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 0.26 V 0.24 I 0.24 P 0.11 F 0.03 Y 0.03 W 0.02 C Shift Assignments>> CA :: 62.055 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: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent 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>> CA :: 55.557(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 :: 8.54 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 :: 120.356 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.21 T 0.16 V 0.15 F 0.1 Y 0.1 W 0.07 E 0.03 R 0.03 K 0.03 H 0.02 P 0.02 Q 0.01 M 0.01 C Shift Assignments>> CA :: 60.596(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 :: 9.424(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 :: 127.87(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.23 T 0.18 V 0.17 F 0.09 Y 0.08 W 0.06 E 0.03 P 0.02 R 0.02 K 0.02 H 0.02 Q 0.01 M 0.01 C Shift Assignments>> CA :: 60.789(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 :: 8.343(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 :: 115.499(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.17 D 0.16 A 0.14 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 :: 54.065(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 :: 9.155(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 :: 116.841(D) 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>> Y 0.15 F 0.14 W 0.12 E 0.08 I 0.08 K 0.06 R 0.06 H 0.05 V 0.05 T 0.05 Q 0.04 M 0.03 L 0.02 C Shift Assignments>> CA :: 59.169 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 :: 7.331 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 :: 120.866 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent 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 HN Overlap>> 1.E35 1.E35 C Shift Assignments>> CA :: 53.542(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 :: 7.48 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.278 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R8 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>> CA :: 56.275(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 :: 8.758(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 :: 120.508(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.P9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.28 T 0.24 V 0.22 P 0.08 F 0.04 Y 0.04 W 0.03 E 0.01 C Shift Assignments>> CA :: 61.699(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.I10 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 0.08 I 0.08 K 0.06 R 0.06 V 0.05 H 0.05 T 0.05 Q 0.04 M 0.03 L 0.02 C Shift Assignments>> CA :: 59.196(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 :: 7.579(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 :: 127.05(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.15 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>> CA :: 58.42(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 :: 9.178(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 :: 120.051(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>> V 0.27 T 0.24 P 0.2 I 0.19 F 0.02 Y 0.01 W 0.01 C Shift Assignments>> CA :: 62.742(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 :: 8.529(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 :: 116.299(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 0.06 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> CA :: 58.077(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 :: 9.283(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 :: 120.627(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent 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>> CA :: 54.626 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 :: 8.606 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.591 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: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.14 F 0.14 W 0.12 I 0.08 E 0.08 K 0.06 R 0.06 V 0.05 T 0.05 H 0.05 Q 0.04 M 0.03 L 0.02 C Shift Assignments>> CA :: 59.211 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 :: 8.931(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 :: 124.869(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.928 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.745(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.241(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.14 R 0.03 F 0.01 C Shift Assignments>> CA :: 45.042(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.778 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.431 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 0.13 A 0.11 L 0.11 M 0.08 H 0.07 Q 0.06 R 0.05 K 0.04 W 0.04 E 0.03 F 0.02 Y 0.02 HN Overlap>> 1.E34 1.E34 C Shift Assignments>> CA :: 54.323(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 :: 8.003(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 :: 120.034(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 N 0.15 A 0.12 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 :: 54.201 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 :: 8.472 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 :: 123.573 Ave N Shift Values>> N :: 121.86(3.9) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent 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>> CA :: 54.114 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 :: 9.011 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 :: 123.538 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: Consistent N Shifts: Consistent 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>> CA :: 55.145(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 :: 8.603 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 :: 119.644 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 0.49 A 0.22 N 0.13 D 0.05 L 0.02 M 0.01 H 0.01 C Shift Assignments>> CA :: 50.878(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.275(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.792(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>> A 0.26 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.I50 1.I50 C Shift Assignments>> CA :: 53.287(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 :: 8.887(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 :: 121.366(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>> 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>> CA :: 55.559(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 :: 8.424(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 :: 124.792(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D25 