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 I 0.24 V 0.24 P 0.11 F 0.03 Y 0.03 W 0.02 C Shift Assignments>> CA :: 62.03 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 :: 55.578(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 :: 8.533 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 :: 120.394 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 0.15 V 0.15 F 0.1 Y 0.1 W 0.08 E 0.03 K 0.03 R 0.03 H 0.02 P 0.02 Q 0.01 M 0.01 C Shift Assignments>> CA :: 60.527(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 :: 9.414(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 :: 127.791(D) 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 0.24 T 0.18 V 0.17 F 0.08 Y 0.08 W 0.06 P 0.03 E 0.02 R 0.02 K 0.02 H 0.01 Q 0.01 M 0.01 C Shift Assignments>> CA :: 60.838 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 :: 8.335 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 :: 115.458 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 0.17 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 :: 54.1 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 :: 9.141 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 :: 116.936 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 K 0.07 I 0.07 R 0.06 H 0.05 Q 0.05 V 0.04 T 0.04 M 0.03 L 0.02 C Shift Assignments>> CA :: 59.037 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 :: 7.329 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 :: 120.782 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>> 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>> CA :: 53.533 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 :: 7.469 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 :: 115.228 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 0.12 H 0.11 Q 0.1 R 0.1 L 0.1 K 0.09 E 0.07 W 0.07 D 0.05 F 0.05 Y 0.05 N 0.02 A 0.01 C Shift Assignments>> CA :: 56.179(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 :: 8.749(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 :: 120.432(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 0.07 F 0.04 Y 0.04 W 0.03 E 0.01 C Shift Assignments>> CA :: 61.677(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 0.11 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>> CA :: 59.462(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 :: 7.611(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 :: 126.659(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 0.04 L 0.03 V 0.02 T 0.02 D 0.01 C Shift Assignments>> CA :: 58.481(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 :: 9.11(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 :: 120.09(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 0.25 P 0.2 I 0.2 F 0.02 Y 0.01 W 0.01 C Shift Assignments>> CA :: 62.724(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 :: 8.486(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 :: 116.264(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 0.13 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>> CA :: 58.015(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 :: 9.286(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 :: 120.665(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>> CA :: 54.661(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 :: 8.593(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 :: 120.529(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 0.15 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 :: 59.171(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 :: 8.913(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 :: 124.786(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.913 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.732 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.152 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 :: 45.036(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.77 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.423 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 0.14 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>> CA :: 54.275(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 :: 7.985(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 :: 119.978(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 :: 54.19 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 :: 8.46 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 :: 123.43 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 :: 54.165 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 :: 9.001 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 :: 123.395 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.13 L 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 :: 55.142 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 :: 8.593 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 :: 119.554 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 0.52 A 0.21 N 0.13 D 0.05 L 0.02 M 0.01 H 0.01 C Shift Assignments>> CA :: 50.837(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.248(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.731(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 A 0.19 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 :: 53.632 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 :: 8.58 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 :: 119.767 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 0.03 A 0.03 C Shift Assignments>> CA :: 55.582(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 :: 8.407(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 :: 124.603(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 0.06 M 0.04 H 0.03 R 0.02 Q 0.02 P 0.02 W 0.01 K 0.01 F 0.01 Y 0.01 C Shift Assignments>> CA :: 52.297(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 :: 8.737(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 :: 128.68(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 :: 65.499(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 :: 8.194(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 :: 110.967(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 :: 45.161(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.906(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.871(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 :: 50.098(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.506(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.265(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 Y 0.11 E 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 :: 57.724(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 :: 8.63(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 :: 125.988(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 :: 7.626(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 :: 115.925(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 0.23 I 0.18 