01 1.Q141 CA = 56.4687(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.6225e-01 1.Q141 CB = 29.1724(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.9228e-01 1.Q141 H = 8.0015(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.1113e-01 1.Q141 N = 118.8129(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.6479e-01 1.K142 C = 176.6339(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.9757e-01 1.K142 CA = 57.0027(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.8089e-01 1.K142 CB = 33.0179(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.9812e-01 1.K142 H = 7.9338(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.6938e-01 1.K142 N = 120.8397(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.5552e-01 1.R143 C = 175.9246(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.1102e-01 1.R143 CA = 55.8676(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.9606e-01 1.R143 CB = 30.8214(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.4711e-01 1.R143 H = 8.0126(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.0931e-01 1.R143 N = 120.9281(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.7223e-01 1.R144 C = 174.1815(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.7230e-01 1.R144 CA = 54.1319(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.5344e-01 1.R144 CB = 30.1530(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.6501e-01 1.R144 H = 8.2488(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.8849e-01 1.R144 N = 123.5120(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.6115e-01 1.P145 C = 176.7537(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.9804e-01 1.P145 CA = 63.1968(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.3017e-01 1.P145 CB = 32.1937(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.7084e-01 1.Q146 C = 175.7779(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.8495e-01 1.Q146 CA = 55.7669(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.0745e-01 1.Q146 CB = 30.0383(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.4114e-01 1.Q146 H = 8.4543(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.9128e-01 1.Q146 N = 121.0406(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.4926e-01 1.K147 C = 176.3807(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.9684e-01 1.K147 CA = 56.3607(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.8880e-01 1.K147 CB = 33.2614(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.9114e-01 1.K147 H = 8.3707(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.6329e-01 1.K147 N = 123.0394(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.9771e-01 1.I148 C = 176.1683(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.6833e-01 1.I148 CA = 61.2837(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.0309e-01 1.I148 CB = 38.9189(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.8627e-01 1.I148 H = 8.3073(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.6798e-01 1.I148 N = 122.9637(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.2534e-01 1.S149 C = 173.8681(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.6200e-01 1.S149 CA = 58.2331(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.1404e-01 1.S149 CB = 64.2220(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.7554e-01 1.S149 H = 8.3315(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.3044e-01 1.S149 N = 119.7983(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.1754e-01 1.G150 C = 178.5316(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.3154e-02 1.G150 CA = 45.9889(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.3351e-01 1.G150 H = 8.0454(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.6150e-01 1.G150 N = 116.3829(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.2812e-02