Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.P1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> T 0.27 V 0.25 I 0.22 P 0.12 F 0.03 Y 0.02 W 0.02 C Shift Assignments>> C :: 178.42 CA :: 62.21 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.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.11 H 0.1 Q 0.09 D 0.08 R 0.08 K 0.07 W 0.06 E 0.06 F 0.04 Y 0.04 N 0.03 A 0.02 C Shift Assignments>> C :: 176.02 CA :: 55.66 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 :: 8.91 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 :: 120.36 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 T 0.2 V 0.19 F 0.07 Y 0.07 W 0.05 P 0.04 E 0.02 R 0.01 K 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 176.29 CA :: 61.1 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 :: 8.55 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 :: 124.43 Ave N Shift Values>> N :: 121.46(4.28) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 T 0.25 V 0.23 P 0.09 F 0.04 Y 0.04 W 0.03 HN Overlap>> 1.V82 1.V82 C Shift Assignments>> C :: 174.04 CA :: 61.83 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 :: 8.49 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.84 Ave N Shift Values>> N :: 115.42(4.75) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.14 L 0.13 M 0.1 H 0.08 Q 0.07 R 0.07 N 0.07 K 0.06 A 0.05 W 0.05 E 0.04 F 0.03 Y 0.03 C Shift Assignments>> C :: 176.72 CA :: 55.03 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 :: 8.45 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.14 Ave N Shift Values>> N :: 121.86(3.9) 1.W6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.12 W 0.11 K 0.1 F 0.1 Y 0.1 R 0.09 H 0.08 Q 0.08 M 0.06 L 0.04 D 0.02 I 0.01 V 0.01 C Shift Assignments>> C :: 175.67 CA :: 57.47 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.3 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.75 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.14 M 0.11 D 0.1 H 0.09 Q 0.08 R 0.08 K 0.07 W 0.05 E 0.05 N 0.04 F 0.04 Y 0.04 A 0.03 C Shift Assignments>> C :: 175.16 CA :: 55.43 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.05 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 :: 124.64 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 N 0.15 A 0.13 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.17 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.24 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.32 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.P9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.31 V 0.25 T 0.21 I 0.16 F 0.01 Y 0.01 C Shift Assignments>> C :: 176.58 CA :: 63.602(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.L10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.14 A 0.11 L 0.11 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 E 0.03 F 0.02 Y 0.02 C Shift Assignments>> C :: 177.39 CA :: 54.267(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.577(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 :: 120.817(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.14 F 0.14 W 0.11 I 0.1 E 0.07 V 0.07 T 0.07 K 0.06 R 0.05 H 0.04 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 176.02 CA :: 59.497(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.121(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.875(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.27 V 0.26 I 0.22 P 0.13 F 0.02 Y 0.02 W 0.02 C Shift Assignments>> C :: 174.19 CA :: 62.297(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 :: 8.202(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.946(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.14 Y 0.14 W 0.12 E 0.1 K 0.08 R 0.08 H 0.07 Q 0.07 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 175.65 CA :: 58.059(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 :: 9.244(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.442(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.18 L 0.12 N 0.1 M 0.09 A 0.08 H 0.07 Q 0.06 R 0.06 K 0.05 W 0.04 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> C :: 175.79 CA :: 54.650(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 :: 8.793(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.848(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.I15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.14 F 0.14 W 0.11 I 0.1 E 0.07 V 0.06 T 0.06 K 0.06 R 0.06 H 0.05 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 176.94 CA :: 59.424(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 :: 8.892(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 :: 124.953(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.86 CA :: 47.053(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.635(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.359(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 174.15 CA :: 45.246(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.747(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.873(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.12 L 0.11 A 0.1 M 0.09 H 0.07 Q 0.06 R 0.06 K 0.05 W 0.04 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 176.08 CA :: 54.439(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.997(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 :: 119.864(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.13 L 0.11 A 0.11 M 0.08 H 0.07 Q 0.06 R 0.06 K 0.04 W 0.04 E 0.03 F 0.02 Y 0.02 C Shift Assignments>> C :: 177.46 CA :: 54.341(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.416(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.617(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.25 A 0.21 D 0.14 L 0.08 M 0.06 H 0.04 R 0.04 Q 0.03 K 0.03 