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> CA :: 63.101(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 :: 8.295(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 :: 117.259(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 :: 60.296(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 :: 8.229(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 :: 127.948(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>> 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 C Shift Assignments>> CA :: 57.141(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 :: 9.213(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 :: 125.259(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 N 0.05 E 0.05 F 0.04 A 0.04 Y 0.04 C Shift Assignments>> CA :: 55.321(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 :: 8.055(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 :: 119.758(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 C Shift Assignments>> CA :: 58.14(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 :: 7.573(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 :: 115.292(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 0.07 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 :: 54.689(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 :: 7.037(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 :: 120.415(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 :: 52.683(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 :: 8.628(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 :: 118.709(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 :: 51.875(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 :: 7.284(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 :: 124.626(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 0.2 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> CA :: 62.701 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: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.42 L 0.28 R 0.18 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> CA :: 44.309 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.36(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.18(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 :: 56.21(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 :: 8.395(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 :: 119.226(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 :: 53.874(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 :: 7.405(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 :: 118.647(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 0.25 D 0.12 L 0.06 M 0.05 H 0.04 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 :: 52.934(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 :: 8.491(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 :: 118.073(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 0.25 T 0.23 I 0.18 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> CA :: 63.01(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 0.03 C Shift Assignments>> CA :: 55.607(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 :: 8.554(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 :: 122.379(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 :: 53.741(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 :: 8.527(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 :: 122.574(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 0.15 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 :: 59.172(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 :: 8.854(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 :: 118.261(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 0.25 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>> CA :: 61.066(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 :: 8.068(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 :: 121.072(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 0.41 L 0.29 D 0.07 K 0.06 F 0.06 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> CA :: 43.1(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.643(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.155(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 0.31 P 0.24 T 0.24 I 0.17 C Shift Assignments>> CA :: 64.812(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 :: 8.91(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 :: 120.623(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.31 G 0.12 D 0.05 F 0.05 Y 0.02 K 0.02 C Shift Assignments>> CA :: 43.632 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.108 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.614 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 0.33 L 0.3 R 0.24 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> CA :: 44.133(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.062(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.842(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>> 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 :: 57.001(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 :: 8.217(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 :: 118.106(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 T 0.17 V 0.16 F 0.09 Y 0.09 W 0.07 E 0.03 R 0.02 K 0.02 P 0.02 H 0.02 Q 0.01 M 0.01 C Shift Assignments>> CA :: 60.704(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 :: 9.072(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 :: 117.424(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K55 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 :: 56.249(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 :: 8.369(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 :: 125.667(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 0.04 I 0.03 L 0.03 V 0.02 T 0.02 D 0.01 C Shift Assignments>> CA :: 58.405(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 :: 9.075(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 :: 116.815(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 0.12 M 0.12 H 0.1 Q 0.09 R 0.09 K 0.08 D 0.08 W 0.06 E 0.06 F 0.05 Y 0.04 N 0.03 A 0.02 HN Overlap>> 1.T74 1.T74 C Shift Assignments>> CA :: 55.79(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 :: 8.699(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 :: 118.532(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 0.12 H 0.1 Q 0.1 R 0.09 K 0.08 D 0.07 W 0.06 E 0.06 F 0.05 Y 0.04 N 0.02 A 0.02 C Shift Assignments>> CA :: 55.862(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 :: 9.649(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 :: 123.693(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 0.1 K 0.1 R 0.1 F 0.09 H 0.09 Q 0.09 Y 0.09 M 0.07 L 0.05 D 0.02 I 0.01 C Shift Assignments>> CA :: 57.281(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 :: 9.203(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 :: 129.125(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 :: 53.807(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 :: 8.862(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 :: 121.154(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 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 :: 56.294(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 :: 8.979(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 :: 114.149(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>> L 0.13 D 0.12 M 0.11 H 0.09 Q 0.08 R 0.08 K 0.07 W 0.05 N 0.05 E 0.05 F 0.04 A 0.04 Y 0.04 C Shift Assignments>> CA :: 55.296(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 :: 8.763(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 :: 122.159(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 0.04 Y 0.03 W 0.02 C Shift Assignments>> CA :: 61.873(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 0.1 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>> CA :: 59.483(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 :: 8.838(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 :: 123.341(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate 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 :: 54.212 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 :: 8.288(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 :: 125.49(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent 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 :: 60.307 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 :: 9.161(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 :: 124.98(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 :: 53.223 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.02 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.025 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 :: 45.406 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.673 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.011 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 0.18 L 0.11 N 0.11 A 0.09 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 :: 54.516 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 :: 8.296 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 :: 119.388 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 0.11 Y 0.11 E 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 :: 57.713 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 :: 8.985 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 :: 125.434 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 0.54 A 0.2 N 0.12 D 0.04 L 0.02 M 0.01 H 0.01 C Shift Assignments>> CA :: 50.801(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.806 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.505 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 0.15 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 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 60.018(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 :: 8.482(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 :: 119.345(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 :: 45.994(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 :: 112.343(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 0.32 V 0.25 T 0.21 I 0.16 F 0.01 Y 0.01 HN Overlap>> 1.R57 1.R57 C Shift Assignments>> CA :: 63.436(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 :: 8.709(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 :: 118.55(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 0.28 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>> CA :: 61.437(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 :: 9.26(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 :: 126.911(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 0.34 N 0.25 D 0.11 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 C Shift Assignments>> CA :: 52.226(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 :: 8.36(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 :: 125.157(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 0.09 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 :: 59.853(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 :: 9.179(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 :: 121.731(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 0.89 L 0.08 C Shift Assignments>> CA :: 45.62(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.941(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.694(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>> 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 :: 63.043(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>> Q 0.11 H 0.11 R 0.11 K 0.1 M 0.09 E 0.08 W 0.07 L 0.07 F 0.06 Y 0.06 D 0.04 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.557(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 :: 7.727(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 :: 119.799(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 0.31 V 0.25 T 0.21 I 0.16 F 0.01 Y 0.01 C Shift Assignments>> CA :: 63.604(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 0.34 A 0.27 N 0.17 D 0.07 L 0.03 M 0.02 H 0.01 R 0.01 W 0.01 C Shift Assignments>> CA :: 51.156(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.473(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.603(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 :: 53.601(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 :: 8.616(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 :: 121.203(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 :: 59.577(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 :: 9.47(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 :: 120.557(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 :: 57.796(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 :: 8.764(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 :: 121.904(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 0.09 D 0.06 F 0.05 Y 0.03 K 0.03 C Shift Assignments>> CA :: 43.48(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.132(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.749(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 :: 61.283(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 :: 9.378(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 :: 116.792(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 :: 56.956(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 :: 7.998(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 :: 115.886(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 0.06 W 0.05 E 0.05 A 0.04 F 0.04 Y 0.03 C Shift Assignments>> CA :: 55.2(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 :: 6.92(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 :: 116.568(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 0.05 L 0.04 