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 :: 62.023 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 :: 55.549(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 :: 8.537 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 :: 120.354 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 0.09 Y 0.09 W 0.07 E 0.03 R 0.02 K 0.02 H 0.02 P 0.02 Q 0.01 M 0.01 C Shift Assignments>> CA :: 60.618(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 :: 9.408(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 :: 128.235(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 0.17 V 0.17 F 0.09 Y 0.09 W 0.07 E 0.03 P 0.02 R 0.02 K 0.02 H 0.02 Q 0.01 M 0.01 C Shift Assignments>> CA :: 60.778(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 :: 8.337(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 :: 115.752(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>> D 0.17 N 0.17 A 0.13 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.094(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 :: 9.15(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 :: 116.833(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 K 0.07 R 0.06 I 0.06 H 0.05 Q 0.05 V 0.04 T 0.04 M 0.04 L 0.02 C Shift Assignments>> CA :: 58.977 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 :: 120.865 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 0.22 D 0.14 L 0.08 M 0.06 H 0.04 R 0.04 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 HN Overlap>> 1.E35 1.E35 C Shift Assignments>> CA :: 53.494(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 :: 7.458 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 :: 115.14 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 0.1 Q 0.1 L 0.1 R 0.09 K 0.08 E 0.07 W 0.07 D 0.06 F 0.05 Y 0.05 N 0.02 A 0.01 C Shift Assignments>> CA :: 56.112(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 :: 8.834(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 :: 120.51(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 0.27 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 :: 61.706(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.L10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> 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 :: 53.635(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 :: 7.612(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.975(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.15 F 0.14 W 0.12 E 0.09 K 0.07 R 0.07 H 0.06 Q 0.05 I 0.04 M 0.04 V 0.03 T 0.03 L 0.02 C Shift Assignments>> CA :: 58.663 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 :: 9.169(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 :: 120.076(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.27 T 0.24 P 0.21 I 0.19 F 0.02 Y 0.01 W 0.01 C Shift Assignments>> CA :: 62.765 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 :: 8.522(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 :: 116.18(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 0.13 Y 0.13 W 0.12 E 0.1 K 0.09 R 0.08 H 0.07 Q 0.07 M 0.05 L 0.03 I 0.02 V 0.01 D 0.01 T 0.01 C Shift Assignments>> CA :: 57.994(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 :: 9.305(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 :: 121.05(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent 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 HN Overlap>> 1.E21 1.E21 C Shift Assignments>> CA :: 54.656 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 :: 8.59(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 :: 120.572(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: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.15 F 0.14 W 0.12 E 0.08 I 0.07 K 0.07 R 0.06 H 0.05 Q 0.05 V 0.05 T 0.04 M 0.03 L 0.02 C Shift Assignments>> CA :: 59.101 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 :: 8.908(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 :: 124.82(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 :: 46.909 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.729 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.144 Ave N Shift Values>> N :: 109.67(3.87) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent 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 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.765 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.52 Ave N Shift Values>> N :: 109.67(3.87) 1.Q18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.14 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 HN Overlap>> 1.E34 1.E34 C Shift Assignments>> CA :: 54.246 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 :: 119.947(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 0.16 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 :: 54.151 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 :: 8.461 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 :: 123.376 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 :: 54.117 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 :: 8.982 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 :: 123.227 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>> D 0.13 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 HN Overlap>> 1.R14 1.R14 C Shift Assignments>> CA :: 55.093(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 :: 8.654 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.64 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 0.59 A 0.18 N 0.11 D 0.04 L 0.01 M 0.01 H 0.01 C Shift Assignments>> CA :: 50.705(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.31(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.548(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 C Shift Assignments>> CA :: 53.259(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 :: 8.776(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 :: 121.888(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 D 0.09 H 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 :: 55.542(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 :: 8.411(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 :: 125.341(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 :: 52.264(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 :: 8.698(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 :: 128.875(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.36 T 0.25 P 0.18 I 0.18 C Shift Assignments>> CA :: 65.528 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 :: 8.215(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 :: 111.071(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 0.87 L 0.09 R 0.01 C Shift Assignments>> CA :: 45.34(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.821(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.859(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 :: 50.014(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.581(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.505(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 :: 57.693(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 :: 8.688(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 :: 125.937(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 :: 52.877(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 :: 7.602(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 :: 115.638(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 :: 63.088(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 :: 8.253(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 :: 