Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.31 K 0.21 Q 0.19 H 0.11 R 0.11 E 0.03 C Shift Assignments>> C :: 170.115(D) CA :: 54.395(D) CB :: 32.985(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) 1.Q2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.23 R 0.21 M 0.16 Q 0.15 E 0.12 K 0.09 C Shift Assignments>> C :: 176.025(D) CA :: 54.405(D) CB :: 30.705(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.138(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 :: 123.249(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.22 K 0.21 I 0.11 L 0.07 R 0.05 D 0.02 C Shift Assignments>> C :: 172.325(D) CA :: 59.635(D) CB :: 41.675(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 :: 8.228(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.989(D) Ave N Shift Values>> N :: 121.46(4.28) 1.F4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 N 0.22 F 0.16 Y 0.15 L 0.13 I 0.01 C Shift Assignments>> C :: 175.715(D) CA :: 54.925(D) CB :: 39.755 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 :: 8.998(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 :: 118.659(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.33 K 0.14 Q 0.13 M 0.1 E 0.09 I 0.07 Y 0.03 R 0.02 H 0.02 F 0.01 C Shift Assignments>> C :: 174.715(D) CA :: 60.285(D) CB :: 34.415(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.318(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 :: 119.899(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.31 K 0.21 Q 0.2 H 0.11 R 0.11 E 0.03 C Shift Assignments>> C :: 176.905(D) CA :: 54.435(D) CB :: 33.015 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 :: 8.858(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 :: 128.529(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.585 CA :: 60.755(D) CB :: 69.825 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 :: 9.348(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 :: 118.409(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 L 0.19 F 0.17 Y 0.12 R 0.1 D 0.09 I 0.02 C Shift Assignments>> C :: 179.285(D) CA :: 57.385(D) CB :: 41.935(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 :: 8.928 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 :: 126.589 Ave N Shift Values>> N :: 121.86(3.9) 1.T9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.735(D) CA :: 61.235(D) CB :: 68.775(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 :: 7.828(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 :: 106.649(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 173.775(D) CA :: 45.405(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.918(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.429(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 Q 0.24 K 0.23 R 0.09 H 0.09 E 0.03 V 0.01 C Shift Assignments>> C :: 175.875(D) CA :: 55.805(D) CB :: 33.285(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 :: 7.438(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 :: 122.879(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.745(D) CA :: 62.585(D) CB :: 69.615 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 :: 9.268(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.349(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.34 I 0.29 F 0.29 E 0.02 L 0.01 D 0.01 C Shift Assignments>> C :: 174.675(D) CA :: 59.395(D) CB :: 38.605 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 :: 9.538(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 :: 126.239(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.535(D) CA :: 61.235(D) CB :: 69.545 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 :: 9.128(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 :: 119.779(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.29 K 0.09 N 0.08 R 0.08 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 174.825(D) CA :: 52.285(D) CB :: 42.225 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 :: 9.058(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 :: 124.679(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.23 Q 0.2 R 0.17 K 0.15 E 0.11 M 0.09 L 0.01 C Shift Assignments>> C :: 175.315(D) CA :: 53.745(D) CB :: 29.555(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 :: 8.278(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 :: 123.039(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 M 0.18 Q 0.17 R 0.11 V 0.1 H 0.09 E 0.06 C Shift Assignments>> C :: 173.825(D) CA :: 58.355(D) CB :: 32.975 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 :: 9.078(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 :: 117.909(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.26 D 0.12 L 0.06 M 0.04 H 0.03 R 0.02 Q 0.02 K 0.01 P 0.01 F 0.01 Y 0.01 C Shift Assignments>> CA :: 52.455(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 :: 8.428(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 :: 118.459(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.74 P 0.23 I 0.01 C Shift Assignments>> C :: 175.435(D) CA :: 65.265(D) CB :: 33.405(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.S20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> S 0.99 C Shift Assignments>> C :: 174.865(D) CA :: 57.505(D) CB :: 63.375(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.388(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 :: 104.219(S) Ave N Shift Values>> N :: 116.28(3.52) 