Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.3 G 0.29 R 0.26 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> CA :: 44.07 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.77 HA3 :: 3.77 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.28 CB :: 63.99 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.48 HB2 :: 3.80 HB3 :: 3.80 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.66 Ave N Shift Values>> N :: 116.28(3.52) 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.17 E 0.15 W 0.15 Q 0.13 M 0.09 K 0.08 V 0.01 C Shift Assignments>> CA :: 56.59 CB :: 30.61 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.56 HB2 :: 2.97 HB3 :: 2.94 HD2 :: 6.89 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 :: 121.50 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 Q 0.21 K 0.03 C Shift Assignments>> C :: 176.59 CA :: 55.77 CB :: 32.46 CG :: 31.93 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>> HA :: 4.38 HB2 :: 2.04 HB3 :: 2.04 HG2 :: 2.42 HG3 :: 2.34 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 :: 121.72 Ave N Shift Values>> N :: 120.09(3.57) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 174.07 CA :: 45.38 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.40 HA2 :: 3.98 HA3 :: 3.98 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.66 Ave N Shift Values>> N :: 109.67(3.87) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.22 Q 0.05 K 0.05 I 0.02 HN Overlap>> 1.L115 1.L115 C Shift Assignments>> C :: 176.19 CA :: 56.30 CB :: 30.71 CG :: 36.46 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 :: 8.19 HA :: 4.48 HB2 :: 2.17 HB3 :: 1.97 HG2 :: 2.29 HG3 :: 2.29 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 :: 120.16 Ave N Shift Values>> N :: 120.67(3.48) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.45 K 0.33 M 0.14 R 0.03 E 0.02 C Shift Assignments>> C :: 173.63 CA :: 53.05 CB :: 29.52 CG :: 33.44 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 :: 8.56 HA :: 4.79 HB2 :: 1.97 HB3 :: 2.16 HG2 :: 2.44 HG3 :: 2.44 HE21 :: 6.88 HE22 :: 7.51 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.91 NE2 :: 112.83 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.13 CA :: 62.52 CB :: 32.21 CG :: 26.82 CD :: 50.41 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.78 HB2 :: 1.49 HB3 :: 1.34 HG2 :: 1.89 HG3 :: 1.84 HD2 :: 3.80 HD3 :: 3.74 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.40 CA :: 62.00 CB :: 39.02 CG1 :: 27.52 CG2 :: 18.29 CD1 :: 13.75 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 :: 8.58 HA :: 4.21 HB :: 1.79 HG12 :: 1.47 HG13 :: 1.18 HG21 :: 1.03 HG22 :: 1.03 HG23 :: 1.03 HD11 :: 0.76 HD12 :: 0.76 HD13 :: 0.76 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 :: 119.00 Ave N Shift Values>> N :: 121.46(4.28) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 F 0.45 C Shift Assignments>> C :: 173.53 CA :: 58.42 CB :: 41.92 CD1 :: 132.22 CD2 :: 132.22 CE1 :: 132.26 CE2 :: 132.26 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 :: 7.23 HA :: 4.73 HB2 :: 3.48 HB3 :: 2.71 HD1 :: 7.34 HD2 :: 7.34 HE1 :: 7.38 HE2 :: 7.38 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 :: 118.73 Ave N Shift Values>> N :: 120.45(4.18) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.82 T 0.17 C Shift Assignments>> C :: 170.62 CA :: 57.55 CB :: 66.58 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.92 HA :: 5.43 HB2 :: 3.40 HB3 :: 3.66 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.30 Ave N Shift Values>> N :: 116.28(3.52) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.72 CA :: 59.45 CB :: 70.02 CG2 :: 20.46 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 :: 8.91 HA :: 4.62 HB :: 4.21 HG21 :: 1.39 HG22 :: 1.39 HG23 :: 1.39 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 :: 118.36 Ave N Shift Values>> N :: 115.42(4.75) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 K 0.14 G 0.11 C Shift Assignments>> C :: 175.04 CA :: 54.30 CB :: 32.69 CG :: 27.04 CD :: 43.17 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 :: 8.17 HA :: 5.36 HB2 :: 1.64 HB3 :: 1.47 HG2 :: 1.49 HG3 :: 1.41 HD2 :: 3.01 HD3 :: 3.01 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 :: 123.17 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.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 L 0.43 K 0.01 C Shift Assignments>> C :: 176.00 CA :: 51.55 CB :: 22.43 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.06 HA :: 4.52 HB1 :: 0.56 HB2 :: 0.56 HB3 :: 0.56 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.52 Ave N Shift Values>> N :: 123.23(3.54) 1.H15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.57 H 0.42 C Shift Assignments>> C :: 174.69 CA :: 58.12 CB :: 31.63 CE1 :: 139.47 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 :: 8.67 HA :: 4.17 HB2 :: 3.10 HB3 :: 2.83 HD2 :: 6.64 HE1 :: 7.72 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 :: 120.05 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.12 CA :: 62.35 CB :: 33.38 CG1 :: 21.90 CG2 :: 21.25 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 :: 7.86 HA :: 4.59 HB :: 1.58 HG11 :: 0.97 HG12 :: 0.97 HG13 :: 0.97 HG21 :: 0.66 HG22 :: 0.66 HG23 :: 0.66 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 :: 122.55 Ave N Shift Values>> N :: 121.14(4.54) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 Y 0.09 C Shift Assignments>> C :: 175.00 CA :: 56.20 CB :: 45.38 CD1 :: 132.66 CD2 :: 132.66 CE1 :: 133.97 CE2 :: 133.97 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.59 HA :: 5.54 HB2 :: 3.25 HB3 :: 2.60 HD1 :: 6.93 HD2 :: 6.93 HE1 :: 7.17 HE2 :: 7.17 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 :: 127.38 Ave