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> C :: 176.56 CA :: 53.525(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 :: 8.989(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 :: 123.446(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 D 0.11 M 0.11 H 0.09 Q 0.08 R 0.08 K 0.07 W 0.05 E 0.05 N 0.05 F 0.04 Y 0.04 A 0.04 HN Overlap>> 1.N25 1.N25 C Shift Assignments>> C :: 176.25 CA :: 55.354(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 :: 8.552(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 :: 119.919(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.43 A 0.24 N 0.15 D 0.05 L 0.02 M 0.01 H 0.01 R 0.01 C Shift Assignments>> C :: 177.64 CA :: 50.988(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.257(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.786(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.21 A 0.17 D 0.15 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.01 C Shift Assignments>> C :: 177.43 CA :: 53.779(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.611(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 :: 120.201(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.18 L 0.11 N 0.1 M 0.09 A 0.08 H 0.07 Q 0.06 R 0.06 K 0.05 W 0.04 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> C :: 177.05 CA :: 54.642(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.517(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 :: 122.212(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.28 N 0.24 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.E21 1.E21 C Shift Assignments>> C :: 175.58 CA :: 53.18 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 :: 8.59 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 :: 119.94 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.31 V 0.25 T 0.22 I 0.16 F 0.01 Y 0.01 C Shift Assignments>> C :: 175.39 CA :: 63.627(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 :: 8.33 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 :: 114.07 Ave N Shift Values>> N :: 115.42(4.75) 1.G27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 173.99 CA :: 45.210(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.287(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.023(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.46 A 0.23 N 0.14 D 0.05 L 0.02 M 0.01 H 0.01 R 0.01 C Shift Assignments>> C :: 177.6 CA :: 50.937(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.348(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.103(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.12 W 0.11 K 0.1 F 0.1 Y 0.1 R 0.09 H 0.08 Q 0.08 M 0.06 L 0.04 D 0.02 I 0.01 V 0.01 C Shift Assignments>> C :: 176.21 CA :: 57.468(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 :: 8.665(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 :: 121.169(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.16 A 0.13 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> C :: 176.72 CA :: 54.121(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 :: 7.580(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 :: 116.170(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.27 V 0.26 T 0.22 I 0.18 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 174.85 CA :: 63.113(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 :: 8.730(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.944(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.17 T 0.12 V 0.12 Y 0.12 F 0.11 W 0.09 E 0.04 K 0.04 R 0.04 H 0.03 Q 0.02 M 0.01 P 0.01 C Shift Assignments>> C :: 176.35 CA :: 60.215(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.705(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.016(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.34 N 0.25 D 0.12 L 0.05 M 0.04 H 0.03 P 0.02 R 0.02 Q 0.02 W 0.01 K 0.01 F 0.01 Y 0.01 C Shift Assignments>> C :: 177.68 CA :: 52.254(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 :: 9.231(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 :: 126.210(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 D 0.13 M 0.1 H 0.09 Q 0.08 R 0.07 K 0.06 N 0.06 W 0.05 A 0.05 E 0.04 F 0.04 Y 0.03 C Shift Assignments>> C :: 176.88 CA :: 55.158(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 :: 8.039(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.954(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.14 F 0.14 W 0.12 E 0.09 K 0.08 R 0.07 H 0.06 Q 0.06 M 0.04 I 0.03 L 0.03 V 0.02 T 0.02 D 0.01 C Shift Assignments>> C :: 176.85 CA :: 58.410(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 :: 7.334(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.897(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.18 L 0.12 N 0.09 M 0.09 A 0.08 H 0.07 Q 0.06 R 0.06 K 0.05 W 0.04 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> C :: 176.06 CA :: 54.680(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 :: 6.965(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 :: 120.048(D) Ave N Shift Values>> N :: 120.09(3.57) 1.N37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.32 N 0.25 D 0.12 L 0.06 M 0.04 H 0.03 R 0.02 Q 0.02 W 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.I72 1.I72 C Shift Assignments>> C :: 174.75 CA :: 52.633(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 :: 8.654(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 :: 119.415(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.15 Y 0.12 F 0.12 T 0.11 V 0.1 W 0.1 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 60.001(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.321(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 :: 124.481(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.27 T 0.24 P 0.2 I 0.19 F 0.02 Y 0.01 W 0.01 C Shift