1.D21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 L 0.22 F 0.16 Y 0.12 K 0.11 N 0.07 I 0.01 R 0.01 C Shift Assignments>> C :: 176.185(D) CA :: 55.495(D) CB :: 40.925 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 :: 8.328(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 :: 125.279(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.865(D) CA :: 59.825(D) CB :: 69.855 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 :: 8.368(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.609(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.57 F 0.21 Y 0.19 C Shift Assignments>> C :: 176.905 CA :: 62.145(D) CB :: 40.125 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 :: 8.828(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 :: 121.579(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 E 0.19 Q 0.18 R 0.18 K 0.13 M 0.07 I 0.01 C Shift Assignments>> C :: 176.735 CA :: 56.825(D) CB :: 29.885 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 :: 8.858 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 :: 125.339 Ave N Shift Values>> N :: 120.67(3.48) 1.N25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.27 D 0.13 N 0.12 L 0.07 I 0.05 E 0.01 M 0.01 C Shift Assignments>> C :: 178.425(D) CA :: 56.365(D) CB :: 38.965(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 :: 8.248(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 :: 122.729(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.28 T 0.23 V 0.21 P 0.07 F 0.04 Y 0.04 S 0.04 E 0.01 C Shift Assignments>> C :: 177.685(D) CA :: 61.645(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 :: 8.388(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 :: 123.179(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.17 Y 0.14 F 0.14 E 0.08 K 0.06 R 0.06 I 0.06 H 0.05 Q 0.05 V 0.04 T 0.03 M 0.03 L 0.02 C Shift Assignments>> C :: 177.025 CA :: 58.955(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 :: 8.848(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 :: 120.069(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.1 C Shift Assignments>> C :: 180.225(D) CA :: 52.845(D) CB :: 19.365 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.068(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.449(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 K 0.21 M 0.13 Q 0.12 R 0.1 H 0.08 E 0.06 P 0.01 C Shift Assignments>> C :: 177.275 CA :: 59.525(D) CB :: 32.895 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 :: 8.018(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 :: 121.239(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 T 0.21 V 0.2 S 0.06 F 0.06 Y 0.06 P 0.05 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 177.795(D) CA :: 61.295 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 :: 8.588 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 :: 124.339 Ave N Shift Values>> N :: 121.46(4.28) 1.Q31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.21 H 0.19 K 0.19 E 0.15 R 0.15 M 0.05 L 0.01 I 0.01 C Shift Assignments>> C :: 179.225(D) CA :: 55.835 CB :: 29.265 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 :: 8.848(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 :: 124.019(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.21 L 0.17 D 0.14 K 0.14 I 0.03 N 0.02 R 0.01 C Shift Assignments>> C :: 176.625 CA :: 57.115(D) CB :: 40.895 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 :: 8.438(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 :: 120.989(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 K 0.24 Q 0.17 R 0.12 H 0.11 E 0.06 V 0.02 C Shift Assignments>> C :: 177.785(D) CA :: 56.465 CB :: 32.825 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 :: 8.668 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 :: 122.489 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.2 E 0.18 Q 0.18 R 0.18 K 0.13 M 0.07 I 0.01 C Shift Assignments>> C :: 177.625(D) CA :: 56.505 CB :: 29.925 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 :: 8.738(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 :: 115.189(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 173.875 CA :: 45.885(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.768(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.689(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.15 Y 0.14 F 0.14 E 0.09 K 0.07 R 0.07 H 0.06 Q 0.05 M 0.04 I 0.04 V 0.02 L 0.02 T 0.02 C Shift Assignments>> CA :: 58.575 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 :: 8.428 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 :: 122.819 Ave N Shift Values>> N :: 121.46(4.28) 1.P37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.5 V 0.47 I 0.01 C Shift Assignments>> C :: 178.135(D) CA :: 63.835 CB :: 32.205 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.D39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 L 0.13 M 0.1 H 0.08 N 0.08 Q 0.07 R 0.07 A 0.06 K 0.06 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 177.055 CA :: 54.885 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 :: 8.918(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 :: 115.639(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.12 Q 0.11 H 0.11 K 0.11 M 0.09 E 0.09 L 0.07 F 0.07 Y 0.07 S 0.04 D 0.04 N 0.01 C Shift Assignments>> C :: 176.485(D) CA :: 56.695(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 :: 