117.133(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 0.15 Y 0.12 F 0.12 T 0.11 V 0.1 W 0.1 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.989(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 :: 8.318(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.12(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 E 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 :: 57.138(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 :: 9.245(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 :: 125.942(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 0.12 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 HN Overlap>> 1.Q18 1.Q18 C Shift Assignments>> CA :: 55.223(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 :: 8.064(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.019(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 :: 7.54(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 :: 115.073(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 :: 54.708(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 6.979(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 :: 120.515(D) Ave N Shift Values>> N :: 120.09(3.57) 1.N37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.32 N 0.25 D 0.12 L 0.06 M 0.04 H 0.03 R 0.02 Q 0.02 W 0.02 K 0.01 F 0.01 Y 0.01 C Shift Assignments>> CA :: 52.602(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 :: 8.631(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 :: 118.687(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 0.08 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 :: 51.844(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 :: 7.261(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 :: 124.555(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 :: 62.677 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: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.28 R 0.19 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> CA :: 44.301 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.381 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.078 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 0.11 H 0.11 Q 0.1 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 HN Overlap>> 1.T80 1.T80 C Shift Assignments>> CA :: 56.236(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 :: 8.399(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 :: 119.167(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.19 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 :: 53.898(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 :: 7.406(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 :: 118.258(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 :: 8.353(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 :: 117.96(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.26 P 0.24 T 0.23 I 0.19 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> CA :: 62.935 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: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.14 M 0.11 D 0.1 H 0.09 Q 0.09 R 0.08 K 0.07 W 0.05 E 0.05 F 0.04 Y 0.04 N 0.04 A 0.03 HN Overlap>> 1.M46 1.M46 C Shift Assignments>> CA :: 55.51 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 :: 8.546 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.692 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 HN Overlap>> 1.K45 1.K45 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 :: 8.504(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 :: 121.599(D) Ave N Shift Values>> N :: 120.09(3.57) 1.I47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate 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 :: 59.048 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 :: 8.871(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 :: 118.026(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.3 L 0.3 R 0.25 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> CA :: 44.088(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.294(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.656(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.38 L 0.31 G 0.12 D 0.05 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> CA :: 43.606 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.501(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.001(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.29 V 0.27 T 0.22 I 0.17 HN Overlap>> 1.I64 1.I64 C Shift Assignments>> CA :: 64.074 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 :: 8.795(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 :: 123.232(D) 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 :: 7.782 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.351 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 0.34 L 0.3 R 0.23 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> CA :: 44.15(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.904(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.902(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>> H 0.11 Q 0.11 R 0.1 M 0.1 K 0.09 L 0.08 E 0.08 W 0.07 F 0.06 Y 0.06 D 0.04 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.435(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 :: 8.24(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 :: 118.675(D) Ave N Shift Values>> N :: 120.45(4.18) 1.I54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.14 F 0.14 I 0.12 W 0.11 T 0.08 V 0.08 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.654(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 :: 8.998(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 112.997(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.12 H 0.11 Q 0.1 L 0.1 R 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 :: 56.152(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 :: 8.538 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 :: 123.875 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>> 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 :: 58.024(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 :: 8.966(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 :: 115.537(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.14 M 0.11 H 0.09 D 0.09 Q 0.09 R 0.08 K 0.07 W 0.06 E 0.05 F 0.04 Y 0.04 N 0.04 A 0.03 C Shift Assignments>> CA :: 55.559(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 :: 8.845(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 :: 118.936(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 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 C Shift Assignments>> CA :: 55.785(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 :: 9.666(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 :: 123.853(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 0.1 F 0.09 Y 0.09 H 0.09 Q 0.09 M 0.07 L 0.05 D 0.02 I 0.01 C Shift Assignments>> CA :: 57.314(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 :: 9.159(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 :: 129.164(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 0.18 D 0.15 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.01 C Shift Assignments>> CA :: 53.77(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 :: 8.919(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 :: 121.091(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 :: 56.289(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 :: 8.986(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 :: 114.245(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 