Assignments>> C :: 177.82 CA :: 62.750(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.G40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.48 L 0.26 R 0.15 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.3 CA :: 44.404(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.292(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.220(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.11 M 0.11 R 0.1 K 0.09 L 0.08 E 0.07 W 0.07 F 0.06 Y 0.05 D 0.05 N 0.01 A 0.01 C Shift Assignments>> C :: 176.22 CA :: 56.363(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 :: 8.348(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 :: 119.345(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.19 D 0.16 A 0.15 L 0.09 M 0.07 H 0.06 R 0.05 Q 0.05 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 HN Overlap>> 1.Q92 1.Q92 C Shift Assignments>> C :: 175.68 CA :: 53.950(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 :: 7.347(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 :: 118.263(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.3 N 0.24 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 52.996(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 :: 8.436(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 :: 118.246(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.26 P 0.24 T 0.23 I 0.19 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 176.73 CA :: 62.933(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.K45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.14 M 0.11 H 0.09 D 0.09 Q 0.09 R 0.08 K 0.07 W 0.06 E 0.05 F 0.04 Y 0.04 N 0.04 A 0.03 C Shift Assignments>> C :: 176.52 CA :: 55.552(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 :: 8.613(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 :: 121.783(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.17 A 0.13 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> C :: 176.06 CA :: 54.094(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 :: 8.341(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 :: 122.188(D) Ave N Shift Values>> N :: 120.09(3.57) 1.I47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.14 F 0.14 W 0.12 I 0.09 E 0.07 K 0.06 V 0.06 T 0.06 R 0.06 H 0.05 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 176.72 CA :: 59.346(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 :: 8.898(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.849(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 174.5 CA :: 45.409(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.544(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.060(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.57 L 0.23 R 0.11 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.36 CA :: 44.568(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.633(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.654(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.27 T 0.24 P 0.22 I 0.19 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 177.17 CA :: 62.861(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 :: 8.450(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.013(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.11 R 0.02 F 0.01 C Shift Assignments>> C :: 174.55 CA :: 45.176(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.617(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.645(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.58 L 0.23 R 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.69 CA :: 44.586(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.496(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.196(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.13 Y 0.13 W 0.12 E 0.1 K 0.09 R 0.08 H 0.07 Q 0.07 M 0.05 L 0.03 I 0.02 V 0.01 D 0.01 T 0.01 C Shift Assignments>> C :: 175.61 CA :: 57.966(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 :: 8.379(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.911(D) Ave N Shift Values>> N :: 120.45(4.18) 1.I54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.14 Y 0.13 F 0.13 T 0.1 W 0.1 V 0.1 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 175.52 CA :: 59.939(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 :: 9.141(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 :: 119.277(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.11 R 0.1 M 0.1 K 0.09 L 0.08 E 0.08 W 0.07 F 0.06 Y 0.06 D 0.04 N 0.01 A 0.01 C Shift Assignments>> C :: 176.35 CA :: 56.447(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 :: 8.385(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 :: 125.078(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.14 F 0.14 W 0.12 E 0.09 K 0.08 R 0.07 H 0.06 Q 0.06 M 0.05 I 0.03 L 0.03 V 0.02 T 0.02 D 0.01 C Shift Assignments>> C :: 175.99 CA :: 58.353(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.963(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.032(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.14 M 0.11 H 0.09 D 0.09 Q 0.09 R 0.08 K 0.07 W 0.06 E 0.05 F 0.04 Y 0.04 N 0.04 A 0.03 C Shift Assignments>> C :: 175.78 CA :: 55.546(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 :: 8.950(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 :: 119.035(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.Q58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.11 H 0.1 Q 0.09 R 0.08 D 0.08 K 0.07 W 0.06 E 0.06 F 0.04 Y 0.04 N 0.03 A 0.02 C Shift Assignments>> C :: 175.67 CA :: 55.680(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.633(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.685(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.12 E 0.11 F 0.1 K 0.1 Y 0.1 R 0.09 H 0.08 Q 0.08 M 0.06 L 0.04 