8.038(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 :: 117.279(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.12 Q 0.11 M 0.11 R 0.11 K 0.1 L 0.09 E 0.08 F 0.06 Y 0.06 D 0.05 S 0.03 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.415(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 :: 7.888(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 :: 120.869(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R42 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.235 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) 1.F45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.12 K 0.11 R 0.1 H 0.09 Q 0.09 F 0.09 Y 0.09 M 0.08 S 0.05 L 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 174.795(D) CA :: 57.205 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 :: 8.748 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 :: 122.899 Ave N Shift Values>> N :: 120.45(4.18) 1.A46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 177.595(D) CA :: 52.425(D) CB :: 19.345 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.178(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 135.359(S) Ave N Shift Values>> N :: 123.23(3.54) 1.G47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 173.725(D) CA :: 45.505(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.618(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.959(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.33 Q 0.26 K 0.18 E 0.07 H 0.04 R 0.03 N 0.02 Y 0.01 C Shift Assignments>> C :: 174.635 CA :: 54.305(D) CB :: 34.465 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 :: 8.068(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 :: 122.929(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.13 L 0.12 H 0.11 Q 0.1 R 0.1 K 0.08 D 0.07 E 0.07 F 0.05 Y 0.05 N 0.02 S 0.02 A 0.02 C Shift Assignments>> C :: 175.585(D) CA :: 55.945 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 :: 8.958 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 :: 123.199 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.27 K 0.14 N 0.08 F 0.07 R 0.04 Y 0.04 C Shift Assignments>> C :: 177.895 CA :: 53.705(D) CB :: 41.745 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 :: 8.518(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 :: 125.589(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.12 H 0.12 R 0.11 K 0.1 M 0.1 E 0.08 L 0.08 F 0.06 Y 0.06 D 0.04 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 175.725(D) CA :: 56.575(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 :: 8.648 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 :: 123.419 Ave N Shift Values>> N :: 120.67(3.48) 1.D52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 L 0.21 F 0.16 Y 0.13 K 0.09 N 0.08 I 0.01 C Shift Assignments>> C :: 177.425 CA :: 55.425(D) CB :: 40.765 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 :: 8.678(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.749(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 174.985(D) CA :: 45.325(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.668 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.219 Ave N Shift Values>> N :: 109.67(3.87) 1.R54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.18 N 0.14 L 0.11 A 0.11 M 0.09 H 0.07 Q 0.06 R 0.06 K 0.04 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.215(D) CA :: 54.335(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 :: 7.738(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 :: 121.019(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.T55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.16 Y 0.13 F 0.13 I 0.09 E 0.07 V 0.06 T 0.06 K 0.05 R 0.05 H 0.04 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 176.465(D) CA :: 59.425(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.018(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 :: 109.079(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.14 Y 0.14 F 0.14 E 0.09 K 0.08 R 0.07 H 0.06 Q 0.06 M 0.04 I 0.03 L 0.02 V 0.02 T 0.02 D 0.01 C Shift Assignments>> C :: 180.955(D) CA :: 58.455(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 :: 8.318(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 :: 118.289(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 T 0.17 V 0.16 S 0.09 F 0.08 Y 0.08 E 0.02 P 0.02 R 0.02 K 0.02 H 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 178.675 CA :: 60.765(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.938(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.529(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.12 R 0.11 E 0.11 Q 0.1 H 0.1 F 0.08 M 0.08 Y 0.08 L 0.06 S 0.05 D 0.03 I 0.01 C Shift Assignments>> C :: 177.275(D) CA :: 57.055 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 :: 8.118 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 :: 125.279 Ave N Shift Values>> N :: 120.65(3.86) 1.Y59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.14 Y 0.14 S 0.11 E 0.1 K 0.08 R 0.08 H 0.07 Q 0.07 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 174.815(D) CA :: 58.095(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 :: 7.418(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.899(D) Ave N Shift Values>> N :: 120.52(4.2) 1.N60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.19 D 0.17 A 0.16 L 0.1 M 0.07 H 0.06 R 0.05 Q 0.05 K 0.04 F 0.02 E 0.02 Y 0.02 C Shift Assignments>> CA :: 