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 0.28 Q 0.28 K 0.2 E 0.07 H 0.04 R 0.04 W 0.02 Y 0.01 C Shift Assignments>> C :: 173.424 CA :: 55.631 CB :: 34.253 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.E2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 Q 0.28 K 0.21 H 0.06 R 0.06 W 0.03 E 0.01 C Shift Assignments>> C :: 174.117(D) CA :: 55.321(D) CB :: 33.852(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 :: 8.806 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 :: 124.439 Ave N Shift Values>> N :: 120.67(3.48) 1.A3 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.68 L 0.21 K 0.05 R 0.01 C Shift Assignments>> C :: 174.383(D) CA :: 50.393(D) CB :: 25.060(S) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.968(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.238(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.33 Y 0.28 I 0.14 K 0.11 L 0.07 D 0.03 C Shift Assignments>> C :: 176.145(D) CA :: 59.241(D) CB :: 40.881(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 :: 8.834(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 :: 119.085(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.73 L 0.23 M 0.01 C Shift Assignments>> C :: 178.984(D) CA :: 52.929(D) CB :: 21.416(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.784(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.199(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 Q 0.24 K 0.23 R 0.08 H 0.08 W 0.05 E 0.03 C Shift Assignments>> C :: 174.428(D) CA :: 56.522(D) CB :: 33.370(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 :: 9.411(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 :: 126.017(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.34 Q 0.22 K 0.15 E 0.1 N 0.06 H 0.03 R 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 173.003(D) CA :: 53.688(D) CB :: 34.826 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.466(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 :: 114.148(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 D 0.24 K 0.19 F 0.09 R 0.06 Y 0.06 N 0.03 C Shift Assignments>> C :: 175.739(D) CA :: 54.970(D) CB :: 41.822(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.532(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 :: 119.272(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.29 L 0.18 K 0.17 F 0.15 Y 0.1 D 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 173.645 CA :: 58.078 CB :: 42.816(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.560(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 :: 121.342(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 171.614(D) CA :: 55.742 CB :: 63.459(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.636(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.632(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 L 0.11 M 0.02 C Shift Assignments>> C :: 178.482(D) CA :: 52.918(D) CB :: 20.870(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.267(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.512(D) Ave N Shift Values>> N :: 123.23(3.54) 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 :: 173.450(D) CA :: 61.944(D) CB :: 70.219(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 :: 9.101(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.731(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.65 L 0.32 K 0.01 C Shift Assignments>> C :: 178.259(D) CA :: 50.788(D) CB :: 22.354(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.539(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.066(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.22 D 0.18 L 0.17 K 0.07 N 0.04 I 0.03 C Shift Assignments>> C :: 176.100(D) CA :: 56.685(D) CB :: 40.510(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.604(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 :: 119.082(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 N 0.34 L 0.13 F 0.08 Y 0.07 K 0.01 C Shift Assignments>> C :: 176.165(D) CA :: 53.308 CB :: 40.106 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 :: 8.250(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 :: 114.675(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 Q 0.23 K 0.22 R 0.09 H 0.08 W 0.05 E 0.03 C Shift Assignments>> C :: 175.207(D) CA :: 55.413(D) CB :: 33.301(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.415(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 :: 119.371(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.14 D 0.01 R 0.01 HN Overlap>> 1.I27 1.I27 C Shift Assignments>> C :: 174.398(D) CA :: 53.614 CB :: 45.416 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 :: 8.546(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 :: 124.678(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.799(D) CA :: 58.899(D) CB :: 64.590(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.865(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.601(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F19 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 0.16 K 0.11 I 0.03 N 0.02 C Shift Assignments>> CA :: 56.910(D) CB :: 40.744 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 :: 8.675(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 :: 114.678(D) Ave N Shift Values>> N :: 120.45(4.18) 1.R20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.33 Q 0.2 K 0.18 H 0.1 R 0.09 W 0.04 E 0.02 C Shift Assignments>> C :: 175.863(D) CA :: 53.221(D) CB :: 33.218(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.414(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 :: 119.286(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.K21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.13 F 0.13 W 0.11 S 0.1 E 0.09 K 0.07 R 0.07 H 0.06 Q 0.06 M 0.04 L 0.03 I 0.02 T 0.01 D 0.01 C Shift Assignments>> C :: 177.378(D) CA :: 58.174(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 :: 9.229(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 :: 120.445(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 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 :: 173.446(D) CA :: 66.488(D) CB :: 69.331(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.810(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.101(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 E 0.15 W 0.15 K 0.14 R 0.14 M 0.05 I 0.01 C Shift Assignments>> C :: 174.219(D) CA :: 56.457 CB :: 29.534 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 :: 8.191(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 :: 120.727(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.34 Y 0.33 F 0.27 E 0.03 C Shift Assignments>> C :: 175.762(D) CA :: 59.734(D) CB :: 38.469 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 :: 8.187(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.495(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.55 L 0.28 R 0.08 D 0.04 F 0.01 C Shift Assignments>> C :: 177.346 CA :: 54.017(D) CB :: 44.742(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.087(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 :: 127.996(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 Q 0.23 K 0.22 R 0.09 H 0.08 W 0.05 E 0.03 C Shift Assignments>> CA :: 55.413 CB :: 33.279(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 :: 8.236(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 :: 121.979(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.35 I 0.12 Y 0.12 M 0.11 K 0.1 Q 0.07 F 0.05 H 0.01 W 0.01 R 0.01 HN Overlap>> 1.L17 1.L17 C Shift Assignments>> C :: 175.685 CA :: 59.220(D) CB :: 35.551(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 :: 8.549(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 :: 124.704(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 R 0.23 D 0.14 K 0.14 F 0.07 Y 0.05 G 0.01 N 0.01 C Shift Assignments>> C :: 177.367(D) CA :: 55.487(D) CB :: 42.739(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.230(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 :: 128.564(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.25 K 0.13 N 0.09 F 0.09 Y 0.06 R 0.02 C Shift Assignments>> C :: 173.555(D) CA :: 54.150(D) CB :: 41.359(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.639(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.092(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.28 Q 0.21 K 0.21 R 0.09 H 0.09 W 0.05 E 0.03 C Shift Assignments>> C :: 174.746(D) CA :: 55.084(D) CB :: 33.202(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.813(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.455(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.16 M 0.15 W 0.13 K 0.13 E 0.13 Q 0.09 C Shift Assignments>> C :: 176.743(D) CA :: 56.490(D) CB :: 31.323(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 :: 8.110(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 :: 121.367(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.21 N 0.13 F 0.11 Y 0.08 K 0.08 C Shift Assignments>> C :: 176.495 CA :: 54.366 CB :: 40.869(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.429(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 :: 121.302(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 D 0.27 K 0.16 R 0.1 F 0.06 Y 0.04 N 0.04 HN Overlap>> 1.H58 1.H58 C Shift Assignments>> C :: 175.442(D) CA :: 54.139 CB :: 42.152 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 :: 8.253(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.919(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.946(D) CA :: 59.225(D) CB :: 64.154(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.178(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.906(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.33 D 0.29 F 0.12 L 0.11 Y 0.11 C Shift Assignments>> C :: 174.643(D) CA :: 54.092(D) CB :: 39.670(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 :: 8.915(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 :: 119.430(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.17 R 0.16 H 0.15 W 0.11 E 0.09 Q 0.06 C Shift Assignments>> C :: 174.990(D) CA :: 56.057(D) CB :: 31.912(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.998(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.409(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.43 D 0.31 L 0.1 F 0.07 Y 0.06 C Shift Assignments>> C :: 175.289(D) CA :: 52.976 CB :: 39.785(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.975(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.632(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 M 0.17 H 0.16 K 0.14 W 0.13 E 0.12 Q 0.08 C Shift Assignments>> C :: 175.773 CA :: 56.442(D) CB :: 31.448(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 :: 8.732(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 :: 121.321(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.A39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.94 M 0.04 C Shift Assignments>> C :: 173.346(D) CA :: 50.846(D) CB :: 19.112 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.566(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.356(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.33 Q 0.29 K 0.2 H 0.05 R 0.05 W 0.02 E 0.01 N 0.01 C Shift Assignments>> C :: 174.862(D) CA :: 54.615(D) CB :: 34.137(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 :: 8.944(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 :: 118.410(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.17 C Shift Assignments>> C :: 175.914(D) CA :: 54.881 CB :: 45.890 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 :: 8.927(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 :: 125.878(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 F 0.2 Y 0.19 L 0.15 N 0.14 I 0.02 K 0.01 C Shift Assignments>> C :: 175.740(D) CA :: 55.562(D) CB :: 39.959 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.649(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 :: 