I 0.02 D 0.01 V 0.01 T 0.01 C Shift Assignments>> CA :: 57.853(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 :: 8.251(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 :: 120.345(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 :: 63.556(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 :: 7.853(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 :: 106.22(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent 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 :: 57.835 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 6.68 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 :: 120.052 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 0.2 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>> CA :: 60.436(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 :: 6.938(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 :: 108.65(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 :: 45.955(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 :: 108.139 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 0.32 N 0.22 P 0.19 D 0.09 L 0.04 M 0.03 H 0.02 R 0.01 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> CA :: 51.49(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.485(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.376(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 0.07 T 0.06 K 0.06 R 0.05 H 0.04 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> CA :: 59.452(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 :: 9.013 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 :: 108.952 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 0.25 N 0.25 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 :: 53.326(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 :: 8.544(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 :: 121.333(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 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 52.844(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 :: 8.926 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 :: 121.734 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 :: 58.954(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 :: 8.022(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 :: 122.135(D) Ave N Shift Values>> N :: 120.45(4.18) 2.K131 Overall Status: Residue type K13 not supported. ########################################################################### Overall Results: #Consistent: 17 #Clerical: 82 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 99 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 99 #Suspicious: 0 C Shift Results: #Consistent: 20 #Duplicate: 79 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 21 #Duplicate: 71 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 21 #Duplicate: 71 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q2 CA = 55.578(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.4297e-01 1.I3 CA = 60.527(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.8614e-01 1.I3 H = 9.414(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.5386e-02 1.I3 N = 127.791(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.3909e-01 1.R8 CA = 56.179(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.9807e-01 1.R8 H = 8.749(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.0404e-01 1.R8 N = 120.432(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.2034e-01 1.P9 CA = 61.677(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.7682e-01 1.I10 CA = 59.462(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.2285e-01 1.I10 H = 7.611(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.2520e-01 1.I10 N = 126.659(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.2447e-01 1.V11 CA = 58.481(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6099e-01 1.V11 H = 9.11(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.2100e-01 1.V11 N = 120.09(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.1710e-01 1.T12 CA = 62.724(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.4571e-01 1.T12 H = 8.486(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.9153e-01 1.T12 N = 116.264(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.5897e-01 1.I13 CA = 58.015(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.7978e-01 1.I13 H = 9.286(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.3903e-01 1.I13 N = 120.665(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.5264e-01 1.R14 CA = 54.661(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.6125e-01 1.R14 H = 8.593(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.6280e-01 1.R14 N = 120.529(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.4130e-01 1.I15 CA = 59.171(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.6278e-01 1.I15 H = 8.913(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.5191e-01 1.I15 N = 124.786(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.3710e-01 1.G17 CA = 45.036(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.1473e-01 1.Q18 CA = 54.275(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.8353e-01 1.Q18 H = 7.985(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.9041e-01 1.Q18 N = 119.978(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.8050e-01 1.A22 CA = 50.837(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.4478e-01 1.A22 H = 9.248(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0695e-02 1.A22 N = 123.731(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.8746e-01 1.L24 CA = 55.582(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.8577e-01 1.L24 H = 8.407(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.8539e-01 1.L24 N = 124.603(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.8185e-01 1.D25 CA = 52.297(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.3847e-01 1.D25 H = 8.737(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.6161e-01 1.D25 N = 128.68(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.7497e-02 1.T26 CA = 65.499(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.0550e-01 1.T26 H = 8.194(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.4086e-01 1.T26 N = 110.967(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.4852e-01 1.G27 CA = 45.161(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.8783e-01 1.G27 H = 7.906(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.1420e-01 1.G27 N = 108.871(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3643e-01 1.A28 CA = 50.098(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.2445e-01 1.A28 H = 7.506(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.4741e-01 1.A28 N = 126.265(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.9125e-01 1.D29 CA = 57.724(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.3502e-01 1.D29 H = 8.63(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.8114e-01 