D 0.02 I 0.01 V 0.01 C Shift Assignments>> C :: 175.55 CA :: 57.482(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.267(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 :: 128.863(D) Ave N Shift Values>> N :: 120.52(4.2) 1.D60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.18 D 0.16 A 0.15 L 0.1 M 0.07 H 0.06 R 0.05 Q 0.05 K 0.04 W 0.03 F 0.02 E 0.02 Y 0.02 C Shift Assignments>> C :: 175.89 CA :: 53.967(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 :: 8.838(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.813(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.11 R 0.1 M 0.1 K 0.09 L 0.08 E 0.08 W 0.07 F 0.06 Y 0.06 D 0.04 N 0.01 A 0.01 C Shift Assignments>> C :: 175.74 CA :: 56.440(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.849(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 :: 114.578(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.15 F 0.14 W 0.12 E 0.08 K 0.07 R 0.06 I 0.06 H 0.05 Q 0.05 V 0.04 T 0.04 M 0.04 L 0.02 C Shift Assignments>> CA :: 58.97 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 :: 8.37 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 :: 124.77 Ave N Shift Values>> N :: 121.46(4.28) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.29 V 0.25 T 0.22 I 0.17 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 176.87 CA :: 63.18 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.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.28 T 0.25 I 0.2 P 0.17 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 176.35 CA :: 62.56 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.38 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.38 Ave N Shift Values>> N :: 121.14(4.54) 1.E65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 L 0.12 M 0.1 N 0.08 H 0.08 Q 0.07 R 0.07 A 0.06 K 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 C Shift Assignments>> C :: 176.39 CA :: 54.841(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 :: 8.65 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.27 Ave N Shift Values>> N :: 120.67(3.48) 1.I66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.23 T 0.17 V 0.17 F 0.09 Y 0.09 W 0.07 E 0.03 P 0.02 R 0.02 K 0.02 H 0.02 Q 0.01 M 0.01 C Shift Assignments>> C :: 176.25 CA :: 60.784(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 :: 9.228(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.600(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.27 N 0.24 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 178.36 CA :: 53.224(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.075(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.235(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 174.07 CA :: 45.337(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.395(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.540(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 L 0.12 M 0.09 N 0.09 H 0.08 Q 0.07 A 0.07 R 0.07 K 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 C Shift Assignments>> C :: 174.62 CA :: 54.794(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.153(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 :: 119.730(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.12 W 0.11 K 0.1 F 0.09 R 0.09 Y 0.09 H 0.08 Q 0.08 M 0.07 L 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 176.09 CA :: 57.397(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 :: 8.819(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 :: 124.813(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.51 A 0.21 N 0.13 D 0.05 L 0.02 M 0.01 H 0.01 C Shift Assignments>> C :: 177.79 CA :: 50.854(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.773(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.517(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.13 Y 0.13 F 0.13 W 0.1 T 0.09 V 0.09 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.03 M 0.02 L 0.01 HN Overlap>> 1.N37 1.N37 C Shift Assignments>> C :: 176.91 CA :: 59.844(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 :: 8.589(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 :: 119.357(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.08 CA :: 46.292(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.504(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.299(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.31 V 0.25 T 0.22 I 0.17 F 0.01 Y 0.01 HN Overlap>> 1.T80 1.T80 C Shift Assignments>> C :: 174.43 CA :: 63.266(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 :: 8.523(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.527(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.2 T 0.14 V 0.14 F 0.1 Y 0.1 W 0.08 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 P 0.01 M 0.01 C Shift Assignments>> C :: 175.84 CA :: 60.438(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.175(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.346(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.25 D 0.12 L 0.06 M 0.05 H 0.03 R 0.03 Q 0.02 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 177.03 CA :: 52.886(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.362(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 :: 124.096(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.13 Y 0.13 F 0.13 W 0.1 T 0.09 V 0.09 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 176.21 CA :: 59.825(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.067(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.444(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.07 C Shift Assignments>> CA :: 45.960(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.219(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.158(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.27 T 0.24 P 0.22 I 0.19 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 177.18 CA :: 62.83 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.