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 R 0.02 P 0.02 Q 0.02 W 0.01 K 0.01 F 0.01 Y 0.01 C Shift Assignments>> CA :: 52.257(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 :: 8.752(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 :: 128.704(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.36 T 0.25 P 0.18 I 0.18 C Shift Assignments>> CA :: 65.526(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 :: 8.200(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 :: 111.009(D) 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 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.13(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.912(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.958(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 0.76 A 0.11 N 0.06 D 0.02 C Shift Assignments>> CA :: 50.08(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.521(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.297(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>> W 0.13 F 0.11 E 0.11 Y 0.11 K 0.09 R 0.09 H 0.08 Q 0.07 M 0.06 L 0.04 I 0.01 D 0.01 V 0.01 T 0.01 C Shift Assignments>> CA :: 57.678(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 :: 8.647(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.927(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>> 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>> CA :: 52.84(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 :: 7.622(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.929(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 0.26 V 0.26 T 0.23 I 0.18 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> CA :: 63.041(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 :: 8.322(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 :: 117.328(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 0.18 T 0.13 V 0.13 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 C Shift Assignments>> CA :: 60.304(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 :: 8.287(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 :: 127.947(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.11 R 0.11 E 0.1 Q 0.1 H 0.1 W 0.09 M 0.08 F 0.08 Y 0.07 L 0.06 D 0.03 I 0.01 C Shift Assignments>> CA :: 56.984(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 :: 9.232(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 :: 125.658(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E34 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.Q18 1.Q18 C Shift Assignments>> CA :: 55.363(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 :: 8.094(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 :: 119.974(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 0.1 K 0.08 R 0.08 H 0.07 Q 0.06 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> 1.K7 1.K7 C Shift Assignments>> CA :: 58.163(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 :: 7.526(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 :: 115.33(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 H 0.07 A 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>> CA :: 54.707(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 :: 7.021(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 :: 120.47(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 0.03 Q 0.02 W 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 52.667(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 :: 8.649(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 :: 118.911(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>> A 0.34 N 0.24 D 0.1 P 0.07 L 0.05 M 0.03 H 0.02 R 0.02 Q 0.01 W 0.01 K 0.01 F 0.01 C Shift Assignments>> CA :: 51.864(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 :: 7.294(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 :: 124.692(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.27 T 0.25 I 0.2 P 0.19 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> CA :: 62.675 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 0.41 L 0.28 R 0.19 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> CA :: 44.282(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.379(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.257(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>> M 0.12 H 0.11 Q 0.1 R 0.1 L 0.09 K 0.09 E 0.07 W 0.07 F 0.05 D 0.05 Y 0.05 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.225(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 :: 8.40(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 :: 119.198(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 0.2 A 0.16 D 0.16 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 0.02 C Shift Assignments>> CA :: 53.852(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 :: 7.408(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 :: 118.552(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 0.31 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>> CA :: 52.884(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 :: 8.445(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 :: 118.085(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>> P 0.28 V 0.25 T 0.22 I 0.17 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> CA :: 63.166(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 Q 0.09 D 0.09 R 0.08 K 0.07 W 0.06 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 C Shift Assignments>> CA :: 55.635(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 :: 8.587(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 :: 122.725(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>> N 0.22 A 0.18 D 0.15 L 0.09 M 0.06 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>> CA :: 53.733(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 :: 8.516(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 :: 124.157(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 0.08 E 0.07 K 0.06 R 0.06 V 0.06 T 0.05 H 0.05 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> CA :: 59.288(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 :: 8.936(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 :: 118.661(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V48 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>> CA :: 61.325(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 :: 8.126(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 :: 121.041(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.39 L 0.31 G 0.11 D 0.05 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> CA :: 