Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.21 C 0.19 K 0.16 H 0.1 R 0.09 Q 0.09 W 0.07 E 0.04 C Shift Assignments>> C :: 172.88 CA :: 54.42 CB :: 32.50 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) 1.D2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 L 0.25 K 0.15 C 0.1 R 0.08 F 0.06 N 0.06 C Shift Assignments>> C :: 176.98 CA :: 53.98(D) CB :: 41.90(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.82(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.55(D) Ave N Shift Values>> N :: 120.73(4.2) 1.S3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.35(D) CA :: 60.42(D) CB :: 62.42(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.82(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.83(D) Ave N Shift Values>> N :: 116.3(3.95) 1.N4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 M 0.19 E 0.15 K 0.11 Q 0.1 N 0.06 H 0.01 W 0.01 F 0.01 C Shift Assignments>> C :: 179.40 CA :: 54.49 CB :: 35.25 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.18(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.28(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.33 T 0.2 S 0.18 I 0.14 P 0.11 C 0.01 C Shift Assignments>> C :: 178.43(D) CA :: 66.22 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.06 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.18 Ave N Shift Values>> N :: 115.7(5.05) 1.V6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.72 I 0.11 P 0.1 C 0.04 C Shift Assignments>> C :: 178.52(D) CA :: 67.68(D) CB :: 31.21 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.50(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.30(D) Ave N Shift Values>> N :: 121.02(4.96) 1.S7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.24 T 0.19 V 0.18 F 0.06 C 0.06 P 0.05 S 0.05 W 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 178.20(D) CA :: 61.31(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.81(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.34(D) Ave N Shift Values>> N :: 116.3(3.95) 1.S8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.28 V 0.24 T 0.21 I 0.17 C 0.02 F 0.02 W 0.01 C Shift Assignments>> C :: 175.63(D) CA :: 63.19(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.20(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.01(D) Ave N Shift Values>> N :: 116.3(3.95) 1.F9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.49 F 0.26 C 0.21 E 0.01 C Shift Assignments>> C :: 178.30 CA :: 61.18(D) CB :: 39.07 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.35(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.24(D) Ave N Shift Values>> N :: 120.69(4.18) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.2 R 0.18 C 0.16 K 0.14 L 0.09 Q 0.05 W 0.05 H 0.03 E 0.02 P 0.01 C Shift Assignments>> C :: 179.92 CA :: 59.19 CB :: 26.10 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.65 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.15 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 I 0.14 P 0.09 C 0.04 C Shift Assignments>> C :: 178.47 CA :: 67.85 CB :: 30.95 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.75 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.46 Ave N Shift Values>> N :: 121.02(4.96) 1.D12 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 C 0.27 I 0.15 D 0.06 L 0.06 E 0.02 K 0.02 N 0.01 C Shift Assignments>> C :: 181.85(A) CA :: 58.10 CB :: 39.47 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.70 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.55 Ave N Shift Values>> N :: 120.73(4.2) 1.C13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.48 I 0.43 C 0.05 V 0.01 C Shift Assignments>> C :: 179.24 CA :: 64.61 CB :: 26.12 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.65 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.73 Ave N Shift Values>> N :: 119.95(4.79) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.21 F 0.16 E 0.02 HN Overlap>> 1.A57 1.A57 C Shift Assignments>> C :: 177.95 CA :: 61.89 CB :: 38.17 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.39 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.36 Ave N Shift Values>> N :: 120.69(4.18) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 C 0.3 I 0.16 E 0.06 D 0.05 L 0.03 N 0.02 C Shift Assignments>> C :: 180.11 CA :: 57.92 CB :: 38.87 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.49 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.61 Ave N Shift Values>> N :: 121.98(4.07) 1.W16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 P 0.25 C 0.09 V 0.08 W 0.04 R 0.01 E 0.01 C Shift Assignments>> C :: 177.84 CA :: 63.60 CB :: 28.79 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.37 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.53 