N Shift Values>> N :: 120.45(4.18) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 E 0.2 Q 0.04 C Shift Assignments>> C :: 175.72 CA :: 54.70 CB :: 34.62 CG :: 35.55 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.17 HA :: 5.69 HB2 :: 2.08 HB3 :: 1.95 HG2 :: 2.35 HG3 :: 2.35 HE21 :: 7.33 HE22 :: 7.03 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 :: 117.30 NE2 :: 111.98 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.04 CA :: 59.66 CB :: 39.06 CG1 :: 28.38 CG2 :: 17.88 CD1 :: 11.67 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 :: 7.83 HA :: 3.85 HB :: 0.99 HG12 :: 0.51 HG13 :: 0.30 HG21 :: 0.40 HG22 :: 0.40 HG23 :: 0.40 HD11 :: -0.45(S) HD12 :: -0.45(S) HD13 :: -0.45(S) 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 :: 124.25 Ave N Shift Values>> N :: 121.46(4.28) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.3 R 0.11 N 0.07 K 0.07 G 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.47 CA :: 51.81 CB :: 42.52 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 :: 8.32 HA :: 4.60 HB2 :: 2.84 HB3 :: 2.55 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 :: 127.75 Ave N Shift Values>> N :: 120.65(3.86) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.34 CA :: 64.06 CB :: 32.16 CG :: 26.96 CD :: 50.85 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.26 HB2 :: 2.28 HB3 :: 1.93 HG2 :: 2.04 HG3 :: 1.93 HD2 :: 3.89 HD3 :: 3.96 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 D 0.21 Y 0.18 F 0.18 L 0.09 I 0.01 C Shift Assignments>> C :: 176.03 CA :: 55.03 CB :: 39.12 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 :: 8.45 HA :: 4.67 HB2 :: 2.95 HB3 :: 2.85 HD21 :: 7.92 HD22 :: 7.06 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.92 ND2 :: 114.94 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.82 CA :: 61.73 CB :: 70.67 CG2 :: 21.34 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 :: 7.94 HA :: 4.35 HB :: 4.21 HG21 :: 1.17 HG22 :: 1.17 HG23 :: 1.17 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 :: 109.58 Ave N Shift Values>> N :: 115.42(4.75) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 176.04 CA :: 57.66 CB :: 30.20 CG :: 25.05 CD :: 28.98 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 :: 8.21 HA :: 3.89 HB2 :: 1.89 HB3 :: 1.81 HG2 :: 1.24 HG3 :: 1.27 HD2 :: 1.61 HD3 :: 1.52 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 :: 117.66 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.11 G 0.01 C Shift Assignments>> C :: 175.00 CA :: 56.52 CB :: 34.45 CG :: 24.56 CD :: 29.04 CE :: 42.12 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 :: 7.84 HA :: 4.22 HB2 :: 1.72 HB3 :: 1.55 HG2 :: 1.33 HG3 :: 1.26 HD2 :: 1.59 HD3 :: 1.59 HE2 :: 2.95 HE3 :: 2.95 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.78 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.33 L 0.15 F 0.06 Y 0.04 K 0.02 C Shift Assignments>> C :: 173.25 CA :: 52.46 CB :: 40.52 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 :: 7.42 HA :: 4.71 HB2 :: 2.75 HB3 :: 2.62 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.69 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 HN Overlap>> 1.S52 1.S52 1.A103 1.A103 C Shift Assignments>> C :: 176.50 CA :: 56.94 CB :: 31.13 CE3 :: 119.78 CZ2 :: 115.38 CZ3 :: 121.53 CH2 :: 124.66 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.52 HA :: 4.68 HB2 :: 2.94 HB3 :: 2.94 HD1 :: 6.88 HE1 :: 9.71 HE3 :: 7.10 HZ2 :: 7.38 HZ3 :: 6.83 HH2 :: 6.76 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 :: 121.55 NE1 :: 128.25 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 A 0.01 C Shift Assignments>> C :: 174.53 CA :: 59.17 CB :: 33.98 CG1 :: 20.58 CG2 :: 20.58 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.60 HA :: 4.84 HB :: 2.32 HG11 :: 1.03 HG12 :: 1.03 HG13 :: 1.03 HG21 :: 1.03 HG22 :: 1.03 HG23 :: 1.03 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.20 Ave N Shift Values>> N :: 121.14(4.54) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.60 CA :: 63.25 CB :: 32.12 CG :: 27.64 CD :: 51.27 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.42 HB2 :: 1.93 HB3 :: 2.19 HG2 :: 2.18 HG3 :: 2.28 HD2 :: 3.99 HD3 :: 4.13 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.82 CA :: 62.64 CB :: 68.83 CG2 :: 23.29 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.00 HA :: 4.38 HB :: 4.04 HG21 :: 1.24 HG22 :: 1.24 HG23 :: 1.24 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 :: 118.73 Ave N Shift Values>> N :: 115.42(4.75) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 173.90 CA :: 56.84 CB :: 66.05 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.42 HA :: 4.66 HB2 :: 4.11 HB3 :: 3.50 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.19 Ave N Shift Values>> N :: 116.28(3.52) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.75 R 0.23 G 0.01 C Shift Assignments>> C :: 175.94 CA :: 57.73 CB :: 32.57 CG :: 24.99 CD :: 28.97 CE :: 42.10 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>> HA :: 4.12 HB2 :: 1.66 HB3 :: 1.66 HG2 :: 1.29 HG3 :: 1.22 HD2 :: 1.62 HD3 :: 1.62 HE2 :: 2.97 HE3 :: 2.97 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) 1.H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.61 W 0.37 C Shift Assignments>> C :: 174.00 CA :: 53.30 CB :: 32.23 CD2 :: 120.28 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 :: 7.54 HA :: 4.72 HB2 :: 3.27 HB3 :: 2.96 HD2 :: 6.92 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 :: 115.20 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.27 C Shift Assignments>> C :: 176.98 CA :: 52.77 CB :: 17.79 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.33 HA :: 3.51 HB1 :: 0.91 HB2 :: 0.91 HB3 :: 