53.965(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 :: 8.258(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 :: 116.969(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> T 0.25 V 0.24 I 0.2 P 0.13 S 0.08 F 0.02 Y 0.02 C Shift Assignments>> C :: 174.355 CA :: 62.305 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) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 H 0.19 R 0.18 K 0.15 Q 0.07 E 0.06 C Shift Assignments>> C :: 175.295 CA :: 53.545 CB :: 31.835 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 :: 8.078 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 :: 126.059 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 M 0.2 R 0.15 H 0.12 Q 0.12 E 0.08 V 0.05 C Shift Assignments>> C :: 176.785 CA :: 57.495 CB :: 32.495 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 :: 8.878 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 :: 120.929 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.12 Y 0.12 E 0.11 K 0.09 R 0.09 S 0.09 H 0.08 Q 0.08 M 0.06 L 0.04 I 0.02 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 175.335 CA :: 57.795 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 :: 9.678 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 :: 115.739 Ave N Shift Values>> N :: 120.67(3.48) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 172.115 CA :: 60.925 CB :: 64.995 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.988 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 :: 116.799 Ave N Shift Values>> N :: 116.28(3.52) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.26 V 0.24 I 0.22 P 0.11 S 0.07 F 0.03 Y 0.02 C Shift Assignments>> C :: 173.795 CA :: 62.155 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 :: 9.218 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 :: 117.569 Ave N Shift Values>> N :: 115.42(4.75) 1.L67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.28 K 0.15 F 0.07 R 0.06 N 0.06 Y 0.04 C Shift Assignments>> C :: 175.745(D) CA :: 53.905(D) CB :: 41.915 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 :: 9.558 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 :: 128.739 Ave N Shift Values>> N :: 121.86(3.9) 1.H68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.14 D 0.14 M 0.11 H 0.09 Q 0.08 R 0.08 K 0.07 N 0.06 A 0.05 E 0.05 F 0.04 Y 0.03 S 0.01 C Shift Assignments>> C :: 173.745(D) CA :: 55.145(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.198(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 :: 116.689(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.18 N 0.15 A 0.12 L 0.11 M 0.08 H 0.07 Q 0.06 R 0.05 K 0.04 E 0.03 F 0.02 Y 0.02 C Shift Assignments>> C :: 176.525(D) CA :: 54.235(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 :: 8.408(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 :: 124.369(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.16 Y 0.13 F 0.13 I 0.1 V 0.07 T 0.07 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.535(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 :: 8.888(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 :: 117.569(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.14 M 0.11 D 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 E 0.05 N 0.05 F 0.04 Y 0.04 A 0.04 S 0.01 C Shift Assignments>> C :: 175.275 CA :: 55.405 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 :: 8.758 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 :: 123.919 Ave N Shift Values>> N :: 121.86(3.9) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 H 0.21 E 0.17 Q 0.15 M 0.13 K 0.1 C Shift Assignments>> C :: 175.895 CA :: 56.115 CB :: 30.705 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 :: 8.478 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 :: 123.859 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.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.24 K 0.18 R 0.08 F 0.08 Y 0.05 N 0.03 C Shift Assignments>> C :: 177.515 CA :: 54.745 CB :: 41.985 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 :: 8.798 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 :: 126.139 Ave N Shift Values>> N :: 121.86(3.9) 1.R74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 R 0.2 E 0.19 Q 0.17 M 0.1 K 0.09 I 0.01 V 0.01 C Shift Assignments>> C :: 177.245(D) CA :: 56.555(D) CB :: 30.355(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 :: 8.928 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 :: 123.899 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.G75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 173.965 CA :: 45.355 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.848(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.369(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> CA :: 46.145 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.338 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.919 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 15 #Clerical: 59 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 72 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 76 #Suspicious: 0 C Shift Results: #Consistent: 73 #Duplicate: 107 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 21 #Duplicate: 47 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 21 #Duplicate: 45 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.M1 C = 170.115(D), Expected = 176.18, Std = 2.0900, ChiSquare = 3.7089e-03 