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.18 T 0.13 V 0.12 F 0.11 Y 0.11 W 0.09 E 0.04 K 0.03 R 0.03 H 0.03 Q 0.02 M 0.01 P 0.01 HN Overlap>> 1.T74 1.T74 C Shift Assignments>> CA :: 60.26 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 :: 8.52 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.6 Ave N Shift Values>> N :: 115.42(4.75) 1.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.29 V 0.25 T 0.22 I 0.17 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 176.87 CA :: 63.18 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.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.27 T 0.26 I 0.21 P 0.14 F 0.02 Y 0.02 W 0.01 HN Overlap>> 1.T4 1.T4 C Shift Assignments>> C :: 175.92 CA :: 62.38 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.4 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.83 Ave N Shift Values>> N :: 121.14(4.54) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.24 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 174.94 CA :: 53.06 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 :: 8.62 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.9 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 T 0.21 V 0.19 F 0.06 Y 0.06 W 0.05 P 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 176.35 CA :: 61.18 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 :: 8.33 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.41 Ave N Shift Values>> N :: 121.46(4.28) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 T 0.22 V 0.21 P 0.06 F 0.05 Y 0.05 W 0.04 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 176.97 CA :: 61.48 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 :: 8.36 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.89 Ave N Shift Values>> N :: 121.46(4.28) 1.G86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.3 G 0.08 D 0.06 F 0.05 K 0.03 Y 0.03 C Shift Assignments>> C :: 174.17 CA :: 43.420(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.63 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.42 Ave N Shift Values>> N :: 109.67(3.87) 1.R87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.14 F 0.13 I 0.12 W 0.11 T 0.08 V 0.08 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 176.09 CA :: 59.692(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 :: 8.980(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.514(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.N88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.11 R 0.11 Q 0.1 H 0.1 E 0.09 W 0.09 M 0.08 F 0.07 Y 0.07 L 0.06 D 0.03 C Shift Assignments>> C :: 175.31 CA :: 56.891(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 :: 8.222(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.191(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.11 Q 0.11 R 0.1 K 0.09 L 0.09 E 0.07 W 0.07 F 0.06 Y 0.05 D 0.05 N 0.01 A 0.01 C Shift Assignments>> C :: 177.65 CA :: 56.290(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.329(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.121(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.13 F 0.12 Y 0.12 E 0.11 K 0.09 R 0.08 H 0.07 Q 0.07 M 0.06 L 0.04 I 0.02 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 177.72 CA :: 57.793(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.803(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 :: 117.804(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.3 P 0.26 T 0.23 I 0.17 C Shift Assignments>> C :: 174.34 CA :: 64.616(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 :: 8.271(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.887(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.11 K 0.11 R 0.1 W 0.1 Q 0.09 H 0.09 F 0.08 Y 0.08 M 0.07 L 0.05 D 0.02 I 0.01 HN Overlap>> 1.W42 1.W42 C Shift Assignments>> C :: 175.78 CA :: 57.168(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.427(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.191(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 T 0.21 V 0.2 F 0.06 Y 0.06 P 0.05 W 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 176.89 CA :: 61.251(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 :: 7.290(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 :: 113.816(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.08 C Shift Assignments>> C :: 172.9 CA :: 45.708(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.807(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.710(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.25 A 0.22 D 0.14 L 0.08 M 0.06 H 0.04 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> CA :: 53.451(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.591(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.940(D) Ave N Shift Values>> N :: 123.23(3.54) ########################################################################### Overall Results: #Consistent: 19 #Clerical: 76 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 95 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 95 #Suspicious: 0 C Shift Results: #Consistent: 107 #Duplicate: 76 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 18 #Duplicate: 70 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 18 #Duplicate: 70 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P9 CA = 63.602(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.5798e-01 1.L10 CA = 54.267(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.2529e-01 1.L10 H = 7.577(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.1508e-01 1.L10 N = 