0.06 N 0.05 W 0.05 E 0.05 A 0.04 F 0.04 Y 0.03 HN Overlap>> 1.I85 1.I85 C Shift Assignments>> CA :: 55.239(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 :: 8.767(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 :: 122.206(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 :: 61.853(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 HN Overlap>> 1.I50 1.I50 C Shift Assignments>> CA :: 59.551(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.838(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 :: 123.18(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate 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 :: 54.216(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 :: 8.273 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 :: 125.432 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 :: 60.32 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 :: 9.147(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 :: 125.006(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 :: 53.222 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.012 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.092 Ave N Shift Values>> N :: 123.23(3.54) 1.G68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.09 C Shift Assignments>> CA :: 45.412 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.677(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.047(D) 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 :: 54.524 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 :: 8.305 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 :: 119.449 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 0.11 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 :: 57.74 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 :: 8.986 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 :: 125.534 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent 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 :: 50.792 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.808 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.334 Ave N Shift Values>> N :: 123.23(3.54) 1.I72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.15 Y 0.12 F 0.12 T 0.11 V 0.1 W 0.1 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 60.001 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 :: 8.463(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 :: 119.464(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 :: 46.018(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.449(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.24(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 C Shift Assignments>> CA :: 63.457(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 :: 8.73(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 :: 118.53(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 :: 61.458(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 :: 9.241(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 :: 126.683(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 P 0.02 W 0.01 K 0.01 F 0.01 Y 0.01 C Shift Assignments>> CA :: 52.318(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 :: 8.187(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 :: 125.135(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 :: 59.881(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 :: 9.104(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 :: 121.368(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 0.9 L 0.07 C Shift Assignments>> CA :: 45.825(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.96(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.717(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 0.31 V 0.25 T 0.22 I 0.17 F 0.01 Y 0.01 C Shift Assignments>> CA :: 63.266(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>> H 0.11 Q 0.11 R 0.1 M 0.1 K 0.09 L 0.08 E 0.08 W 0.07 F 0.06 Y 0.06 D 0.04 N 0.01 A 0.01 HN Overlap>> 1.K41 1.K41 C Shift Assignments>> CA :: 56.44(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 :: 8.324(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 :: 119.115(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 0.3 V 0.27 T 0.22 I 0.17 C Shift Assignments>> CA :: 63.963(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.V82 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 :: 60.069(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 :: 7.15(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 :: 115.639(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.21 A 0.18 D 0.15 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.01 C Shift Assignments>> CA :: 53.753(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 :: 121.57(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 0.13 F 0.13 I 0.13 W 0.11 T 0.09 V 0.09 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.774(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 :: 9.418(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 :: 120.807(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 0.12 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 HN Overlap>> 1.I62 1.I62 C Shift Assignments>> CA :: 57.852(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 :: 8.737(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 :: 122.101(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 :: 43.444(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.155(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.748(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 :: 61.305(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 :: 9.391(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 :: 116.763(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 :: 56.963(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 :: 7.959(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 :: 115.957(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 0.1 H 0.09 Q 0.08 R 0.07 K 0.06 N 0.06 W 0.05 E 0.04 A 0.04 F 0.04 Y 0.03 C Shift Assignments>> CA :: 55.193(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 :: 6.885(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 :: 116.401(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L90 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 :: 57.845 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 :: 8.276 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 :: 120.103 Ave N Shift Values>> N :: 121.86(3.9) 1.T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.31 V 0.25 T 0.21 I 0.16 F 0.01 Y 0.01 C Shift Assignments>> CA :: 63.564 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 :: 7.85 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 :: 106.146 Ave N Shift Values>> N :: 115.42(4.75) 1.Q92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.13 F 0.12 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 :: 57.74 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 :: 6.65(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 :: 120.131(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.2 T 0.15 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 :: 60.465(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 :: 6.932(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 :: 108.593(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 :: 45.951(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.218 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.169 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 0.21 N 