129.624(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.08 C Shift Assignments>> CA :: 45.547(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.162(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.770(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.31 Q 0.25 K 0.17 E 0.12 H 0.03 R 0.03 N 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 176.996 CA :: 54.919(D) CB :: 34.684(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 :: 7.929(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 :: 122.571(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E45 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 H 0.07 R 0.06 W 0.03 E 0.01 C Shift Assignments>> C :: 177.042 CA :: 53.774 CB :: 33.745(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 :: 8.452(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.575(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.08 C Shift Assignments>> CA :: 45.642(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.854(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.995(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.43 L 0.33 R 0.13 D 0.05 F 0.02 Y 0.01 C Shift Assignments>> C :: 177.683(D) CA :: 54.757(D) CB :: 44.600(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.254(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.589(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 L 0.19 Y 0.17 K 0.17 D 0.16 I 0.02 N 0.02 R 0.01 C Shift Assignments>> C :: 174.635 CA :: 56.777(D) CB :: 41.062 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 :: 9.398(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 :: 112.583(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> W 0.26 I 0.18 E 0.13 R 0.11 H 0.09 Q 0.06 K 0.06 P 0.05 M 0.02 C Shift Assignments>> C :: 178.866 CA :: 60.896 CB :: 30.185 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.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.164 CA :: 60.427 CB :: 62.392 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.861 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.798 Ave N Shift Values>> N :: 116.28(3.52) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 E 0.19 M 0.15 Y 0.08 F 0.05 K 0.03 D 0.02 Q 0.01 C Shift Assignments>> C :: 175.860 CA :: 53.684 CB :: 36.525 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 :: 8.362 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.239 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.33 I 0.19 D 0.03 L 0.03 E 0.01 N 0.01 C Shift Assignments>> C :: 174.983(D) CA :: 58.521(D) CB :: 38.989(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 :: 7.708 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.047 Ave N Shift Values>> N :: 120.52(4.2) 1.I53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.26 F 0.21 Y 0.15 L 0.13 R 0.12 D 0.04 I 0.04 C Shift Assignments>> C :: 173.802(D) CA :: 58.547(D) CB :: 42.083(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.227(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 :: 110.779(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.3 Q 0.21 K 0.2 H 0.09 R 0.09 W 0.05 E 0.02 C Shift Assignments>> C :: 175.677(D) CA :: 54.243(D) CB :: 33.203(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 :: 8.747(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.373(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 R 0.17 K 0.16 H 0.16 W 0.11 E 0.09 Q 0.07 C Shift Assignments>> C :: 176.526(D) CA :: 55.387(D) CB :: 31.820(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.989(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 125.248(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 M 0.23 Q 0.19 R 0.1 H 0.09 W 0.07 E 0.05 C Shift Assignments>> C :: 175.892(D) CA :: 56.651(D) CB :: 33.009 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 :: 8.667(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.964(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.48 D 0.26 F 0.08 L 0.08 Y 0.07 C Shift Assignments>> C :: 174.442 CA :: 53.205 CB :: 39.360(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 :: 8.514(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 :: 121.075(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.18 W 0.14 E 0.14 Q 0.14 M 0.1 K 0.07 HN Overlap>> 1.D33 1.D33 C Shift Assignments>> C :: 173.729(D) CA :: 55.817 CB :: 30.535 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.220(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.003(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 K 0.22 D 0.16 R 0.13 F 0.11 Y 0.07 N 0.01 C Shift Assignments>> C :: 175.008(D) CA :: 55.920(D) CB :: 42.152(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.207(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 :: 127.026(D) Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 4 #Clerical: 54 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 59 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 59 #Suspicious: 0 C Shift Results: #Consistent: 47 #Duplicate: 122 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 4 #Duplicate: 53 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 4 #Duplicate: 53 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E2 C = 174.117(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.5801e-01 1.E2 CA = 55.321(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.3884e-01 1.E2 CB = 33.852(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.5501e-02 1.A3 C = 174.383(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.1501e-01 1.A3 CA = 50.393(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6533e-01 1.A3 CB = 25.060(S), Expected = 19.01, Std = 1.8300, ChiSquare = 9.4634e-04 1.A3 H = 8.968(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.0054e-01 1.A3 N = 122.238(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7930e-01 1.I4 C = 176.145(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.7789e-01 1.I4 CA = 