43.586(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.657(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.97(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.3 V 0.25 T 0.22 I 0.17 F 0.01 Y 0.01 HN Overlap>> 1.L23 1.L23 C Shift Assignments>> CA :: 63.255 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 :: 8.788 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 :: 121.419 Ave N Shift Values>> N :: 121.46(4.28) 1.G51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.064 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.744 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>> L 0.31 R 0.29 G 0.25 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> CA :: 43.976(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.101(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.876(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>> E 0.12 W 0.11 K 0.1 R 0.09 F 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>> CA :: 57.38(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 :: 8.202(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.974(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.33 A 0.28 N 0.18 D 0.07 L 0.03 M 0.02 H 0.01 R 0.01 W 0.01 Q 0.01 C Shift Assignments>> CA :: 51.184(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.24(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.411(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 M 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>> CA :: 56.329(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 :: 8.548(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 :: 123.689(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 0.1 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>> CA :: 58.343(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 :: 8.947(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 :: 116.902(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 0.13 M 0.11 H 0.1 Q 0.09 R 0.09 D 0.08 K 0.08 W 0.06 E 0.06 F 0.04 Y 0.04 N 0.03 A 0.02 C Shift Assignments>> CA :: 55.712(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 :: 8.867(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 :: 119.088(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>> M 0.12 L 0.11 H 0.1 Q 0.1 R 0.09 K 0.08 D 0.06 E 0.06 W 0.06 F 0.05 Y 0.05 N 0.02 A 0.02 C Shift Assignments>> CA :: 55.975(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 :: 9.695(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 :: 123.73(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>> E 0.12 W 0.11 K 0.1 R 0.09 F 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>> CA :: 57.349(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 :: 9.211(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 :: 129.192(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 0.21 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 0.02 C Shift Assignments>> CA :: 53.799(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 :: 8.904(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 :: 121.081(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>> M 0.11 H 0.11 Q 0.11 R 0.1 L 0.09 K 0.09 E 0.07 W 0.07 F 0.05 Y 0.05 D 0.05 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.266(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 :: 8.957(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 :: 114.158(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.14 L 0.13 M 0.1 H 0.08 Q 0.08 R 0.07 N 0.06 K 0.06 A 0.05 W 0.05 E 0.04 F 0.04 Y 0.03 C Shift Assignments>> CA :: 55.075(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 :: 8.715(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 :: 122.451(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.26 T 0.25 V 0.23 P 0.09 F 0.03 Y 0.03 W 0.02 C Shift Assignments>> CA :: 61.878(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.I64 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 0.11 V 0.07 T 0.07 E 0.07 K 0.05 R 0.05 H 0.04 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> CA :: 59.544(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 :: 8.829(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 :: 123.274(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate 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 :: 54.173(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 :: 8.297(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 :: 125.499(D) 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 0.19 T 0.13 V 0.13 F 0.11 Y 0.11 W 0.09 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 P 0.01 C Shift Assignments>> CA :: 60.329(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 :: 9.171(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 :: 125.037(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent 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>> CA :: 53.248 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.036 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.135 Ave N Shift Values>> N :: 123.23(3.54) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> CA :: 45.404 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.669 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.01 Ave N Shift Values>> N :: 109.67(3.87) 1.H69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent 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>> CA :: 54.447 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 :: 8.298 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 :: 119.359 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent 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>> CA :: 57.803 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 :: 9.00 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 :: 125.467 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: Consistent N Shifts: Consistent PRTL>> P 0.5 A 0.21 N 0.13 D 0.05 L 0.02 M 0.01 H 0.01 C Shift Assignments>> CA :: 50.872(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.809 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.57 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 0.16 Y 0.12 F 0.12 T 0.11 V 0.11 W 0.1 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> CA :: 60.045(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 :: 8.518(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 :: 119.314(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 0.91 L 0.07 C Shift Assignments>> CA :: 46.036(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.459(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.443(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 