0.91 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.50 Ave N Shift Values>> N :: 123.23(3.54) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 A 0.05 I 0.04 C Shift Assignments>> C :: 175.25 CA :: 59.12 CB :: 35.67 CG1 :: 22.49 CG2 :: 19.11 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 :: 8.38 HA :: 4.62 HB :: 2.27 HG11 :: 0.89 HG12 :: 0.89 HG13 :: 0.89 HG21 :: 0.74 HG22 :: 0.74 HG23 :: 0.74 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 :: 116.59 Ave N Shift Values>> N :: 121.14(4.54) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.44 CA :: 63.82 CB :: 68.98 CG2 :: 22.43 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 :: 8.75 HA :: 4.72 HB :: 4.13 HG21 :: 1.26 HG22 :: 1.26 HG23 :: 1.26 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.30 Ave N Shift Values>> N :: 115.42(4.75) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.62 CA :: 62.30 CB :: 33.71 CG1 :: 20.29 CG2 :: 21.95 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.23 HA :: 4.34 HB :: 1.76 HG11 :: 0.76 HG12 :: 0.76 HG13 :: 0.76 HG21 :: 0.78 HG22 :: 0.78 HG23 :: 0.78 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 :: 132.54 Ave N Shift Values>> N :: 121.14(4.54) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.66 S 0.33 HN Overlap>> 1.T73 1.T73 C Shift Assignments>> C :: 172.34 CA :: 57.25 CB :: 67.53 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.61 HA :: 5.75 HB2 :: 3.68 HB3 :: 3.58 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 :: 120.72 Ave N Shift Values>> N :: 116.28(3.52) 1.Y39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.54 CA :: 56.87 CB :: 41.57 CD1 :: 133.38 CD2 :: 133.38 CE1 :: 118.12 CE2 :: 118.12 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 :: 8.70 HA :: 5.62 HB2 :: 2.74 HB3 :: 2.50 HD1 :: 6.88 HD2 :: 6.88 HE1 :: 5.92(S) HE2 :: 5.92(S) 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 :: 118.83 Ave N Shift Values>> N :: 120.52(4.2) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.36 G 0.2 C Shift Assignments>> C :: 174.13 CA :: 57.02 CB :: 43.70 CD1 :: 132.44 CD2 :: 132.44 CE1 :: 131.90 CE2 :: 131.90 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.59 HA :: 4.85 HB2 :: 2.55 HB3 :: 3.00 HD1 :: 7.04 HD2 :: 7.04 HE1 :: 7.17 HE2 :: 7.17 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 :: 120.33 Ave N Shift Values>> N :: 120.45(4.18) 1.Y41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.75 CA :: 56.03 CB :: 40.28 CD1 :: 133.47 CD2 :: 133.47 CE1 :: 117.41 CE2 :: 117.41 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 :: 9.04 HA :: 4.67 HB2 :: 2.60 HB3 :: 2.67 HD1 :: 5.94(S) HD2 :: 5.94(S) HE1 :: 6.26 HE2 :: 6.26 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 :: 121.28 Ave N Shift Values>> N :: 120.52(4.2) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 L 0.23 N 0.17 K 0.07 F 0.04 R 0.02 Y 0.02 C Shift Assignments>> C :: 175.87 CA :: 51.66 CB :: 41.66 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 :: 8.34 HA :: 4.59 HB2 :: 2.21 HB3 :: 2.73 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.53 Ave N Shift Values>> N :: 120.65(3.86) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.66 CA :: 60.00 CB :: 63.14 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.49 HA :: 3.72 HB2 :: 3.84 HB3 :: 4.05 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 :: 120.34 Ave N Shift Values>> N :: 116.28(3.52) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.88 CA :: 65.19 CB :: 68.45 CG2 :: 21.75 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 :: 8.24 HA :: 4.12 HB :: 4.21 HG21 :: 1.18 HG22 :: 1.18 HG23 :: 1.18 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 :: 118.06 Ave N Shift Values>> N :: 115.42(4.75) 1.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.61 K 0.33 G 0.05 C Shift Assignments>> C :: 175.34 CA :: 55.56 CB :: 31.96 CG :: 27.80 CD :: 42.96 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 :: 7.23 HA :: 4.25 HB2 :: 1.88 HB3 :: 1.21 HD2 :: 3.06 HD3 :: 3.06 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 :: 118.88 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.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 E 0.2 M 0.14 Y 0.09 F 0.06 K 0.03 D 0.02 Q 0.01 C Shift Assignments>> C :: 173.76 CA :: 53.88 CB :: 36.59 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 :: 7.97 HA :: 4.09 HB2 :: 2.62 HB3 :: 3.31 HD21 :: 7.72 HD22 :: 7.00 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 :: 118.08 ND2 :: 112.86 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 A 0.07 I 0.01 C Shift Assignments>> C :: 173.18 CA :: 59.02 CB :: 36.23 CG1 :: 21.67 CG2 :: 19.45 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.96 HA :: 4.71 HB :: 2.10 HG11 :: 0.85 HG12 :: 0.85 HG13 :: 0.85 HG21 :: 0.67 HG22 :: 0.67 HG23 :: 0.67 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 :: 109.58 Ave N Shift Values>> N :: 121.14(4.54) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.12 CA :: 57.59 CB :: 41.05 CD1 :: 132.78 CD2 :: 132.78 CE1 :: 118.69 CE2 :: 118.69 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 :: 9.59 HA :: 5.21 HB2 :: 2.74 HB3 :: 2.44 HD1 :: 6.60 HD2 :: 6.60 HE1 :: 6.21 HE2 :: 6.21 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.28 Ave N Shift Values>> N :: 120.52(4.2) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 R 0.23 K 0.07 C Shift Assignments>> C :: 174.90 CA :: 54.05 CB :: 35.13 CG :: 27.62 CD :: 43.85 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.16 HA :: 5.43 HB2 :: 1.70 HB3 :: 1.42 HG2 :: 1.60 HG3 :: 1.41 HD2 :: 3.05 HD3 :: 3.05 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 :: 118.69 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.