59.241(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.7672e-01 1.I4 CB = 40.881(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.6513e-01 1.I4 H = 8.834(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.1524e-01 1.I4 N = 119.085(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.7896e-01 1.A5 C = 178.984(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.5920e-01 1.A5 CA = 52.929(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.1513e-01 1.A5 CB = 21.416(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.8859e-01 1.A5 H = 8.784(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.3039e-01 1.A5 N = 128.199(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.6042e-01 1.K6 C = 174.428(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.6873e-01 1.K6 CA = 56.522(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.4575e-01 1.K6 CB = 33.370(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.4454e-01 1.K6 H = 9.411(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.1851e-02 1.K6 N = 126.017(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.8767e-01 1.H7 C = 173.003(D), Expected = 175.25, Std = 1.9700, ChiSquare = 2.5403e-01 1.H7 CA = 53.688(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.2021e-01 1.H7 H = 7.466(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.5502e-01 1.H7 N = 114.148(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.6590e-01 1.D8 C = 175.739(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.0564e-01 1.D8 CA = 54.970(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.9030e-01 1.D8 CB = 41.822(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.6092e-01 1.D8 H = 8.532(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.0190e-01 1.D8 N = 119.272(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.2110e-01 1.F9 CB = 42.816(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.7633e-01 1.F9 H = 8.560(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.8118e-01 1.F9 N = 121.342(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.3102e-01 1.S10 C = 171.614(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.0521e-02 1.S10 CB = 63.459(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.1778e-01 1.S10 H = 7.636(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.7504e-01 1.S10 N = 123.632(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.6740e-02 1.A11 C = 178.482(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.2757e-01 1.A11 CA = 52.918(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.1073e-01 1.A11 CB = 20.870(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.0944e-01 1.A11 H = 8.267(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.1109e-01 1.A11 N = 127.512(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.2643e-01 1.T12 C = 173.450(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.3571e-01 1.T12 CA = 61.944(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.1514e-01 1.T12 CB = 70.219(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.6418e-01 1.T12 H = 9.101(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.6492e-01 1.T12 N = 113.731(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.2216e-01 1.A13 C = 178.259(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.0749e-01 1.A13 CA = 50.788(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.3488e-01 1.A13 CB = 22.354(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.7651e-02 1.A13 H = 7.539(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.7061e-01 1.A13 N = 124.066(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.1331e-01 1.D14 C = 176.100(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.6389e-01 1.D14 CA = 56.685(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.2573e-01 1.D14 CB = 40.510(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.1934e-01 1.D14 H = 8.604(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.1223e-01 1.D14 N = 119.082(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.8458e-01 1.D15 C = 176.165(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.9318e-01 1.D15 H = 8.250(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.1761e-01 1.D15 N = 114.675(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.2164e-01 1.E16 C = 175.207(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.9376e-01 1.E16 CA = 55.413(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.6154e-01 1.E16 CB = 33.301(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.5701e-02 1.E16 H = 7.415(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.2094e-01 1.E16 N = 119.371(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.0894e-01 1.L17 C = 174.398(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.9050e-01 1.L17 H = 8.546(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.2686e-01 1.L17 N = 124.678(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.6995e-01 1.S18 C = 173.799(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.3313e-01 1.S18 CA = 58.899(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.3109e-01 1.S18 CB = 64.590(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.9349e-01 1.S18 H = 7.865(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.8181e-01 1.S18 N = 117.601(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.0745e-01 1.F19 CA = 56.910(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.4893e-01 1.F19 H = 8.675(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.6175e-01 1.F19 N = 114.678(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.6732e-01 1.R20 C = 175.863(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.8758e-01 1.R20 CA = 53.221(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.2445e-01 1.R20 CB = 33.218(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.6883e-01 1.R20 H = 9.414(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.4281e-02 1.R20 N = 119.286(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.8077e-01 