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.H17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 R 0.15 C 0.14 W 0.09 K 0.07 Q 0.07 E 0.05 H 0.05 L 0.05 P 0.03 C Shift Assignments>> C :: 178.07 CA :: 59.80 CB :: 27.23 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.82 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.51 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 P 0.22 I 0.15 C 0.04 C Shift Assignments>> C :: 178.53 CA :: 66.70 CB :: 30.93 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.93 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.28 Ave N Shift Values>> N :: 121.02(4.96) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 C 0.15 E 0.12 R 0.11 I 0.09 H 0.08 V 0.07 Q 0.06 K 0.05 M 0.03 P 0.01 C Shift Assignments>> C :: 178.56 CA :: 59.79 CB :: 30.34 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.94 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.16 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 R 0.14 C 0.13 H 0.12 Q 0.1 M 0.06 K 0.05 I 0.03 V 0.02 HN Overlap>> 1.N53 1.N53 C Shift Assignments>> C :: 179.08 CA :: 58.13 CB :: 30.40 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.34 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.54 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 W 0.13 Q 0.13 E 0.12 C 0.12 H 0.1 R 0.1 I 0.07 L 0.02 M 0.02 C Shift Assignments>> C :: 179.50 CA :: 58.21 CB :: 28.71 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.54 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.15 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 P 0.21 I 0.2 C 0.05 C Shift Assignments>> C :: 178.96 CA :: 66.69 CB :: 30.60 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.79 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.64 Ave N Shift Values>> N :: 121.02(4.96) 1.V23 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.43 P 0.31 I 0.17 C 0.05 W 0.01 C Shift Assignments>> C :: 182.22(A) CA :: 65.81 CB :: 30.70 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.76 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.81 Ave N Shift Values>> N :: 121.02(4.96) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 C 0.27 D 0.13 N 0.08 I 0.07 L 0.07 E 0.04 K 0.01 C Shift Assignments>> C :: 178.97 CA :: 56.75 CB :: 39.15 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.89 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.00 Ave N Shift Values>> N :: 120.73(4.2) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 R 0.19 Q 0.12 C 0.11 K 0.1 H 0.09 W 0.06 E 0.04 I 0.01 HN Overlap>> 1.E71 1.E71 C Shift Assignments>> C :: 175.19 CA :: 55.43 CB :: 27.19 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.68 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.65 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.31 L 0.27 C 0.12 R 0.12 I 0.03 Q 0.03 H 0.02 M 0.02 W 0.01 C Shift Assignments>> C :: 176.89 CA :: 56.85 CB :: 25.03 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.13 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 113.15 Ave N Shift Values>> N :: 120.68(3.68) 1.L27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.2 G 0.18 C 0.12 D 0.1 K 0.02 F 0.02 C Shift Assignments>> C :: 177.66(D) CA :: 53.66 CB :: 43.82(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.28(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.50(D) Ave N Shift Values>> N :: 121.98(4.07) 1.G28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.37 L 0.28 G 0.09 C 0.08 D 0.05 K 0.04 F 0.04 C Shift Assignments>> C :: 175.31 CA :: 43.47(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.80(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.06(D) Ave N Shift Values>> N :: 109.91(4.29) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.26 C 0.15 L 0.13 K 0.04 F 0.03 R 0.01 C Shift Assignments>> C :: 176.38 CA :: 50.96 CB :: 41.15 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.15 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.80 Ave N Shift Values>> N :: 120.73(4.2) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.83 I 0.11 A 0.03 C 0.01 C Shift Assignments>> CA :: 56.36 CB :: 15.16 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.88 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.05 Ave N Shift Values>> N :: 123.23(3.7) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.43 P 0.37 I 0.12 C 0.05 W 0.01 C Shift Assignments>> C :: 179.06 CA :: 65.42 CB :: 31.12 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) 1.F32 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 F 0.26 C 0.19 C Shift Assignments>> C :: 181.16(A) CA :: 61.68 CB :: 39.63 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.01 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.96 Ave N Shift Values>> N :: 120.69(4.18) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 C 0.2 K 0.14 L 0.11 I 0.09 D 0.07 R 0.02 C Shift Assignments>> C :: 179.90 CA :: 58.15 CB :: 40.65 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.19 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.12 Ave N Shift Values>> N :: 121.98(4.07) 1.D34 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 C 0.29 D 0.1 I 0.09 N 0.06 E 0.05 L 0.05 C Shift Assignments>> C :: 182.08(A) CA :: 57.00 CB :: 38.90 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.66 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.47 Ave N Shift Values>> N :: 120.73(4.2) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 V 0.19 K 0.1 Q 0.1 E 0.08 M 0.08 W 0.04 I 0.03 R 0.02 H 0.01 P 0.01 C Shift Assignments>> C :: 178.72 CA :: 60.01 CB :: 34.15 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.31 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.72 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 F 0.22 C 0.16 L 0.13 R 0.12 I 0.05 D 0.04 C Shift Assignments>> C :: 181.97(D) CA :: 58.57 CB :: 41.72 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.85(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.98(D) Ave N Shift Values>> N :: 121.98(4.07) 1.R37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 I 0.14 C 0.14 E 0.12 K 0.1 Q 0.09 H 0.08 R 0.08 V 0.02 M 0.01 C Shift Assignments>> C :: 180.28 CA :: 59.57 CB :: 29.01 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.34(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.29(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 C 0.14 I 0.13 E 0.12 R 0.09 K 0.09 H 0.08 Q 0.08 V 0.03 M 0.02 C Shift Assignments>> C :: 180.70 CA :: 59.64 CB :: 29.43 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.65(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.08(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 D 0.21 C 0.21 L 0.12 N 0.1 K 0.04 I 0.03 E 0.01 C Shift Assignments>> C :: 178.41 CA :: 56.09 CB :: 39.85 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.72 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.31 Ave N Shift Values>> N :: 120.73(4.2) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 I 0.13 C 0.13 K 0.11 W 0.11 Q 0.1 E 0.08 H 0.07 L 0.05 C Shift Assignments>> C :: 179.16 CA :: 58.84 CB :: 27.82 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.27 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.91 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.14 R 0.11 E 0.1 K 0.1 V 0.09 M 0.08 H 0.08 Q 0.04 I 0.03 C Shift Assignments>> C :: 180.53(D) CA :: 59.10 CB :: 31.63 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.10 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.33 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 178.50 CA :: 60.74(D) CB :: 62.78(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.83(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.12(D) Ave N Shift Values>> N :: 116.3(3.95) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 K 0.21 C 0.17 L 0.14 D 0.08 I 0.05 R 0.05 C Shift Assignments>> C :: 180.39 CA :: 57.85 CB :: 41.11 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.56 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.65 Ave N Shift Values>> N :: 121.98(4.07) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.13 I 0.12 E 0.12 K 0.11 Q 0.09 H 0.09 R 0.08 V 0.02 M 0.01 C Shift Assignments>> C :: 181.06 CA :: 59.34 CB :: 29.09 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.56 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.56 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 178.17 CA :: 47.22 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.85 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.34 Ave N Shift Values>> N :: 109.91(4.29) 1.R46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 V 0.16 W 0.12 K 0.11 R 0.08 M 0.08 E 0.07 H 0.05 Q 0.04 I 0.02 P 0.02 C Shift Assignments>> C :: 179.32 CA :: 59.65 CB :: 32.36 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.76(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.12(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 C 0.27 P 0.14 A 0.06 N 0.02 L 0.01 D 0.01 C Shift Assignments>> C :: 177.16(D) CA :: 47.91 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.08 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.92 Ave N Shift Values>> N :: 109.91(4.29) 1.S48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 178.67 CA :: 60.91 CB :: 62.02 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.96(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.65(D) Ave N Shift Values>> N :: 116.3(3.95) 1.T49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.97(D) CA :: 66.14 CB :: 67.71 