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.06 CA :: 60.53 CB :: 39.48 CG1 :: 27.90 CG2 :: 18.39 CD1 :: 14.04 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.18 HA :: 4.72 HB :: 1.56 HG12 :: 0.10 HG13 :: 1.31 HG21 :: 0.64 HG22 :: 0.64 HG23 :: 0.64 HD11 :: 0.23 HD12 :: 0.23 HD13 :: 0.23 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 :: 122.55 Ave N Shift Values>> N :: 121.46(4.28) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 A 0.02 G 0.02 C Shift Assignments>> C :: 175.94 CA :: 58.50 CB :: 41.91 CG1 :: 27.23 CG2 :: 16.88 CD1 :: 12.19 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.10 HA :: 4.96 HB :: 1.72 HG12 :: 1.32 HG13 :: 1.05 HG21 :: 0.79 HG22 :: 0.79 HG23 :: 0.79 HD11 :: 0.45 HD12 :: 0.45 HD13 :: 0.45 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 :: 125.50 Ave N Shift Values>> N :: 121.46(4.28) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 HN Overlap>> 1.A113 1.W27 1.A103 1.A113 1.W27 1.A103 C Shift Assignments>> C :: 173.38 CA :: 57.77 CB :: 66.25 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.46 HA :: 4.85 HB2 :: 3.68 HB3 :: 3.39 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 :: 121.61 Ave N Shift Values>> N :: 116.28(3.52) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 G 0.44 R 0.05 A 0.02 C Shift Assignments>> C :: 175.59 CA :: 54.25 CB :: 44.55 CG :: 27.82 CD1 :: 23.71 CD2 :: 25.36 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.12 HA :: 5.15 HB2 :: 1.68 HB3 :: 1.50 HG :: 1.50 HD11 :: 0.71 HD12 :: 0.71 HD13 :: 0.71 HD21 :: 0.85 HD22 :: 0.85 HD23 :: 0.85 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.51 Ave N Shift Values>> N :: 121.86(3.9) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.29 K 0.1 R 0.09 N 0.07 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 177.07 CA :: 52.63 CB :: 42.23 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 :: 8.82 HA :: 4.88 HB2 :: 2.42 HB3 :: 2.85 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 :: 120.88 Ave N Shift Values>> N :: 120.65(3.86) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.81 CA :: 47.05 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.70 HA2 :: 4.12 HA3 :: 3.68 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.39 Ave N Shift Values>> N :: 109.67(3.87) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.69 CA :: 58.52 CB :: 63.78 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.46 HB2 :: 4.03 HB3 :: 3.90 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 :: 120.73 Ave N Shift Values>> N :: 116.28(3.52) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.12 G 0.01 C Shift Assignments>> C :: 174.97 CA :: 55.28 CB :: 34.24 CG :: 24.61 CD :: 29.27 CE :: 42.16 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 :: 7.80 HA :: 4.42 HB2 :: 1.95 HB3 :: 1.84 HG2 :: 1.43 HG3 :: 1.31 HD2 :: 1.72 HD3 :: 1.72 HE2 :: 3.01 HE3 :: 3.01 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 :: 123.05 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.27 C Shift Assignments>> C :: 177.40 CA :: 52.19 CB :: 17.25 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.81 HB1 :: 1.29 HB2 :: 1.29 HB3 :: 1.29 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.31 Ave N Shift Values>> N :: 123.23(3.54) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.50 CA :: 62.62 CB :: 38.71 CG1 :: 26.73 CG2 :: 18.61 CD1 :: 14.12 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 :: 8.68 HA :: 4.38 HB :: 1.95 HG12 :: 1.05 HG13 :: 1.05 HG21 :: 0.99 HG22 :: 0.99 HG23 :: 0.99 HD11 :: 0.82 HD12 :: 0.82 HD13 :: 0.82 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 :: 121.83 Ave N Shift Values>> N :: 121.46(4.28) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 G 0.07 C Shift Assignments>> C :: 175.00 CA :: 62.71 CB :: 42.52 CG1 :: 26.67 CG2 :: 16.90 CD1 :: 14.74 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 :: 7.69 HA :: 3.92 HB :: 1.31 HG21 :: 0.51 HG22 :: 0.51 HG23 :: 0.51 HD11 :: 0.76 HD12 :: 0.76 HD13 :: 0.76 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.72 Ave N Shift Values>> N :: 121.46(4.28) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.1 Y 0.08 F 0.07 E 0.03 M 0.02 L 0.02 C Shift Assignments>> C :: 174.51 CA :: 53.30 CB :: 37.88 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 :: 7.73 HA :: 5.14 HB2 :: 2.95 HB3 :: 2.53 HD21 :: 7.39 HD22 :: 6.58 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 :: 124.17 ND2 :: 109.17 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 174.69 CA :: 56.94 CB :: 66.25 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.09 HA :: 5.18 HB2 :: 4.00 HB3 :: 3.91 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 :: 119.11 Ave N Shift Values>> N :: 116.28(3.52) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.84 CA :: 63.23 CB :: 69.50 CG2 :: 21.59 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.12 HA :: 4.61 HB :: 4.14 HG21 :: 1.20 HG22 :: 1.20 HG23 :: 1.20 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 :: 126.53 Ave N Shift Values>> N :: 115.42(4.75) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.06 CA :: 62.62 CB :: 37.34 CG1 :: 27.83 CG2 :: 16.45 CD1 :: 12.79 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 :: 8.71 HA :: 4.38 HB :: 1.74 HG12 :: 1.42 HG13 :: 0.66 HG21 :: 0.49 HG22 :: 0.49 HG23 :: 0.49 HD11 :: 0.45 HD12 :: 0.45 HD13 :: 0.45 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 :: 127.19 Ave N Shift Values>> N :: 121.46(4.28) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 A 0.01 C Shift Assignments>> C :: 173.59 CA :: 58.55 CB :: 68.89 CG2 :: 21.70 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.02 HA :: 5.09 HB :: 4.75 HG21 :: 1.38 HG22 :: 1.38 HG23 :: 1.38 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 :: 120.41 Ave N Shift Values>> N :: 115.42(4.75) 1.