1.K21 C = 177.378(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.1213e-01 1.K21 CA = 58.174(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.7796e-01 1.K21 H = 9.229(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.3333e-02 1.K21 N = 120.445(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.7251e-01 1.T22 C = 173.446(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.3421e-01 1.T22 CA = 66.488(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.9378e-02 1.T22 CB = 69.331(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.0662e-01 1.T22 H = 8.810(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.5791e-01 1.T22 N = 117.101(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.2342e-01 1.Q23 C = 174.219(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.8358e-01 1.Q23 H = 8.191(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.6080e-01 1.Q23 N = 120.727(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.1615e-01 1.I24 C = 175.762(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.6344e-01 1.I24 CA = 59.734(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.8393e-01 1.I24 H = 8.187(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.9122e-01 1.I24 N = 120.495(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.2162e-01 1.L25 CA = 54.017(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.5170e-01 1.L25 CB = 44.742(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.9580e-01 1.L25 H = 9.087(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.8735e-01 1.L25 N = 127.996(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1564e-01 1.K26 CB = 33.279(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.8353e-01 1.K26 H = 8.236(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.3889e-01 1.K26 N = 121.979(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.0536e-01 1.I27 CA = 59.220(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.7251e-01 1.I27 CB = 35.551(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.2744e-01 1.I27 H = 8.549(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.9241e-01 1.I27 N = 124.704(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.4848e-01 1.L28 C = 177.367(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.4899e-01 1.L28 CA = 55.487(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.5021e-01 1.L28 CB = 42.739(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.1950e-01 1.L28 H = 9.230(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.2394e-01 1.L28 N = 128.564(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.5619e-02 1.N29 C = 173.555(D), Expected = 175.27, Std = 1.7900, ChiSquare = 3.3801e-01 1.N29 CA = 54.150(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.4558e-01 1.N29 CB = 41.359(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.1427e-01 1.N29 H = 7.639(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.6584e-01 1.N29 N = 114.092(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.2995e-01 1.M30 C = 174.746(D), Expected = 176.18, Std = 2.0900, ChiSquare = 4.9263e-01 1.M30 CA = 55.084(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.4545e-01 1.M30 CB = 33.202(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.2460e-01 1.M30 H = 8.813(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.5670e-01 1.M30 N = 123.455(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.4590e-01 1.E31 C = 176.743(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.4807e-01 1.E31 CA = 56.490(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.9127e-01 1.E31 CB = 31.323(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.4524e-01 1.E31 H = 8.110(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.0924e-01 1.E31 N = 121.367(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.4126e-01 1.D32 CB = 40.869(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.9458e-01 1.D32 H = 8.429(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.3744e-01 1.D32 N = 121.302(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.6587e-01 1.D33 C = 175.442(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.8408e-01 1.D33 H = 8.253(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.2171e-01 1.D33 N = 118.919(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.5383e-01 1.S34 C = 174.946(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.4967e-01 1.S34 CA = 59.225(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.0726e-01 1.S34 CB = 64.154(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.1096e-01 1.S34 H = 8.178(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.6274e-01 1.S34 N = 115.906(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.1538e-01 1.N35 C = 174.643(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.2613e-01 1.N35 CA = 54.092(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.6905e-01 1.N35 CB = 39.670(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.6199e-01 1.N35 H = 8.915(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.6140e-01 1.N35 N = 119.430(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.0126e-01 1.W36 C = 174.990(D), Expected = 176.12, Std = 2.0100, ChiSquare = 5.7399e-01 1.W36 CA = 56.057(D), Expected = 57.66, Std = 2.5800, ChiSquare = 5.3439e-01 1.W36 CB = 31.912(D), Expected = 30.01, Std = 2.0100, ChiSquare = 3.4401e-01 1.W36 H = 7.998(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.1167e-01 1.W36 N = 121.409(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.4831e-01 1.Y37 C = 175.289(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.5552e-01 1.Y37 CB = 39.785(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.2955e-01 1.Y37 H = 8.975(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.6958e-01 1.Y37 N = 120.632(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.7873e-01 1.R38 CA = 56.442(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.8709e-01 