0.21 I 0.16 F 0.01 Y 0.01 C Shift Assignments>> CA :: 63.527(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 :: 8.741(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 :: 118.68(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 0.27 T 0.22 V 0.2 F 0.05 P 0.05 Y 0.05 W 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> CA :: 61.377(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 :: 9.265(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 :: 126.965(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 0.33 N 0.25 D 0.12 L 0.06 M 0.04 H 0.03 R 0.02 Q 0.02 W 0.01 K 0.01 P 0.01 F 0.01 Y 0.01 C Shift Assignments>> CA :: 52.435(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 :: 8.205(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 :: 125.138(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 0.14 Y 0.13 F 0.13 W 0.1 T 0.1 V 0.09 E 0.06 K 0.05 R 0.04 H 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.879(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 :: 9.31(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 :: 121.624(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 0.88 L 0.08 C Shift Assignments>> CA :: 45.508(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.81(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.866(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.27 T 0.24 P 0.23 I 0.19 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> CA :: 62.899(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.T80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.11 Q 0.11 K 0.1 H 0.1 E 0.09 M 0.09 W 0.08 F 0.07 L 0.07 Y 0.06 D 0.03 N 0.01 C Shift Assignments>> CA :: 56.745(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 :: 8.015(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 :: 118.678(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.28 V 0.25 T 0.22 I 0.17 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> CA :: 63.133(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.A82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.36 A 0.27 N 0.17 D 0.06 L 0.03 M 0.02 H 0.01 R 0.01 C Shift Assignments>> CA :: 51.129(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.355(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.599(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 A 0.2 D 0.14 L 0.08 M 0.06 H 0.05 R 0.04 Q 0.04 K 0.03 W 0.02 F 0.02 E 0.01 Y 0.01 C Shift Assignments>> CA :: 53.6(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 :: 8.787(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 :: 121.216(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I84 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 0.11 V 0.07 T 0.07 E 0.07 K 0.05 R 0.05 H 0.04 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> CA :: 59.547(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 :: 9.513(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 :: 120.742(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I85 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>> CA :: 57.8(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 :: 8.773(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 :: 122.001(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate 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>> CA :: 43.414(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.143(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.866(D) 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>> 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>> CA :: 61.299(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 :: 9.366(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 :: 116.691(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 E 0.1 Q 0.1 H 0.1 W 0.09 M 0.08 F 0.07 Y 0.07 L 0.06 D 0.03 C Shift Assignments>> CA :: 56.97(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 :: 7.98(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 :: 115.736(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>> L 0.13 D 0.12 M 0.11 H 0.09 Q 0.08 R 0.08 K 0.06 N 0.05 W 0.05 E 0.05 A 0.04 F 0.04 Y 0.03 C Shift Assignments>> CA :: 55.238(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 :: 6.919(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 :: 116.587(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 0.12 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>> CA :: 57.84(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 :: 8.27(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 :: 120.218(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>> P 0.31 V 0.25 T 0.21 I 0.16 F 0.01 Y 0.01 C Shift Assignments>> CA :: 63.524(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.842(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.194(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.12 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>> CA :: 57.818(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 :: 6.692 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 :: 120.072 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 0.19 T 0.14 V 0.14 F 0.11 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>> CA :: 60.418(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 :: 6.928(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 :: 108.678(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> CA :: 45.95(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.217 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.167 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>> A 0.31 P 0.22 N 0.21 D 0.08 L 0.03 M 0.02 H 0.02 R 0.01 Q 0.01 W 0.01 C Shift Assignments>> CA :: 51.417(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.457(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.38(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent 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>> CA :: 59.423(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 :: 9.024 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.009 Ave N Shift Values>> N :: 115.42(4.75) 1.L97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.26 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 E 0.01 Y 0.01 C Shift Assignments>> CA :: 53.296(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 :: 8.556(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 :: 121.148(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent 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 W 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 