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> CA :: 64.78 CB :: 32.21 CG :: 27.72 CD :: 50.89 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.42 HB2 :: 2.35 HB3 :: 2.04 HG2 :: 2.19 HG3 :: 1.83 HD2 :: 3.91 HD3 :: 3.91 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 129.34 Ave N Shift Values>> N :: 134.16(6.62) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.17 Y 0.06 F 0.06 L 0.04 C Shift Assignments>> C :: 175.50 CA :: 52.82 CB :: 38.70 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.92 HB2 :: 3.01 HB3 :: 2.85 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 111.39 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 M 0.45 Q 0.02 C Shift Assignments>> C :: 175.47 CA :: 57.20 CB :: 36.48 CG :: 32.77 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 :: 7.60 HA :: 4.79 HB2 :: 2.60 HB3 :: 2.40 HG2 :: 3.19 HG3 :: 3.19 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 :: 121.66 Ave N Shift Values>> N :: 120.09(3.57) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.00 CA :: 61.85 CB :: 72.30 CG2 :: 21.49 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 :: 8.82 HA :: 4.63 HB :: 4.00 HG21 :: 1.18 HG22 :: 1.18 HG23 :: 1.18 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 :: 115.72 Ave N Shift Values>> N :: 115.42(4.75) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.07 CA :: 56.67 CB :: 38.88 CD1 :: 132.78 CD2 :: 132.78 CE1 :: 130.65 CE2 :: 130.65 CZ :: 128.53 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 :: 8.59 HA :: 4.98 HB2 :: 2.59 HB3 :: 2.59 HD1 :: 7.03 HD2 :: 7.03 HE1 :: 7.25 HE2 :: 7.25 HZ :: 7.10 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 129.38 Ave N Shift Values>> N :: 120.45(4.18) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.10 CA :: 60.89 CB :: 70.84 CG2 :: 21.66 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 :: 8.84 HA :: 4.44 HB :: 3.76 HG21 :: 1.09 HG22 :: 1.09 HG23 :: 1.09 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 :: 124.64 Ave N Shift Values>> N :: 115.42(4.75) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.19 R 0.15 H 0.14 W 0.1 E 0.09 Q 0.07 V 0.02 C Shift Assignments>> C :: 176.03 CA :: 56.35 CB :: 32.14 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 :: 8.83 HA :: 4.58 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 :: 126.50 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.S38 1.S38 C Shift Assignments>> C :: 174.31 CA :: 63.39 CB :: 69.38 CG2 :: 22.08 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 :: 8.65 HA :: 4.33 HB :: 4.22 HG21 :: 1.20 HG22 :: 1.20 HG23 :: 1.20 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 :: 120.66 Ave N Shift Values>> N :: 115.42(4.75) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.78 CA :: 57.30 CB :: 63.77 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.53 HA :: 4.61 HB2 :: 3.96 HB3 :: 4.15 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 :: 116.11 Ave N Shift Values>> N :: 116.28(3.52) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.3 E 0.24 I 0.09 M 0.03 R 0.01 C Shift Assignments>> CA :: 59.60 CB :: 29.29 CG :: 34.57 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>> HA :: 4.08 HB2 :: 2.12 HB3 :: 2.12 HG2 :: 2.53 HG3 :: 2.46 HE21 :: 7.71 HE22 :: 6.96 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 :: 117.03 NE2 :: 112.53 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 Q 0.22 R 0.15 E 0.01 C Shift Assignments>> C :: 174.09 CA :: 55.78 CB :: 33.89 CG :: 25.74 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>> HA :: 4.46 HB2 :: 2.45 HB3 :: 2.35 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 :: 110.84 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F77 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.38 Y 0.32 G 0.28 C Shift Assignments>> C :: 174.37 CA :: 56.45 CB :: 44.00 CD1 :: 132.28 CD2 :: 132.28 CE1 :: 130.26 CE2 :: 130.26 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 :: 7.50 HA :: 6.05 HB2 :: 2.89 HB3 :: 2.62 HD1 :: 6.68 HD2 :: 6.68 HE1 :: 6.02(S) HE2 :: 6.02(S) 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 :: 123.94 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (HE1 > HA : 0.9973) (HE2 > HA : 0.9969) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 169.00 CA :: 45.46 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.09 HA2 :: 4.88 HA3 :: 3.60 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.61 Ave N Shift Values>> N :: 109.67(3.87) 1.Q79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.79 E 0.19 C Shift Assignments>> C :: 173.75 CA :: 53.70 CB :: 35.56(S) CG :: 33.23 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 :: 8.03 HA :: 5.88(S) HB2 :: 2.14 HB3 :: 1.95 HG2 :: 2.14 HG3 :: 2.14 HE21 :: 7.54 HE22 :: 6.92 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 :: 113.42 NE2 :: 111.45 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.97 Y 0.02 C Shift Assignments>> C :: 171.93 CA :: 58.21 CB :: 34.75 CE3 :: 122.80 CZ2 :: 115.61 CZ3 :: 120.98 CH2 :: 122.94 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 :: 9.03 HA :: 5.29 HB2 :: 3.41 HB3 :: 3.41 HD1 :: 7.39 HE1 :: 10.23 HE3 :: 7.75 HZ2 :: 6.97 HZ3 :: 7.00 HH2 :: 6.83 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 :: 119.31 NE1 :: 126.67 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 L 0.02 M 0.02 C Shift Assignments>> C :: 177.31 CA :: 51.23 CB :: 20.38 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.66 HA :: 4.83 HB1 :: 1.55 HB2 :: 1.55 HB3 :: 1.55 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.62 Ave N Shift Values>> N :: 123.23(3.54) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.3 R 0.15 D 0.11 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.38 CA :: 52.73 CB :: 44.03 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 :: 8.54 HA :: 5.21 HB2 :: 2.62 HB3 :: 3.10 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 :: 122.17 Ave N Shift Values>> N :: 120.65(3.86) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.69 CA :: 61.05 CB :: 63.09 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.43 HB2 :: 4.06 HB3 :: 4.04 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 :: 121.33 Ave N Shift Values>> N :: 116.28(3.52) 1.