120.817(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8913e-01 1.V11 CA = 59.497(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.9533e-01 1.V11 H = 9.121(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.1486e-01 1.V11 N = 118.875(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.1785e-01 1.T12 CA = 62.297(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.7628e-01 1.T12 H = 8.202(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.5113e-01 1.T12 N = 116.946(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.4801e-01 1.I13 CA = 58.059(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.8517e-01 1.I13 H = 9.244(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.5629e-01 1.I13 N = 121.442(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.9664e-01 1.R14 CA = 54.650(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.5875e-01 1.R14 H = 8.793(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.6464e-01 1.R14 N = 122.848(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.7785e-01 1.I15 CA = 59.424(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.1469e-01 1.I15 H = 8.892(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.6812e-01 1.I15 N = 124.953(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.1443e-01 1.G16 CA = 47.053(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.0377e-01 1.G16 H = 9.635(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.4676e-02 1.G16 N = 118.359(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.4754e-02 1.G17 CA = 45.246(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3814e-01 1.G17 H = 8.747(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.2117e-01 1.G17 N = 105.873(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.2653e-01 1.Q18 CA = 54.439(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.1935e-01 1.Q18 H = 7.997(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.0546e-01 1.Q18 N = 119.864(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.9424e-01 1.L19 CA = 54.341(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.4819e-01 1.L19 H = 8.416(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.7476e-01 1.L19 N = 123.617(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.5234e-01 1.K20 CA = 53.525(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1951e-01 1.K20 H = 8.989(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.8297e-01 1.K20 N = 123.446(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.2507e-01 1.E21 CA = 55.354(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.4687e-01 1.E21 H = 8.552(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.0672e-01 1.E21 N = 119.919(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.2914e-01 1.A22 CA = 50.988(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.7709e-01 1.A22 H = 9.257(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8126e-02 1.A22 N = 124.786(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.6026e-01 1.L23 CA = 53.779(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.8741e-01 1.L23 H = 8.611(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.5777e-01 1.L23 N = 120.201(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.7056e-01 1.L24 CA = 54.642(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.4612e-01 1.L24 H = 8.517(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5882e-01 1.L24 N = 122.212(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.2808e-01 1.T26 CA = 63.627(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.8696e-01 1.G27 CA = 45.210(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1679e-01 1.G27 H = 8.287(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.4726e-01 1.G27 N = 108.023(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.7041e-01 1.A28 CA = 50.937(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.6587e-01 1.A28 H = 7.348(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.5561e-01 1.A28 N = 123.103(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.7138e-01 1.D29 CA = 57.468(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.7116e-01 1.D29 H = 8.665(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.4049e-01 1.D29 N = 121.169(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.9304e-01 1.D30 CA = 54.121(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.7925e-01 1.D30 H = 7.580(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.0817e-01 1.D30 N = 116.170(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.4580e-01 1.T31 CA = 63.113(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.3025e-01 1.T31 H = 8.730(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.2934e-01 1.T31 N = 119.944(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.4088e-01 1.V32 CA = 60.215(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.2635e-01 1.V32 H = 8.705(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.3565e-01 1.V32 N = 128.016(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.2989e-01 1.L33 CA = 52.254(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.1404e-01 1.L33 H = 9.231(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.2356e-01 1.L33 N = 126.210(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.6469e-01 1.E34 CA = 55.158(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.0093e-01 1.E34 H = 8.039(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.2186e-01 1.E34 N = 115.954(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.7536e-01 1.E35 CA = 58.410(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.0200e-01 1.E35 H = 7.334(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.1385e-02 1.E35 N = 115.897(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.7020e-01 1.M36 CA = 