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.23 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.73 Ave N Shift Values>> N :: 115.7(5.05) 1.L50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 K 0.18 D 0.16 R 0.16 C 0.1 F 0.07 N 0.02 C Shift Assignments>> C :: 177.86 CA :: 55.11(D) CB :: 42.30 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.01(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.54(D) Ave N Shift Values>> N :: 121.98(4.07) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 175.66 CA :: 45.85 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.81 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.11 Ave N Shift Values>> N :: 109.91(4.29) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.18 C 0.1 R 0.07 D 0.04 C Shift Assignments>> C :: 178.52 CA :: 52.54 CB :: 44.53 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.79 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.63 Ave N Shift Values>> N :: 121.98(4.07) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.33 C 0.13 L 0.1 F 0.06 K 0.02 HN Overlap>> 1.K20 1.A57 1.K20 1.A57 C Shift Assignments>> C :: 177.49 CA :: 52.80 CB :: 40.11 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.36 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.48 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.12 F 0.04 V 0.03 C Shift Assignments>> C :: 179.80 CA :: 65.13 CB :: 37.85 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.06 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.63 Ave N Shift Values>> N :: 121.6(4.72) 1.E55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 C 0.14 W 0.11 R 0.1 K 0.07 E 0.06 Q 0.06 P 0.05 H 0.05 L 0.02 V 0.01 C Shift Assignments>> C :: 180.14(D) CA :: 60.41 CB :: 27.92 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.68 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.97 Ave N Shift Values>> N :: 120.68(3.68) 1.A56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.53 A 0.41 I 0.02 C 0.02 C Shift Assignments>> C :: 182.01 CA :: 54.57(D) CB :: 17.55(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.38(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.54 Ave N Shift Values>> N :: 123.23(3.7) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 A 0.42 C 0.05 L 0.04 V 0.02 T 0.01 I 0.01 HN Overlap>> 1.N53 1.F14 1.N53 1.F14 C Shift Assignments>> C :: 180.55 CA :: 54.86 CB :: 19.94 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.31 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.38 Ave N Shift Values>> N :: 123.23(3.7) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.40 CA :: 67.37 CB :: 68.45 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.43 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.47 Ave N Shift Values>> N :: 115.7(5.05) 1.H59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.13 R 0.13 W 0.12 C 0.12 Q 0.12 E 0.1 I 0.09 H 0.09 L 0.04 M 0.01 C Shift Assignments>> C :: 178.20 CA :: 58.44 CB :: 28.24 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.32 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.39 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.48 P 0.34 I 0.11 C 0.05 C Shift Assignments>> C :: 179.64 CA :: 65.77 CB :: 31.23 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.45 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.66 Ave N Shift Values>> N :: 121.02(4.96) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 175.29 CA :: 46.70 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.71 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.94 Ave N Shift Values>> N :: 109.91(4.29) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.13 W 0.12 M 0.11 R 0.1 V 0.1 E 0.08 H 0.07 Q 0.05 I 0.01 C Shift Assignments>> C :: 178.28 CA :: 58.80 CB :: 32.29 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.75 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.77 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 K 0.12 C 0.12 Q 0.12 W 0.1 I 0.09 H 0.08 L 0.08 E 0.08 C Shift Assignments>> C :: 180.62 CA :: 58.12 CB :: 27.68 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 6.85 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.62 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.11 F 0.06 C Shift Assignments>> C :: 179.47 CA :: 64.94 CB :: 38.58 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.99 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.27 Ave N Shift Values>> N :: 121.6(4.72) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 P 0.23 I 0.19 C 0.05 C Shift Assignments>> C :: 178.40 CA :: 66.48 CB :: 30.63 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.27 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.47 Ave N Shift Values>> N :: 