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.81 G 0.08 K 0.07 L 0.01 C Shift Assignments>> C :: 177.87 CA :: 58.70 CB :: 29.61 CG :: 27.38 CD :: 43.13 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 :: 8.49 HA :: 4.26 HB2 :: 2.12 HB3 :: 2.12 HG2 :: 1.84 HG3 :: 1.76 HD2 :: 3.35 HD3 :: 3.35 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 :: 124.20 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.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.04 C Shift Assignments>> C :: 176.88 CA :: 51.77 CB :: 19.66 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.98 HA :: 4.38 HB1 :: 1.45 HB2 :: 1.45 HB3 :: 1.45 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.55 Ave N Shift Values>> N :: 123.23(3.54) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 E 0.1 Y 0.09 M 0.07 F 0.06 D 0.05 L 0.01 K 0.01 C Shift Assignments>> C :: 173.73 CA :: 53.46 CB :: 37.16 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 :: 8.00 HA :: 4.35 HB2 :: 3.22 HB3 :: 2.58 HD21 :: 7.58 HD22 :: 6.80 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.72 ND2 :: 111.98 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.9 A 0.08 C Shift Assignments>> C :: 172.16 CA :: 60.17 CB :: 70.08 CG2 :: 18.11 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 :: 7.75 HA :: 4.50 HB :: 3.69 HG21 :: 0.33(S) HG22 :: 0.33(S) HG23 :: 0.33(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.14 Ave N Shift Values>> N :: 115.42(4.75) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.59 CA :: 61.69 CB :: 34.09 CG1 :: 21.08 CG2 :: 21.59 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 :: 7.91 HA :: 4.35 HB :: 1.64 HG11 :: 0.78 HG12 :: 0.78 HG13 :: 0.78 HG21 :: 0.88 HG22 :: 0.88 HG23 :: 0.88 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 :: 124.73 Ave N Shift Values>> N :: 121.14(4.54) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.25 CA :: 57.66 CB :: 40.13 CD1 :: 133.31 CD2 :: 133.31 CE1 :: 118.75 CE2 :: 118.75 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 :: 8.37 HA :: 4.96 HB2 :: 2.08 HB3 :: 2.08 HD1 :: 6.55 HD2 :: 6.55 HE1 :: 6.84 HE2 :: 6.84 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.53 Ave N Shift Values>> N :: 120.52(4.2) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 L 0.3 R 0.23 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 171.00 CA :: 44.16 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.71 HA2 :: 4.59 HA3 :: 3.77 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.95 Ave N Shift Values>> N :: 109.67(3.87) 1.L91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.82 L 0.16 C Shift Assignments>> C :: 173.76 CA :: 52.25 CB :: 46.38 CG :: 28.09 CD1 :: 25.49 CD2 :: 25.49 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 :: 8.35 HA :: 5.19 HB2 :: 1.30 HB3 :: 0.24(S) HG :: 0.44 HD11 :: 0.76 HD12 :: 0.76 HD13 :: 0.76 HD21 :: 0.76 HD22 :: 0.76 HD23 :: 0.76 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.89 Ave N Shift Values>> N :: 121.86(3.9) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.17 R 0.05 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.38 CA :: 44.85 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.15 HA2 :: 5.02 HA3 :: 3.73 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.31 Ave N Shift Values>> N :: 109.67(3.87) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.92 G 0.07 C Shift Assignments>> C :: 176.16 CA :: 57.98 CB :: 42.63 CD1 :: 132.98 CD2 :: 132.98 CE1 :: 131.81 CE2 :: 131.81 CZ :: 129.16 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.36 HB2 :: 3.58 HB3 :: 2.89 HD1 :: 7.44 HD2 :: 7.44 HE1 :: 7.03 HE2 :: 7.03 HZ :: 6.25 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 :: 124.66 Ave N Shift Values>> N :: 120.45(4.18) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.00 CA :: 60.10 CB :: 63.63 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.51 HB2 :: 4.13 HB3 :: 4.03 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.61 Ave N Shift Values>> N :: 116.28(3.52) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 173.96 CA :: 56.77 CB :: 66.34 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.55 HA :: 4.75 HB2 :: 4.12 HB3 :: 3.84 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 :: 112.19 Ave N Shift Values>> N :: 116.28(3.52) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.17 K 0.12 Q 0.08 M 0.04 C Shift Assignments>> CA :: 59.06 CB :: 29.68 CG :: 36.02 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>> HA :: 4.42 HB2 :: 2.10 HB3 :: 2.10 HG2 :: 2.46 HG3 :: 2.46 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 :: 125.39 Ave N Shift Values>> N :: 120.67(3.48) 1.H97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 H 0.44 C Shift Assignments>> C :: 177.81 CA :: 59.35 CB :: 30.13 CD2 :: 119.20 CE1 :: 139.00 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.38 HB2 :: 3.10 HB3 :: 2.98 HD2 :: 6.58 HE1 :: 7.75 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 :: 119.50 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.16 W 0.16 K 0.15 R 0.13 M 0.1 H 0.1 E 0.1 Q 0.04 P 0.01 C Shift