54.680(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.2136e-01 1.M36 H = 6.965(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.0902e-02 1.M36 N = 120.048(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.9061e-01 1.N37 CA = 52.633(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.2949e-01 1.N37 H = 8.654(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.1819e-01 1.N37 N = 119.415(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.0421e-01 1.L38 CA = 60.001(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.9705e-02 1.L38 H = 7.321(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.6197e-01 1.L38 N = 124.481(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.0155e-01 1.P39 CA = 62.750(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.0277e-01 1.G40 CA = 44.404(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.8021e-01 1.G40 H = 8.292(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.5338e-01 1.G40 N = 106.220(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.7268e-01 1.K41 CA = 56.363(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.8961e-01 1.K41 H = 8.348(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.9229e-01 1.K41 N = 119.345(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.5109e-01 1.W42 CA = 53.950(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.5044e-01 1.W42 H = 7.347(D), Expected = 8.29, Std = 0.7900, ChiSquare = 2.3261e-01 1.W42 N = 118.263(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.1366e-01 1.K43 CA = 52.996(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.2292e-02 1.K43 H = 8.436(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.8181e-01 1.K43 N = 118.246(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.5702e-01 1.P44 CA = 62.933(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.9395e-01 1.K45 CA = 55.552(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.2513e-01 1.K45 H = 8.613(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.8081e-01 1.K45 N = 121.783(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.4584e-01 1.M46 CA = 54.094(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.6598e-01 1.M46 H = 8.341(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.9261e-01 1.M46 N = 122.188(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.5675e-01 1.I47 CA = 59.346(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.9824e-01 1.I47 H = 8.898(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.6344e-01 1.I47 N = 118.849(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.4183e-01 1.G48 CA = 45.409(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6488e-01 1.G48 H = 8.544(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4198e-01 1.G48 N = 110.060(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.1973e-01 1.G49 CA = 44.568(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.5950e-01 1.G49 H = 7.633(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.8358e-01 1.G49 N = 110.654(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.9929e-01 1.I50 CA = 62.861(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.4065e-01 1.I50 H = 8.450(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.0259e-01 1.I50 N = 122.013(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.9720e-01 1.G51 CA = 45.176(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.9668e-01 1.G51 H = 8.617(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.5882e-01 1.G51 N = 112.645(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.4205e-01 1.G52 CA = 44.586(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.6858e-01 1.G52 H = 7.496(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.9946e-01 1.G52 N = 108.196(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.0329e-01 1.F53 CA = 57.966(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.6462e-01 1.F53 H = 8.379(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.7895e-01 1.F53 N = 119.911(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.9740e-01 1.I54 CA = 59.939(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.3295e-01 1.I54 H = 9.141(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.0545e-01 1.I54 N = 119.277(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.1002e-01 1.K55 CA = 56.447(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.1915e-01 1.K55 H = 8.385(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.4518e-01 1.K55 N = 125.078(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.8532e-01 1.V56 CA = 58.353(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4804e-01 1.V56 H = 8.963(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.1515e-01 1.V56 N = 117.032(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.6555e-01 1.R57 CA = 55.546(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.9620e-01 1.R57 H = 8.950(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.4445e-01 1.R57 N = 119.035(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.3150e-01 1.Q58 CA = 55.680(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.7749e-01 1.Q58 H = 9.633(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.6624e-02 1.Q58 N = 123.685(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.9181e-01 1.Y59 CA = 57.482(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.9628e-01 1.Y59 H = 9.267(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.9454e-01 1.Y59 N = 128.863(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.6986e-02 1.D60 CA = 53.967(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.2172e-01 1.D60 H = 8.838(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.6264e-01 1.D60 N = 120.813(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.6632e-01 1.Q61 CA = 