121.02(4.96) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 C 0.14 W 0.13 R 0.09 K 0.09 E 0.08 Q 0.07 H 0.06 P 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 179.96 CA :: 60.04 CB :: 28.40 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.91 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.18 Ave N Shift Values>> N :: 120.68(3.68) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.13 V 0.13 R 0.1 K 0.1 E 0.09 M 0.08 H 0.06 Q 0.03 I 0.03 P 0.01 C Shift Assignments>> C :: 179.74 CA :: 59.49 CB :: 31.86 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.37 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.19 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.15 F 0.06 V 0.02 C Shift Assignments>> C :: 179.98 CA :: 64.11 CB :: 37.76 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.37 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.81 Ave N Shift Values>> N :: 121.6(4.72) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 C 0.18 L 0.15 D 0.15 K 0.13 I 0.04 N 0.03 R 0.02 C Shift Assignments>> C :: 180.53 CA :: 56.89 CB :: 40.56 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.40 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.79 Ave N Shift Values>> N :: 121.98(4.07) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 K 0.14 M 0.13 W 0.12 R 0.12 E 0.1 H 0.09 Q 0.05 V 0.05 I 0.01 C Shift Assignments>> C :: 179.07 CA :: 57.88 CB :: 31.95 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.91 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.44 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 H 0.14 W 0.12 E 0.12 C 0.11 R 0.1 M 0.03 L 0.02 I 0.02 HN Overlap>> 1.Q25 1.Q25 C Shift Assignments>> C :: 177.69 CA :: 56.49 CB :: 29.06 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.72 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.74 Ave N Shift Values>> N :: 120.68(3.68) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.14 R 0.12 W 0.12 E 0.12 K 0.12 C 0.11 M 0.05 I 0.01 L 0.01 C Shift Assignments>> C :: 176.63 CA :: 55.94 CB :: 29.66 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.70 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.54 Ave N Shift Values>> N :: 120.68(3.68) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.85 CB :: 64.08 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.91 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.69 Ave N Shift Values>> N :: 116.3(3.95) 2.C1 Overall Status: Residue type C not supported. 2.C2 Overall Status: Residue type C not supported. 2.A3 Overall Status: Residue type A not supported. 2.U4 Overall Status: Residue type U not supported. 2.C5 Overall Status: Residue type C not supported. 2.C6 Overall Status: Residue type C not supported. 2.U7 Overall Status: Residue type U not supported. 2.C8 Overall Status: Residue type C not supported. 2.U9 Overall Status: Residue type U not supported. 2.A10 Overall Status: Residue type A not supported. 2.C11 Overall Status: Residue type C not supported. 2.A12 Overall Status: Residue type A not supported. 2.G13 Overall Status: Residue type G not supported. 2.G14 Overall Status: Residue type G not supported. 2.C15 Overall Status: Residue type C not supported. 2.G16 Overall Status: Residue type G not supported. 3.C1 Overall Status: Residue type C not supported. 3.C2 Overall Status: Residue type C not supported. 3.A3 Overall Status: Residue type A not supported. 3.U4 Overall Status: Residue type U not supported. 3.C5 Overall Status: Residue type C not supported. 3.C6 Overall Status: Residue type C not supported. 3.U7 Overall Status: Residue type U not supported. 3.C8 Overall Status: Residue type C not supported. 3.U9 Overall Status: Residue type U not supported. 3.A10 Overall Status: Residue type A not supported. 3.C11 Overall Status: Residue type C not supported. 3.A12 Overall Status: Residue type A not supported. 3.G13 Overall Status: Residue type G not supported. 3.G14 Overall Status: Residue type G not supported. 3.C15 Overall Status: Residue type C not supported. 