52.8(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 :: 8.917 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 :: 121.503 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.15 F 0.14 W 0.12 E 0.08 K 0.07 R 0.07 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 :: 58.947(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 :: 8.027(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 :: 122.22(D) Ave N Shift Values>> N :: 120.45(4.18) 2.0171 Overall Status: Residue type 017 not supported. ########################################################################### Overall Results: #Consistent: 12 #Clerical: 87 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 98 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 99 #Suspicious: 0 C Shift Results: #Consistent: 13 #Duplicate: 85 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 19 #Duplicate: 73 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 19 #Duplicate: 73 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q2 CA = 55.557(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.3595e-01 1.I3 CA = 60.596(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.0516e-01 1.I3 H = 9.424(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.2500e-02 1.I3 N = 127.87(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.3422e-01 1.T4 CA = 60.789(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.8060e-01 1.T4 H = 8.343(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.6806e-01 1.T4 N = 115.499(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.8673e-01 1.L5 CA = 54.065(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.6536e-01 1.L5 H = 9.155(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.5471e-01 1.L5 N = 116.841(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.9812e-01 1.K7 CA = 53.542(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.2136e-01 1.R8 CA = 56.275(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.3032e-01 1.R8 H = 8.758(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.9578e-01 1.R8 N = 120.508(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.3676e-01 1.P9 CA = 61.699(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.8326e-01 1.I10 CA = 59.196(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.6772e-01 1.I10 H = 7.579(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.0260e-01 1.I10 N = 127.05(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.9153e-01 1.V11 CA = 58.42(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5471e-01 1.V11 H = 9.178(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.8505e-01 1.V11 N = 120.051(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.1043e-01 1.T12 CA = 62.742(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.4027e-01 1.T12 H = 8.529(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.4112e-01 1.T12 N = 116.299(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.5319e-01 1.I13 CA = 58.077(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.8741e-01 1.I13 H = 9.283(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.4021e-01 1.I13 N = 120.627(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.4569e-01 1.I15 H = 8.931(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.3839e-01 1.I15 N = 124.869(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.2574e-01 1.G16 H = 9.745(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.9486e-02 1.G16 N = 118.241(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.6779e-02 1.G17 CA = 45.042(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.1821e-01 1.Q18 CA = 54.323(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.9372e-01 1.Q18 H = 8.003(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.1302e-01 1.Q18 N = 120.034(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.6809e-01 1.E21 CA = 55.145(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.9803e-01 1.A22 CA = 50.878(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.5328e-01 1.A22 H = 9.275(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.3187e-02 1.A22 N = 123.792(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.7386e-01 1.L23 CA = 53.287(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7338e-01 1.L23 H = 8.887(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.1213e-01 1.L23 N = 121.366(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.9920e-01 1.L24 CA = 55.559(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.7715e-01 1.L24 H = 8.424(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.6535e-01 1.L24 N = 124.792(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.5217e-01 1.D25 CA = 52.257(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.3071e-01 1.D25 H = 8.752(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.4602e-01 1.D25 N = 128.704(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.6931e-02 1.T26 CA = 65.526(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.0180e-01 1.T26 H = 8.200(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.4856e-01 1.T26 N = 111.009(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.5308e-01 1.G27 CA = 45.13(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.6959e-01 1.G27 H = 7.912(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.2017e-01 1.G27 N = 108.958(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5403e-01 1.A28 CA = 50.08(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.2224e-01 1.A28 H = 7.521(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.5777e-01 1.A28 N = 126.297(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.8628e-01 1.D29 CA = 57.678(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.4104e-01 1.D29 H = 8.647(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.6122e-01 1.D29 N = 125.927(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.7159e-01 1.D30 CA = 52.84(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.6212e-01 1.D30 H = 7.622(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.3554e-01 1.D30 N = 115.929(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.2131e-01 1.T31 CA = 63.041(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.5125e-01 1.T31 H = 8.322(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.9478e-01 1.T31 N = 117.328(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.8792e-01 1.V32 CA = 60.304(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.4467e-01 1.V32 H = 8.287(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.9643e-01 1.V32 N = 