1.M1 CA = 54.395(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.4186e-01 1.M1 CB = 32.985(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.9822e-01 1.Q2 C = 176.025(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.8380e-01 1.Q2 CA = 54.405(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.1169e-01 1.Q2 CB = 30.705(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.0517e-01 1.Q2 H = 9.138(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.1972e-01 1.Q2 N = 123.249(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.5079e-01 1.I3 C = 172.325(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.6367e-02 1.I3 CA = 59.635(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.6116e-01 1.I3 CB = 41.675(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.3170e-01 1.I3 H = 8.228(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.3904e-01 1.I3 N = 114.989(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.3056e-01 1.F4 C = 175.715(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.8215e-01 1.F4 CA = 54.925(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.1959e-01 1.F4 H = 8.998(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.7556e-01 1.F4 N = 118.659(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.6831e-01 1.V5 C = 174.715(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.3385e-01 1.V5 CA = 60.285(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.4072e-01 1.V5 CB = 34.415(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.4653e-01 1.V5 H = 9.318(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.2495e-01 1.V5 N = 119.899(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.8459e-01 1.K6 C = 176.905(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.9459e-01 1.K6 CA = 54.435(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.5296e-01 1.K6 H = 8.858(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.6557e-01 1.K6 N = 128.529(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.7276e-02 1.T7 CA = 60.755(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.7164e-01 1.T7 H = 9.348(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.3922e-02 1.T7 N = 118.409(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.2918e-01 1.L8 C = 179.285(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.4642e-01 1.L8 CA = 57.385(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.0731e-01 1.L8 CB = 41.935(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.4190e-01 1.T9 C = 175.735(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.9715e-01 1.T9 CA = 61.235(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.0372e-01 1.T9 CB = 68.775(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.5795e-01 1.T9 H = 7.828(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.0636e-01 1.T9 N = 106.649(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.4816e-02 1.G10 C = 173.775(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5970e-01 1.G10 CA = 45.405(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6726e-01 1.G10 H = 7.918(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.2618e-01 1.G10 N = 110.429(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4451e-01 1.K11 C = 175.875(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.0209e-01 1.K11 CA = 55.805(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.0275e-01 1.K11 CB = 33.285(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.8094e-01 1.K11 H = 7.438(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.1008e-01 1.K11 N = 122.879(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.2757e-01 1.T12 C = 174.745(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.0727e-01 1.T12 CA = 62.585(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.8793e-01 1.T12 H = 9.268(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.7304e-02 1.T12 N = 122.349(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.4464e-01 1.I13 C = 174.675(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.4055e-01 1.I13 CA = 59.395(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.0853e-01 1.I13 H = 9.538(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.4314e-02 1.I13 N = 126.239(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.6417e-01 1.T14 C = 173.535(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.6798e-01 1.T14 CA = 61.235(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.0372e-01 1.T14 H = 9.128(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.5207e-01 1.T14 N = 119.779(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.5878e-01 1.L15 C = 174.825(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.7420e-01 1.L15 CA = 52.285(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.1741e-01 1.L15 H = 9.058(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.0272e-01 1.L15 N = 124.679(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.6979e-01 1.E16 C = 175.315(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.2520e-01 1.E16 CA = 53.745(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.7169e-02 1.E16 CB = 29.555(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.9137e-01 1.E16 H = 8.278(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.2977e-01 1.E16 N = 123.039(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.9603e-01 1.V17 C = 173.825(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.4479e-01 