1.R38 CB = 31.448(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.8273e-01 1.R38 H = 8.732(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.1992e-01 1.R38 N = 121.321(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.8742e-01 1.A39 C = 173.346(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.9121e-02 1.A39 CA = 50.846(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.4662e-01 1.A39 H = 9.566(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.2806e-02 1.A39 N = 131.356(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.1706e-02 1.E40 C = 174.862(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.0313e-01 1.E40 CA = 54.615(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.9558e-01 1.E40 CB = 34.137(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.6421e-02 1.E40 H = 8.944(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.9803e-01 1.E40 N = 118.410(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.1606e-01 1.L41 C = 175.914(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.8683e-01 1.L41 H = 8.927(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.8358e-01 1.L41 N = 125.878(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.0289e-01 1.D42 C = 175.740(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.0607e-01 1.D42 CA = 55.562(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.6752e-01 1.D42 H = 9.649(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.0965e-02 1.D42 N = 129.624(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.0079e-02 1.G43 CA = 45.547(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.8312e-01 1.G43 H = 9.162(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.0054e-01 1.G43 N = 104.770(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.0546e-01 1.K44 CA = 54.919(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.5591e-01 1.K44 CB = 34.684(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.8731e-01 1.K44 H = 7.929(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.6356e-01 1.K44 N = 122.571(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.8662e-01 1.E45 CB = 33.745(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.9893e-02 1.E45 H = 8.452(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.3618e-01 1.E45 N = 120.575(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.7822e-01 1.G46 CA = 45.642(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.2750e-01 1.G46 H = 8.854(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.2015e-01 1.G46 N = 107.995(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.6515e-01 1.L47 C = 177.683(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.2634e-01 1.L47 CA = 54.757(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.8536e-01 1.L47 CB = 44.600(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.2319e-01 1.L47 H = 9.254(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.1517e-01 1.L47 N = 120.589(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.4450e-01 1.I48 CA = 56.777(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.1332e-02 1.I48 H = 9.398(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.0015e-01 1.I48 N = 112.583(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.8073e-02 1.Y52 C = 174.983(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.3402e-01 1.Y52 CA = 58.521(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.7621e-01 1.Y52 CB = 38.989(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.7821e-01 1.I53 C = 173.802(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.8612e-01 1.I53 CA = 58.547(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.5308e-01 1.I53 CB = 42.083(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.7376e-02 1.I53 H = 7.227(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.2149e-01 1.I53 N = 110.779(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.2576e-02 1.E54 C = 175.677(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.4067e-01 1.E54 CA = 54.243(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.4095e-01 1.E54 CB = 33.203(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.3397e-02 1.E54 H = 8.747(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.7970e-01 1.E54 N = 120.373(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.3199e-01 1.M55 C = 176.526(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.6851e-01 1.M55 CA = 55.387(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.4577e-01 1.M55 CB = 31.820(D), Expected = 32.99, Std = 2.2400, ChiSquare = 6.0145e-01 1.M55 H = 8.989(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.2437e-01 1.M55 N = 125.248(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.4851e-01 1.K56 C = 175.892(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.0840e-01 1.K56 CA = 56.651(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.9189e-01 1.K56 H = 8.667(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.2661e-01 1.K56 N = 123.964(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.3956e-01 1.N57 CB = 39.360(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.9177e-01 1.N57 H = 8.514(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.8240e-01 1.N57 N = 121.075(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.9455e-01 1.H58 C = 173.729(D), Expected = 175.25, Std = 1.9700, ChiSquare = 4.4007e-01 1.H58 H = 8.220(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.7654e-01 1.H58 N = 119.003(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.6363e-01 1.D59 C = 175.008(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.2636e-01 1.D59 CA = 55.920(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.4457e-01 1.D59 CB = 42.152(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.3235e-01 1.D59 H = 8.207(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.5905e-01 1.D59 N = 127.026(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.8573e-02