1.D29 N = 125.988(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.6669e-01 1.D30 CA = 52.84(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.6212e-01 1.D30 H = 7.626(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.3827e-01 1.D30 N = 115.925(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.2092e-01 1.T31 CA = 63.101(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.3374e-01 1.T31 H = 8.295(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.2931e-01 1.T31 N = 117.259(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.9864e-01 1.V32 CA = 60.296(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.4300e-01 1.V32 H = 8.229(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.2746e-01 1.V32 N = 127.948(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.3373e-01 1.I33 CA = 57.141(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.5408e-02 1.I33 H = 9.213(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.7004e-01 1.I33 N = 125.259(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.7475e-01 1.E34 CA = 55.321(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.3884e-01 1.E34 H = 8.055(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.4114e-01 1.E34 N = 119.758(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.9327e-01 1.E35 CA = 58.14(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.9480e-01 1.E35 H = 7.573(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.9947e-01 1.E35 N = 115.292(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.2225e-01 1.M36 CA = 54.689(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.2398e-01 1.M36 H = 7.037(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.1517e-02 1.M36 N = 120.415(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.2746e-01 1.N37 CA = 52.683(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.4850e-01 1.N37 H = 8.628(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.4757e-01 1.N37 N = 118.709(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.5627e-01 1.L38 CA = 51.875(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.8711e-02 1.L38 H = 7.284(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.4556e-01 1.L38 N = 124.626(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.7818e-01 1.G40 H = 8.36(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6319e-01 1.G40 N = 106.18(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.6716e-01 1.K41 CA = 56.21(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.3660e-01 1.K41 H = 8.395(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.3260e-01 1.K41 N = 119.226(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.2851e-01 1.W42 CA = 53.874(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.4226e-01 1.W42 H = 7.405(D), Expected = 8.29, Std = 0.7900, ChiSquare = 2.6261e-01 1.W42 N = 118.647(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.6809e-01 1.K43 CA = 52.934(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.7933e-02 1.K43 H = 8.491(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.1590e-01 1.K43 N = 118.073(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.2973e-01 1.P44 CA = 63.01(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.3326e-01 1.K45 CA = 55.607(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.4156e-01 1.K45 H = 8.554(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.4407e-01 1.K45 N = 122.379(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.2445e-01 1.M46 CA = 53.741(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.8809e-01 1.M46 H = 8.527(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.5632e-01 1.M46 N = 122.574(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.8656e-01 1.I47 CA = 59.172(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.6298e-01 1.I47 H = 8.854(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.9860e-01 1.I47 N = 118.261(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.5480e-01 1.V48 CA = 61.066(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.1855e-01 1.V48 H = 8.068(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.4038e-01 1.V48 N = 121.072(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.8805e-01 1.G49 CA = 43.1(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3132e-02 1.G49 H = 7.643(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.9055e-01 1.G49 N = 109.155(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.9413e-01 1.I50 CA = 64.812(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.3217e-01 1.I50 H = 8.91(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.5420e-01 1.I50 N = 120.623(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.4495e-01 1.G52 CA = 44.133(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.6377e-01 1.G52 H = 7.062(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.1085e-02 1.G52 N = 106.842(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.6493e-01 1.F53 CA = 57.001(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.7460e-01 1.F53 H = 8.217(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.4257e-01 1.F53 N = 118.106(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.7496e-01 1.V54 CA = 60.704(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.3232e-01 1.V54 H = 9.072(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.4314e-01 1.V54 N = 117.424(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.1307e-01 1.K55 CA = 56.249(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.5000e-01 1.K55 H = 8.369(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.6545e-01 1.K55 N = 125.667(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.2070e-01 1.V56 CA = 58.405(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5320e-01 1.V56 H = 9.075(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.4134e-01 1.V56 N = 116.815(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.4077e-01 1.R57 CA = 55.79(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.7139e-01 1.R57 H = 8.699(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.5178e-01 1.R57 N = 118.532(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.3769e-01 1.Q58 CA = 55.862(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.4076e-01 1.Q58 H = 9.649(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.5434e-02 1.Q58 N = 123.693(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.9079e-01 1.Y59 CA = 57.281(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.3518e-01 1.Y59 H = 9.203(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.2644e-01 1.Y59 N = 129.125(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.0481e-02 1.D60 CA = 53.807(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.6358e-01 1.D60 H = 8.862(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.4124e-01 1.D60 N = 121.154(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.9612e-01 1.Q61 CA = 