1.V17 CA = 58.355(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4823e-01 1.V17 H = 9.078(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.3955e-01 1.V17 N = 117.909(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.7667e-01 1.E18 CA = 52.455(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.9925e-02 1.E18 H = 8.428(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.6808e-01 1.E18 N = 118.459(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.2520e-01 1.P19 C = 175.435(D), Expected = 176.75, Std = 1.5100, ChiSquare = 3.8383e-01 1.P19 CA = 65.265(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.0301e-01 1.P19 CB = 33.405(D), Expected = 31.85, Std = 1.1800, ChiSquare = 1.8757e-01 1.S20 C = 174.865(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.8673e-01 1.S20 CA = 57.505(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.5723e-01 1.S20 CB = 63.375(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.7399e-01 1.S20 H = 7.388(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.3057e-01 1.S20 N = 104.219(S), Expected = 116.28, Std = 3.5200, ChiSquare = 6.1159e-04 1.D21 C = 176.185(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.0222e-01 1.D21 CA = 55.495(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.9170e-01 1.D21 H = 8.328(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7524e-01 1.D21 N = 125.279(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.3044e-01 1.T22 C = 173.865(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.0133e-01 1.T22 CA = 59.825(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.5512e-01 1.T22 H = 8.368(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.3644e-01 1.T22 N = 110.609(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.1114e-01 1.I23 CA = 62.145(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.4177e-01 1.I23 H = 8.828(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.2031e-01 1.I23 N = 121.579(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.7782e-01 1.E24 CA = 56.825(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.1278e-01 1.N25 C = 178.425(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.7973e-02 1.N25 CA = 56.365(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.3293e-01 1.N25 CB = 38.965(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.7074e-01 1.N25 H = 8.248(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.8390e-01 1.N25 N = 122.729(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.4584e-01 1.V26 C = 177.685(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.7711e-01 1.V26 CA = 61.645(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.6765e-01 1.V26 H = 8.388(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8371e-01 1.V26 N = 123.179(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.5335e-01 1.K27 CA = 58.955(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.6210e-01 1.K27 H = 8.848(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.7279e-01 1.K27 N = 120.069(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.9470e-01 1.A28 C = 180.225(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.4334e-01 1.A28 CA = 52.845(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.8156e-01 1.A28 H = 8.068(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.2587e-01 1.A28 N = 124.449(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.3058e-01 1.K29 CA = 59.525(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.4182e-01 1.K29 H = 8.018(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.7437e-01 1.K29 N = 121.239(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.6002e-01 1.I30 C = 177.795(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.1105e-01 1.Q31 C = 179.225(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.3495e-01 1.Q31 H = 8.848(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.8714e-01 1.Q31 N = 124.019(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.5140e-01 1.D32 CA = 57.115(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.3225e-01 1.D32 H = 8.438(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.2533e-01 1.D32 N = 120.989(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.3002e-01 1.K33 C = 177.785(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.6698e-01 1.E34 C = 177.625(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.9862e-01 1.E34 H = 8.738(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.8924e-01 1.E34 N = 115.189(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.1526e-01 1.G35 CA = 45.885(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.8971e-01 1.G35 H = 8.768(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.0041e-01 1.G35 N = 110.689(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.9231e-01 1.P38 C = 178.135(D), Expected = 176.75, Std = 1.5100, ChiSquare = 3.5903e-01 1.D39 H = 8.918(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.9451e-01 1.D39 N = 115.639(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.9422e-01 1.Q40 C = 176.485(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.2849e-01 1.Q40 CA = 56.695(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.5342e-01 1.Q40 H = 8.038(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.5772e-01 1.Q40 N = 117.279(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.6828e-01 1.Q41 CA = 