127.947(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.3379e-01 1.I33 CA = 56.984(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.4326e-02 1.I33 H = 9.232(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.6151e-01 1.I33 N = 125.658(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.2667e-01 1.E34 CA = 55.363(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.4909e-01 1.E34 H = 8.094(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.8916e-01 1.E34 N = 119.974(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.4148e-01 1.E35 CA = 58.163(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.8669e-01 1.E35 H = 7.526(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.7297e-01 1.E35 N = 115.33(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.2491e-01 1.M36 CA = 54.707(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.2925e-01 1.M36 H = 7.021(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.8923e-02 1.M36 N = 120.47(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.1523e-01 1.N37 CA = 52.667(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.4239e-01 1.N37 H = 8.649(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.2380e-01 1.N37 N = 118.911(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.9624e-01 1.L38 CA = 51.864(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.7836e-02 1.L38 H = 7.294(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.4987e-01 1.L38 N = 124.692(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.6774e-01 1.G40 CA = 44.282(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.2544e-01 1.G40 H = 8.379(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3991e-01 1.G40 N = 106.257(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.7782e-01 1.K41 CA = 56.225(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.4174e-01 1.K41 H = 8.40(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.2634e-01 1.K41 N = 119.198(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.2325e-01 1.W42 CA = 53.852(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.3995e-01 1.W42 H = 7.408(D), Expected = 8.29, Std = 0.7900, ChiSquare = 2.6423e-01 1.W42 N = 118.552(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.5426e-01 1.K43 CA = 52.884(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.4576e-02 1.K43 H = 8.445(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.7084e-01 1.K43 N = 118.085(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.3159e-01 1.P44 CA = 63.166(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.1408e-01 1.K45 CA = 55.635(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.5002e-01 1.K45 H = 8.587(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.0818e-01 1.K45 N = 122.725(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.5683e-01 1.M46 CA = 53.733(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.8646e-01 1.M46 H = 8.516(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.6962e-01 1.M46 N = 124.157(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.5461e-01 1.I47 CA = 59.288(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.8626e-01 1.I47 H = 8.936(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.3469e-01 1.I47 N = 118.661(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.1313e-01 1.V48 CA = 61.325(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.8376e-01 1.V48 H = 8.126(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.0663e-01 1.V48 N = 121.041(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.8260e-01 1.G49 CA = 43.586(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.8803e-01 1.G49 H = 7.657(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.0049e-01 1.G49 N = 108.97(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5646e-01 1.G52 CA = 43.976(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.0519e-01 1.G52 H = 7.101(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.8655e-02 1.G52 N = 106.876(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.7032e-01 1.F53 CA = 57.38(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.8533e-01 1.F53 H = 8.202(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.2630e-01 1.F53 N = 118.974(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.2401e-01 1.A54 CA = 51.184(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.2321e-01 1.A54 H = 9.24(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.3037e-02 1.A54 N = 122.411(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.1704e-01 1.K55 CA = 56.329(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.7773e-01 1.K55 H = 8.548(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.5073e-01 1.K55 N = 123.689(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.8393e-01 1.V56 CA = 58.343(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4706e-01 1.V56 H = 8.947(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.2679e-01 1.V56 N = 116.902(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.5057e-01 1.R57 CA = 55.712(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.4695e-01 1.R57 H = 8.867(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.0401e-01 1.R57 N = 119.088(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.4178e-01 1.Q58 CA = 55.975(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.8098e-01 1.Q58 H = 9.695(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.2419e-02 1.Q58 N = 123.73(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.8612e-01 1.Y59 CA = 57.349(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.5568e-01 1.Y59 H = 9.211(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.2226e-01 1.Y59 N = 129.192(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.8946e-02 1.D60 CA = 53.799(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.6072e-01 1.D60 H = 8.904(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.0577e-01 1.D60 N = 121.081(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.1109e-01 1.Q61 CA = 56.266(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.8704e-01 1.Q61 H = 8.957(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.1161e-01 1.Q61 N = 114.158(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.1133e-01 1.I62 CA = 55.075(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.4751e-02 1.I62 H = 8.715(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.2236e-01 1.I62 N = 122.451(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.1689e-01 1.P63 CA = 61.878(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.3944e-01 1.I64 CA = 59.544(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.4077e-01 