Assignments>> C :: 178.54 CA :: 59.41 CB :: 31.95 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 :: 7.58 HA :: 4.40 HB2 :: 3.48 HB3 :: 3.28 HD2 :: 7.21 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.08 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.91 R 0.06 K 0.01 C Shift Assignments>> C :: 177.87 CA :: 58.24 CB :: 40.66 CG :: 27.97 CD1 :: 26.38 CD2 :: 25.96 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 :: 7.09 HA :: 2.58(S) HB2 :: 2.02 HB3 :: 1.16 HG :: 1.44 HD11 :: 0.97 HD12 :: 0.97 HD13 :: 0.97 HD21 :: 1.06 HD22 :: 1.06 HD23 :: 1.06 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 :: 122.16 Ave N Shift Values>> N :: 121.86(3.9) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.26 V 0.24 I 0.23 P 0.11 F 0.03 Y 0.03 S 0.02 W 0.02 C Shift Assignments>> C :: 177.13 CA :: 62.09 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.46 HA :: 3.96 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.72 Ave N Shift Values>> N :: 116.28(3.52) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.44 C Shift Assignments>> C :: 178.26 CA :: 57.80 CB :: 31.40 CG :: 24.20 CD :: 27.70 CE :: 41.91 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 :: 8.02 HA :: 3.98 HB2 :: 1.91 HB3 :: 1.85 HG2 :: 1.43 HG3 :: 1.34 HD2 :: 1.60 HD3 :: 1.60 HE2 :: 2.84 HE3 :: 2.84 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 :: 120.83 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 F 0.16 Y 0.14 HN Overlap>> 1.F109 1.F109 C Shift Assignments>> C :: 177.91 CA :: 63.09 CB :: 40.28 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 :: 7.85 HA :: 3.72 HB2 :: 3.18 HB3 :: 2.92 HD1 :: 6.73 HD2 :: 6.73 HE1 :: 6.71 HE2 :: 6.71 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 :: 120.11 Ave N Shift Values>> N :: 120.45(4.18) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.32 I 0.01 HN Overlap>> 1.S52 1.A113 1.W27 1.S52 1.A113 1.W27 C Shift Assignments>> C :: 179.56 CA :: 54.59 CB :: 18.99 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.53 HA :: 3.41 HB1 :: 1.55 HB2 :: 1.55 HB3 :: 1.55 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.62 Ave N Shift Values>> N :: 123.23(3.54) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.19 K 0.1 Q 0.06 M 0.04 C Shift Assignments>> C :: 179.56 CA :: 59.13 CB :: 29.73 CG :: 36.20 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 :: 8.05 HA :: 3.85 HB2 :: 1.90 HB3 :: 2.03 HG2 :: 2.32 HG3 :: 2.04 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 :: 119.91 Ave N Shift Values>> N :: 120.67(3.48) 1.K105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.76 L 0.08 K 0.07 A 0.06 C Shift Assignments>> C :: 175.51 CA :: 56.25 CB :: 29.80 CG :: 22.54 CD :: 26.89 CE :: 41.73 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 :: 7.11 HA :: 3.14 HB2 :: 1.74 HB3 :: 0.24(S) HG2 :: 0.61 HG3 :: -0.19(S) HD2 :: 0.78(S) HD3 :: 0.90 HE2 :: 2.38 HE3 :: 2.25(S) 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 :: 118.92 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 F 0.38 C Shift Assignments>> C :: 177.78 CA :: 61.77 CB :: 38.66 CD1 :: 132.69 CD2 :: 132.69 CE1 :: 130.60 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 :: 7.44 HA :: 3.30 HB2 :: 2.93 HB3 :: 2.47 HD1 :: 6.80 HD2 :: 6.80 HE1 :: 6.38 HE2 :: 6.38 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 :: 121.05 Ave N Shift Values>> N :: 120.45(4.18) 1.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.35 R 0.18 M 0.03 E 0.03 I 0.01 C Shift Assignments>> C :: 177.91 CA :: 58.45 CB :: 28.14 CG :: 33.24 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 :: 7.55 HA :: 4.01 HB2 :: 2.27 HB3 :: 2.06 HG2 :: 2.54 HG3 :: 2.47 HE21 :: 7.64 HE22 :: 6.96 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 :: 115.03 NE2 :: 111.67 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 K 0.23 Q 0.2 I 0.13 M 0.02 R 0.01 C Shift Assignments>> C :: 179.84 CA :: 59.03 CB :: 29.07 CG :: 35.31 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 :: 7.51 HA :: 3.72 HB2 :: 1.58 HB3 :: 1.33 HG2 :: 2.04 HG3 :: 1.61 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 :: 120.55 Ave N Shift Values>> N :: 120.67(3.48) 1.F109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.68 Y 0.31 HN Overlap>> 1.F102 1.F102 C Shift Assignments>> C :: 177.56 CA :: 57.77 CB :: 36.53 CD1 :: 130.85 CD2 :: 130.85 CE1 :: 130.06 CE2 :: 130.06 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 :: 7.92 HA :: 4.12 HB2 :: 2.30 HB3 :: 2.22 HD1 :: 5.93(S) HD2 :: 5.93(S) HE1 :: 6.23 HE2 :: 6.23 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 :: 120.05 Ave N Shift Values>> N :: 120.45(4.18) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.21 G 0.07 C Shift Assignments>> C :: 178.78 CA :: 60.09 CB :: 32.42 CG :: 24.70 CD :: 30.20 CE :: 42.71 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 :: 8.56 HA :: 3.72 HB2 :: 1.83 HB3 :: 1.83 HG2 :: 1.66 HG3 :: 1.44 HD2 :: 1.80 HD3 :: 1.80 HE2 :: 3.22 HE3 :: 3.22 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 :: 123.31 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 K 0.21 Q 0.16 I 0.12 M 0.01 R 0.01 C Shift Assignments>> C :: 178.87 CA :: 58.23 CB :: 28.90 CG :: 35.66 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 :: 7.80 HA :: 4.33 HB2 :: 2.08 HB3 :: 2.01 HG2 :: 2.37 HG3 :: 2.37 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 :: 118.86 Ave N Shift Values>> N :: 120.67(3.48) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.35 I 0.03 C Shift Assignments>> C :: 180.88 CA :: 55.10 CB :: 17.77 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.93 HA :: 4.14 HB1 :: 1.53 HB2 :: 1.53 HB3 :: 1.53 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.70 Ave N Shift Values>> N :: 123.23(3.54) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.46 I 0.02 HN Overlap>> 1.S52 1.S52 1.A103 1.A103 C Shift Assignments>> C :: 180.15 CA :: 54.50 CB :: 18.07 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.42 HA :: 4.40 HB1 :: 1.57 HB2 :: 1.57 HB3 :: 1.57 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.61 Ave N Shift Values>> N :: 123.23(3.54) 1.R114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 K 0.11 G 0.07 C Shift Assignments>> C :: 178.38 CA :: 59.44 CB :: 30.33 CG :: 27.34 CD :: 43.00 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 :: 8.18 HA :: 3.98 HB2 :: 2.23 HB3 :: 1.97 HD2 :: 3.20 HD3 :: 3.39 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 :: 120.89 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.