56.440(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.5156e-01 1.Q61 H = 8.849(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.8638e-01 1.Q61 N = 114.578(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.4006e-01 1.E65 CA = 54.841(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.3557e-01 1.I66 CA = 60.784(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.5792e-01 1.I66 H = 9.228(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.6328e-01 1.I66 N = 126.600(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.2978e-01 1.A67 CA = 53.224(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.6616e-01 1.A67 H = 9.075(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.4475e-01 1.A67 N = 131.235(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.3741e-02 1.G68 CA = 45.337(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.9226e-01 1.G68 H = 8.395(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2034e-01 1.G68 N = 102.540(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.5420e-02 1.H69 CA = 54.794(D), Expected = 56.52, Std = 2.3100, ChiSquare = 4.5495e-01 1.H69 H = 8.153(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.9820e-01 1.H69 N = 119.730(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.9202e-01 1.K70 CA = 57.397(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.3899e-01 1.K70 H = 8.819(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.9449e-01 1.K70 N = 124.813(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.1821e-01 1.A71 CA = 50.854(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.4828e-01 1.A71 H = 8.773(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.3958e-01 1.A71 N = 126.517(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.5313e-01 1.I72 CA = 59.844(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.0992e-01 1.I72 H = 8.589(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.4953e-01 1.I72 N = 119.357(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.2318e-01 1.G73 CA = 46.292(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.8207e-01 1.G73 H = 8.504(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.8894e-01 1.G73 N = 113.299(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.4839e-01 1.T74 CA = 63.266(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.8631e-01 1.T74 H = 8.523(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.4807e-01 1.T74 N = 118.527(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.1304e-01 1.V75 CA = 60.438(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.7308e-01 1.V75 H = 9.175(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.8654e-01 1.V75 N = 123.346(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.2704e-01 1.L76 CA = 52.886(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9929e-01 1.L76 H = 8.362(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.3907e-01 1.L76 N = 124.096(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.6642e-01 1.V77 CA = 59.825(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.5143e-01 1.V77 H = 9.067(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.4617e-01 1.V77 N = 120.444(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.7816e-01 1.G78 CA = 45.960(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.4895e-01 1.G78 H = 9.219(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.7141e-01 1.G78 N = 114.158(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.4617e-01 1.G86 CA = 43.420(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.4978e-01 1.R87 CA = 59.692(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.0589e-01 1.R87 H = 8.980(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.2509e-01 1.R87 N = 116.514(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.4415e-01 1.N88 CA = 56.891(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.4677e-02 1.N88 H = 8.222(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.5142e-01 1.N88 N = 116.191(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.9672e-01 1.L89 CA = 56.290(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.5310e-01 1.L89 H = 7.329(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.6570e-01 1.L89 N = 118.121(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.3770e-01 1.L90 CA = 57.793(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.0764e-01 1.L90 H = 7.803(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.1123e-01 1.L90 N = 117.804(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.9834e-01 1.T91 CA = 64.616(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.5492e-01 1.T91 H = 8.271(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.6012e-01 1.T91 N = 110.887(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.3992e-01 1.Q92 CA = 57.168(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.7991e-01 1.Q92 H = 7.427(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.7893e-01 1.Q92 N = 118.191(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.3697e-01 1.I93 CA = 61.251(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.9344e-01 1.I93 H = 7.290(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.4542e-01 1.I93 N = 113.816(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.4102e-02 1.G94 CA = 45.708(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.8934e-01 1.G94 H = 7.807(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.2104e-01 1.G94 N = 110.710(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.8813e-01 1.A95 CA = 53.451(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.7519e-01 1.A95 H = 7.591(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.1011e-01 1.A95 N = 128.940(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.0675e-01