56.294(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.9738e-01 1.Q61 H = 8.979(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.9829e-01 1.Q61 N = 114.149(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.1077e-01 1.I62 CA = 55.296(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.8474e-02 1.I62 H = 8.763(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.7752e-01 1.I62 N = 122.159(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.7027e-01 1.P63 CA = 61.873(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.3778e-01 1.I64 CA = 59.483(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.2740e-01 1.I64 H = 8.838(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.1188e-01 1.I64 N = 123.341(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.6031e-01 1.E65 H = 8.288(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.4325e-01 1.E65 N = 125.49(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.6603e-01 1.I66 H = 9.161(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.9512e-01 1.I66 N = 124.98(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.1083e-01 1.A71 CA = 50.801(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.3748e-01 1.I72 CA = 60.018(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.5249e-01 1.I72 H = 8.482(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.6642e-01 1.I72 N = 119.345(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.2119e-01 1.G73 CA = 45.994(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.3080e-01 1.G73 H = 8.459(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4268e-01 1.G73 N = 112.343(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.8976e-01 1.T74 CA = 63.436(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.3871e-01 1.T74 H = 8.709(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.4938e-01 1.T74 N = 118.55(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.0993e-01 1.V75 CA = 61.437(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.1274e-01 1.V75 H = 9.26(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.4768e-01 1.V75 N = 126.911(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.0368e-01 1.L76 CA = 52.226(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.1106e-01 1.L76 H = 8.36(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.4148e-01 1.L76 N = 125.157(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.9790e-01 1.V77 CA = 59.853(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.5651e-01 1.V77 H = 9.179(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.8455e-01 1.V77 N = 121.731(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.9643e-01 1.G78 CA = 45.62(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.4031e-01 1.G78 H = 8.941(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.4722e-01 1.G78 N = 115.694(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.1957e-01 1.P79 CA = 63.043(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.5024e-01 1.T80 CA = 56.557(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.8780e-02 1.T80 H = 7.727(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.0800e-01 1.T80 N = 119.799(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.5658e-01 1.P81 CA = 63.604(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.5695e-01 1.A82 CA = 51.156(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.1633e-01 1.A82 H = 7.473(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.2564e-01 1.A82 N = 119.603(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.0556e-01 1.N83 CA = 53.601(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.7412e-01 1.N83 H = 8.616(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.6132e-01 1.N83 N = 121.203(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.7274e-01 1.I84 CA = 59.577(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.4810e-01 1.I84 H = 9.47(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.0118e-02 1.I84 N = 120.557(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.3290e-01 1.I85 CA = 57.796(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.5470e-01 1.I85 H = 8.764(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.7661e-01 1.I85 N = 121.904(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.1738e-01 1.G86 CA = 43.48(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.6286e-01 1.G86 H = 8.132(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.6066e-01 1.G86 N = 113.749(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.9188e-01 1.R87 CA = 61.283(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.0739e-02 1.R87 H = 9.378(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.2101e-02 1.R87 N = 116.792(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.7610e-01 1.N88 CA = 56.956(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.9214e-02 1.N88 H = 7.998(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.8723e-01 1.N88 N = 115.886(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.5005e-01 1.L89 CA = 55.2(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.4368e-01 1.L89 H = 6.92(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.3864e-02 1.L89 N = 116.568(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.7481e-01 1.L90 CA = 57.853(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.9447e-01 1.L90 H = 8.251(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.7423e-01 1.L90 N = 120.345(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.9767e-01 1.T91 CA = 63.556(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.0597e-01 1.T91 H = 7.853(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.3250e-01 1.T91 N = 106.22(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.2765e-02 1.I93 CA = 60.436(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.6134e-01 1.I93 H = 6.938(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.8435e-02 1.I93 N = 108.65(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.7626e-03 1.G94 CA = 45.955(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.5163e-01 1.A95 CA = 51.49(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.0466e-01 1.A95 H = 7.485(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.3339e-01 1.A95 N = 120.376(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.2012e-01 1.T96 CA = 59.452(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.8519e-01 1.L97 CA = 53.326(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8148e-01 1.L97 H = 8.544(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.2904e-01 1.L97 N = 121.333(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.9251e-01 1.N98 CA = 52.844(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.1122e-01 1.F99 CA = 58.954(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.3380e-01 1.F99 H = 8.022(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.3875e-01 1.F99 N = 122.135(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.8687e-01