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.06 G 0.01 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> C :: 178.78 CA :: 57.00 CB :: 42.00 CG :: 27.11 CD1 :: 25.04 CD2 :: 23.34 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 :: 8.23 HA :: 4.13 HB2 :: 1.82 HB3 :: 1.61 HG :: 1.74 HD11 :: 0.93 HD12 :: 0.93 HD13 :: 0.93 HD21 :: 0.90 HD22 :: 0.90 HD23 :: 0.90 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 :: 120.06 Ave N Shift Values>> N :: 121.86(3.9) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.28 C Shift Assignments>> C :: 179.15 CA :: 53.98 CB :: 18.71 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.97 HA :: 4.25 HB1 :: 1.57 HB2 :: 1.57 HB3 :: 1.57 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.50 Ave N Shift Values>> N :: 123.23(3.54) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.22 G 0.01 C Shift Assignments>> C :: 177.78 CA :: 57.21 CB :: 32.75 CG :: 24.79 CD :: 29.09 CE :: 42.20 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 :: 7.83 HA :: 4.30 HB2 :: 2.04 HB3 :: 1.93 HG2 :: 1.55 HG3 :: 1.55 HD2 :: 1.76 HD3 :: 1.76 HE2 :: 3.06 HE3 :: 3.06 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 :: 118.58 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 M 0.1 K 0.09 I 0.08 Q 0.06 C Shift Assignments>> C :: 177.12 CA :: 57.52 CB :: 30.12 CG :: 36.45 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 :: 8.16 HA :: 4.23 HB2 :: 2.15 HB3 :: 2.06 HG2 :: 2.43 HG3 :: 2.31 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 :: 120.28 Ave N Shift Values>> N :: 120.67(3.48) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 176.62 CA :: 56.56 CB :: 32.95 CG :: 24.80 CD :: 29.20 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 :: 8.05 HA :: 4.38 HB2 :: 1.85 HB3 :: 1.95 HG2 :: 1.53 HG3 :: 1.53 HD2 :: 1.72 HD3 :: 1.72 HE2 :: 3.04 HE3 :: 3.04 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.19 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.71 CA :: 58.52 CB :: 64.00 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.17 HA :: 4.48 HB2 :: 3.95 HB3 :: 3.95 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 :: 116.92 Ave N Shift Values>> N :: 116.28(3.52) 1.Q121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 E 0.22 M 0.21 K 0.19 I 0.01 C Shift Assignments>> C :: 180.56 CA :: 57.53 CB :: 30.41 CG :: 34.34 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 :: 7.96 HA :: 4.21 HB2 :: 2.16 HB3 :: 1.97 HG2 :: 2.35 HG3 :: 2.35 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 :: 126.75 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) ########################################################################### Overall Results: #Consistent: 111 #Clerical: 0 #Suspicious: 10 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 121 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 120 #Suspicious: 1 C Shift Results: #Consistent: 524 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 773 #Duplicate: 0 #Unknown: 0 #Suspicious: 21 #Anomalous: 0 N Shift Results: #Consistent: 127 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I19 HD11 = -0.45(S), Expected = 0.68, Std = 0.2900, ChiSquare = 9.7572e-05 1.I19 HD12 = -0.45(S), Expected = 0.68, Std = 0.2900, ChiSquare = 9.7572e-05 1.I19 HD13 = -0.45(S), Expected = 0.68, Std = 0.2900, ChiSquare = 9.7572e-05 1.Y39 HE1 = 5.92(S), Expected = 6.70, Std = 0.2300, ChiSquare = 6.9561e-04 1.Y39 HE2 = 5.92(S), Expected = 6.71, Std = 0.2300, ChiSquare = 5.9303e-04 1.Y41 HD1 = 5.94(S), Expected = 6.93, Std = 0.3000, ChiSquare = 9.6685e-04 1.Y41 HD2 = 5.94(S), Expected = 6.93, Std = 0.3000, ChiSquare = 9.6685e-04 1.F77 HE1 = 6.02(S), Expected = 7.08, Std = 0.3100, ChiSquare = 6.2770e-04 1.F77 HE2 = 6.02(S), Expected = 7.08, Std = 0.3200, ChiSquare = 9.2466e-04 1.F77 SRO Rule Break>> HE1 > HA : 0.997334754797441 1.F77 SRO Rule Break>> HE2 > HA : 0.996867167919799 1.Q79 CB = 35.56(S), Expected = 29.19, Std = 1.8200, ChiSquare = 4.6526e-04 1.Q79 HA = 5.88(S), Expected = 4.27, Std = 0.4400, ChiSquare = 2.5311e-04 1.T87 HG21 = 0.33(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.2873e-04 1.T87 HG22 = 0.33(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.2873e-04 1.T87 HG23 = 0.33(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.2873e-04 1.L91 HB3 = 0.24(S), Expected = 1.52, Std = 0.3600, ChiSquare = 3.7718e-04 1.L99 HA = 2.58(S), Expected = 4.32, Std = 0.4700, ChiSquare = 2.1380e-04 1.K105 HB3 = 0.24(S), Expected = 1.74, Std = 0.2700, ChiSquare = 2.7673e-08 1.K105 HG3 = -0.19(S), Expected = 1.35, Std = 0.2800, ChiSquare = 3.7979e-08 1.K105 HD2 = 0.78(S), Expected = 1.61, Std = 0.2200, ChiSquare = 1.6147e-04 1.K105 HE3 = 2.25(S), Expected = 2.91, Std = 0.2000, ChiSquare = 9.6685e-04 1.F109 HD1 = 5.93(S), Expected = 7.06, Std = 0.3100, ChiSquare = 2.6722e-04 1.F109 HD2 = 5.93(S), Expected = 7.06, Std = 0.3100, ChiSquare = 2.6722e-04