3.G16 Overall Status: Residue type G not supported. ########################################################################### Overall Results: #Consistent: 47 #Clerical: 22 #Suspicious: 0 #Anomalous: 4 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 73 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 73 #Suspicious: 0 C Shift Results: #Consistent: 179 #Duplicate: 26 #Unknown: 0 #Suspicious: 0 #Anomalous: 4 H Shift Results: #Consistent: 54 #Duplicate: 17 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 55 #Duplicate: 16 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D2 CA = 53.98(D), Expected = 54.52, Std = 2.1000, ChiSquare = 7.9707e-01 1.D2 CB = 41.90(D), Expected = 40.70, Std = 1.6700, ChiSquare = 4.7241e-01 1.D2 H = 8.82(D), Expected = 8.33, Std = 0.5700, ChiSquare = 3.8998e-01 1.D2 N = 124.55(D), Expected = 120.73, Std = 4.2000, ChiSquare = 3.6307e-01 1.S3 C = 177.35(D), Expected = 174.53, Std = 1.7300, ChiSquare = 1.0309e-01 1.S3 CA = 60.42(D), Expected = 58.57, Std = 2.1200, ChiSquare = 3.8286e-01 1.S3 CB = 62.42(D), Expected = 63.80, Std = 1.5700, ChiSquare = 3.7941e-01 1.S3 H = 8.82(D), Expected = 8.29, Std = 0.6200, ChiSquare = 3.9264e-01 1.S3 N = 120.83(D), Expected = 116.30, Std = 3.9500, ChiSquare = 2.5145e-01 1.N4 H = 9.18(D), Expected = 8.37, Std = 0.6500, ChiSquare = 2.1271e-01 1.N4 N = 121.28(D), Expected = 119.13, Std = 4.4200, ChiSquare = 6.2667e-01 1.T5 C = 178.43(D), Expected = 174.60, Std = 1.8000, ChiSquare = 3.3356e-02 1.V6 C = 178.52(D), Expected = 175.69, Std = 2.0300, ChiSquare = 1.6329e-01 1.V6 CA = 67.68(D), Expected = 62.48, Std = 3.0400, ChiSquare = 8.7169e-02 1.V6 H = 7.50(D), Expected = 8.29, Std = 0.7100, ChiSquare = 2.6585e-01 1.V6 N = 124.30(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.0843e-01 1.S7 C = 178.20(D), Expected = 174.53, Std = 1.7300, ChiSquare = 3.3889e-02 1.S7 CA = 61.31(D), Expected = 58.57, Std = 2.1200, ChiSquare = 1.9620e-01 1.S7 H = 8.81(D), Expected = 8.29, Std = 0.6200, ChiSquare = 4.0163e-01 1.S7 N = 115.34(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.0798e-01 1.S8 C = 175.63(D), Expected = 174.53, Std = 1.7300, ChiSquare = 5.2488e-01 1.S8 CA = 63.19(D), Expected = 58.57, Std = 2.1200, ChiSquare = 2.9313e-02 1.S8 H = 8.20(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.8458e-01 1.S8 N = 117.01(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.5735e-01 1.F9 CA = 61.18(D), Expected = 58.25, Std = 2.7300, ChiSquare = 2.8315e-01 1.F9 H = 7.35(D), Expected = 8.42, Std = 0.7400, ChiSquare = 1.4819e-01 1.F9 N = 121.24(D), Expected = 120.69, Std = 4.1800, ChiSquare = 8.9532e-01 1.D12 C = 181.85(A), Expected = 176.41, Std = 1.7700, ChiSquare = 2.1160e-03 1.V23 C = 182.22(A), Expected = 175.69, Std = 2.0300, ChiSquare = 1.2965e-03 1.L27 C = 177.66(D), Expected = 176.97, Std = 2.0900, ChiSquare = 7.4129e-01 1.L27 CB = 43.82(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.3564e-01 1.L27 H = 7.28(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.4813e-01 1.L27 N = 115.50(D), Expected = 121.98, Std = 4.0700, ChiSquare = 1.1135e-01 1.G28 CA = 43.47(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.9024e-01 1.G28 H = 7.80(D), Expected = 8.34, Std = 0.7400, ChiSquare = 4.6556e-01 1.G28 N = 104.06(D), Expected = 109.91, Std = 4.2900, ChiSquare = 1.7268e-01 1.F32 C = 181.16(A), Expected = 175.49, Std = 2.1300, ChiSquare = 7.7684e-03 1.D34 C = 182.08(A), Expected = 176.41, Std = 1.7700, ChiSquare = 1.3582e-03 1.L36 C = 181.97(D), Expected = 176.97, Std = 2.0900, ChiSquare = 1.6741e-02 1.L36 H = 7.85(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.6920e-01 1.L36 N = 122.98(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.0591e-01 1.R37 H = 8.34(D), Expected = 8.24, Std = 0.6000, ChiSquare = 8.6763e-01 1.R37 N = 119.29(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.3502e-01 1.R38 H = 7.65(D), Expected = 8.24, Std = 0.6000, ChiSquare = 3.2544e-01 1.R38 N = 122.08(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.0623e-01 1.K41 C = 180.53(D), Expected = 176.46, Std = 2.0500, ChiSquare = 4.7104e-02 1.S42 CA = 60.74(D), Expected = 58.57, Std = 2.1200, ChiSquare = 3.0603e-01 1.S42 CB = 62.78(D), Expected = 63.80, Std = 1.5700, ChiSquare = 5.1590e-01 1.S42 H = 7.83(D), Expected = 8.29, Std = 0.6200, ChiSquare = 4.5813e-01 1.S42 N = 116.12(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.6365e-01 1.R46 H = 8.76(D), Expected = 8.24, Std = 0.6000, ChiSquare = 3.8612e-01 1.R46 N = 123.12(D), Expected = 120.61, Std = 3.9000, ChiSquare = 5.1984e-01 1.G47 C = 177.16(D), Expected = 174.04, Std = 1.9400, ChiSquare = 1.0778e-01 1.S48 H = 7.96(D), Expected = 8.29, Std = 0.6200, ChiSquare = 5.9455e-01 1.S48 N = 116.65(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.2939e-01 1.T49 C = 176.97(D), Expected = 174.60, Std = 1.8000, ChiSquare = 1.8795e-01 1.L50 CA = 55.11(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.0696e-01 1.L50 H = 8.01(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.4664e-01 1.L50 N = 118.54(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.9799e-01 1.E55 C = 180.14(D), Expected = 176.93, Std = 2.1100, ChiSquare = 1.2818e-01 1.A56 CA = 54.57(D), Expected = 53.16, Std = 2.0600, ChiSquare = 4.9368e-01 1.A56 CB = 17.55(D), Expected = 18.90, Std = 1.8500, ChiSquare = 4.6556e-01 1.A56 H = 8.38(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6418e-01