1.I64 H = 8.829(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.1946e-01 1.I64 N = 123.274(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.7169e-01 1.E65 CA = 54.173(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.3213e-01 1.E65 H = 8.297(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.5540e-01 1.E65 N = 125.499(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.6525e-01 1.I66 CA = 60.329(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.3266e-01 1.I66 H = 9.171(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.9010e-01 1.I66 N = 125.037(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.0330e-01 1.A71 CA = 50.872(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.5202e-01 1.I72 CA = 60.045(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.5925e-01 1.I72 H = 8.518(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.2634e-01 1.I72 N = 119.314(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.1609e-01 1.G73 CA = 46.036(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.0869e-01 1.G73 H = 8.459(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4268e-01 1.G73 N = 112.443(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.7366e-01 1.T74 CA = 63.527(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.1382e-01 1.T74 H = 8.741(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.1905e-01 1.T74 N = 118.68(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.9251e-01 1.V75 CA = 61.377(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.9716e-01 1.V75 H = 9.265(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.4561e-01 1.V75 N = 126.965(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.9948e-01 1.L76 CA = 52.435(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.3483e-01 1.L76 H = 8.205(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6932e-01 1.L76 N = 125.138(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.0062e-01 1.V77 CA = 59.879(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.6128e-01 1.V77 H = 9.31(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.2791e-01 1.V77 N = 121.624(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.1510e-01 1.G78 CA = 45.508(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.0614e-01 1.G78 H = 8.81(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.6023e-01 1.G78 N = 113.866(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.7826e-01 1.P79 CA = 62.899(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.7675e-01 1.T80 CA = 56.745(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.4524e-02 1.T80 H = 8.015(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.1668e-01 1.T80 N = 118.678(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.9278e-01 1.P81 CA = 63.133(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.9688e-01 1.A82 CA = 51.129(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0979e-01 1.A82 H = 7.355(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.5903e-01 1.A82 N = 119.599(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.0503e-01 1.N83 CA = 53.6(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.7454e-01 1.N83 H = 8.787(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.7800e-01 1.N83 N = 121.216(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.7055e-01 1.I84 CA = 59.547(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.4143e-01 1.I84 H = 9.513(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.9796e-02 1.I84 N = 120.742(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.6677e-01 1.I85 CA = 57.8(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.5513e-01 1.I85 H = 8.773(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.6845e-01 1.I85 N = 122.001(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.9941e-01 1.G86 CA = 43.414(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.4852e-01 1.G86 H = 8.143(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7358e-01 1.G86 N = 113.866(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.7826e-01 1.R87 CA = 61.299(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.9925e-02 1.R87 H = 9.366(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.4907e-02 1.R87 N = 116.691(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.6418e-01 1.N88 CA = 56.97(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.8082e-02 1.N88 H = 7.98(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.6771e-01 1.N88 N = 115.736(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.2804e-01 1.L89 CA = 55.238(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.5767e-01 1.L89 H = 6.919(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.3704e-02 1.L89 N = 116.587(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.7636e-01 1.L90 CA = 57.84(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.9729e-01 1.L90 H = 8.27(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5093e-01 1.L90 N = 120.218(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.7374e-01 1.T91 CA = 63.524(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.1463e-01 1.T91 H = 7.842(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.2092e-01 1.T91 N = 106.194(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.2099e-02 1.Q92 CA = 57.818(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.5977e-01 1.I93 CA = 60.418(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.5648e-01 1.I93 H = 6.928(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.6786e-02 1.I93 N = 108.678(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.8224e-03 1.G94 CA = 45.95(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.5433e-01 1.A95 CA = 51.417(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.8419e-01 1.A95 H = 7.457(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.1559e-01 1.A95 N = 120.38(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.2077e-01 1.T96 CA = 59.423(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.8018e-01 1.L97 CA = 53.296(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7524e-01 1.L97 H = 8.556(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.1599e-01 1.L97 N = 121.148(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.5514e-01 1.N98 CA = 52.8(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.9386e-01 1.F99 CA = 58.947(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.3585e-01 1.F99 H = 8.027(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.4372e-01 1.F99 N = 122.22(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.7197e-01