56.415(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.4226e-01 1.Q41 H = 7.888(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.7363e-01 1.Q41 N = 120.869(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.8566e-01 1.F45 C = 174.795(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.5347e-01 1.A46 C = 177.595(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.4573e-01 1.A46 CA = 52.425(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.1802e-01 1.A46 H = 9.178(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.0310e-01 1.A46 N = 135.359(S), Expected = 123.23, Std = 3.5400, ChiSquare = 6.1193e-04 1.G47 C = 173.725(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.3852e-01 1.G47 CA = 45.505(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.0791e-01 1.G47 H = 8.618(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.5771e-01 1.G47 N = 103.959(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.4002e-01 1.K48 CA = 54.305(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.2926e-01 1.K48 H = 8.068(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.3887e-01 1.K48 N = 122.929(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.1820e-01 1.Q49 C = 175.585(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.1005e-01 1.L50 CA = 53.705(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.6862e-01 1.L50 H = 8.518(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5771e-01 1.L50 N = 125.589(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.3899e-01 1.E51 C = 175.725(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.5708e-01 1.E51 CA = 56.575(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.2150e-01 1.D52 CA = 55.425(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.1730e-01 1.D52 H = 8.678(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.2577e-01 1.D52 N = 121.749(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.7586e-01 1.G53 C = 174.985(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.5312e-01 1.G53 CA = 45.325(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8512e-01 1.R54 C = 175.215(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.5608e-01 1.R54 CA = 54.335(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.9183e-01 1.R54 H = 7.738(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.1054e-01 1.R54 N = 121.019(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.5255e-01 1.T55 C = 176.465(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.7406e-01 1.T55 CA = 59.425(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.8052e-01 1.T55 H = 9.018(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.0954e-01 1.T55 N = 109.079(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.8189e-01 1.L56 C = 180.955(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.5228e-02 1.L56 CA = 58.455(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.8319e-01 1.L56 H = 8.318(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.9231e-01 1.L56 N = 118.289(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.5986e-01 1.S57 CA = 60.765(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.2319e-01 1.S57 H = 8.938(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.6474e-01 1.S57 N = 114.529(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.1888e-01 1.D58 C = 177.275(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.1707e-01 1.Y59 C = 174.815(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.6878e-01 1.Y59 CA = 58.095(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.8887e-01 1.Y59 H = 7.418(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.1660e-01 1.Y59 N = 116.899(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.8861e-01 1.N60 CA = 53.965(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.2115e-01 1.N60 H = 8.258(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.9644e-01 1.N60 N = 116.969(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.2654e-01 1.L67 C = 175.745(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.2949e-01 1.L67 CA = 53.905(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.2073e-01 1.H68 C = 173.745(D), Expected = 175.25, Std = 1.9700, ChiSquare = 4.4489e-01 1.H68 CA = 55.145(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.5168e-01 1.H68 H = 9.198(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.5889e-01 1.H68 N = 116.689(D), Expected = 119.69, Std = 4.0000, ChiSquare = 4.5310e-01 1.L69 C = 176.525(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.1433e-01 1.L69 CA = 54.235(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.1554e-01 1.L69 H = 8.408(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.8420e-01 1.L69 N = 124.369(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.2001e-01 1.V70 CA = 59.535(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.0150e-01 1.V70 H = 8.888(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.7211e-01 1.V70 N = 117.569(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.3154e-01 1.R74 C = 177.245(D), Expected = 176.41, Std = 2.0300, ChiSquare = 6.8083e-01 1.R74 CA = 56.555(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.2585e-01 1.R74 CB = 30.355(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.5047e-01 1.G75 H = 8.848(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.2550e-01 1.G75 N = 112.369(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.8554e-01