0.21 D 0.08 L 0.04 M 0.02 H 0.02 R 0.01 Q 0.01 W 0.01 C Shift Assignments>> CA :: 51.421(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.529(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.43(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.14 F 0.14 W 0.12 I 0.09 E 0.07 V 0.06 K 0.06 T 0.06 R 0.06 H 0.05 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> CA :: 59.365(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 :: 8.991(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 :: 108.994(D) 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>> N 0.25 A 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 :: 53.349(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 :: 8.564(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 :: 121.217(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N98 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 :: 52.845(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 :: 8.911(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 :: 121.648(D) 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 0.06 Q 0.05 M 0.04 V 0.04 T 0.04 L 0.02 C Shift Assignments>> CA :: 58.904(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 :: 8.005(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 :: 122.07(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: 98 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 99 #Suspicious: 0 C Shift Results: #Consistent: 29 #Duplicate: 69 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 20 #Duplicate: 72 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 20 #Duplicate: 72 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q2 CA = 55.549(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.3329e-01 1.I3 CA = 60.618(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.1127e-01 1.I3 H = 9.408(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.7151e-02 1.I3 N = 128.235(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.1343e-01 1.T4 CA = 60.778(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.7769e-01 1.T4 H = 8.337(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.7568e-01 1.T4 N = 115.752(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.4428e-01 1.L5 CA = 54.094(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.7372e-01 1.L5 H = 9.15(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.5696e-01 1.L5 N = 116.833(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.9741e-01 1.K7 CA = 53.494(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1620e-01 1.R8 CA = 56.112(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.7576e-01 1.R8 H = 8.834(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.3017e-01 1.R8 N = 120.51(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.3719e-01 1.P9 CA = 61.706(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.8533e-01 1.L10 CA = 53.635(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5138e-01 1.L10 H = 7.612(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.4172e-01 1.L10 N = 126.975(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.8968e-01 1.V11 H = 9.169(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.8954e-01 1.V11 N = 120.076(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.1470e-01 1.T12 H = 8.522(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.4923e-01 1.T12 N = 116.18(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.7288e-01 1.I13 CA = 57.994(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.7726e-01 1.I13 H = 9.305(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.3172e-01 1.I13 N = 121.05(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.2368e-01 1.R14 H = 8.59(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.6612e-01 1.R14 N = 120.572(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.5060e-01 1.I15 H = 8.908(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.5573e-01 1.I15 N = 124.82(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.3243e-01 1.Q18 H = 8.003(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.1302e-01 1.Q18 N = 119.947(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.8737e-01 1.E21 CA = 55.093(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.8663e-01 1.A22 CA = 50.705(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.1877e-01 1.A22 H = 9.31(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.4314e-02 1.A22 N = 125.548(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.1260e-01 1.L23 CA = 53.259(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.6767e-01 1.L23 H = 8.776(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0091e-01 1.L23 N = 121.888(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.9427e-01 1.L24 CA = 55.542(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.7079e-01 1.L24 H = 8.411(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.8066e-01 1.L24 N = 125.341(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.7209e-01 1.D25 CA = 52.264(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.3206e-01 1.D25 H = 8.698(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.0352e-01 1.D25 N = 128.875(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.3103e-02 1.T26 H = 8.215(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.6784e-01 1.T26 N = 111.071(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.5989e-01 1.G27 CA = 45.34(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.9405e-01 1.G27 H = 7.821(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.3358e-01 1.G27 N = 108.859(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3401e-01 1.A28 CA = 50.014(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.1438e-01 1.A28 H = 7.581(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.0223e-01 1.A28 N = 126.505(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.5489e-01 1.D29 CA = 57.693(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.3906e-01 1.D29 H = 8.688(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.1458e-01 1.D29 N = 125.937(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.7078e-01 1.D30 CA = 52.877(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.7180e-01 1.D30 H = 7.602(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.2220e-01 1.D30 N = 115.638(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.9413e-01 1.T31 CA = 63.088(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.3752e-01 1.T31 H = 8.253(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.8327e-01 1.T31 N = 117.133(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.1837e-01 1.V32 CA = 59.989(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.8186e-01 1.V32 H = 8.318(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.6667e-01 1.V32 N = 128.12(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.2418e-01 1.I33 CA = 57.138(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.5185e-02 1.I33 H = 9.245(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.5586e-01 1.I33 N = 125.942(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.9501e-01 1.E34 CA = 55.223(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.1569e-01 1.E34 H = 8.064(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.5210e-01 1.E34 N = 120.019(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.5161e-01 1.E35 CA = 58.163(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.8669e-01 1.E35 H = 7.54(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.8058e-01 1.E35 N = 115.073(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.0776e-01 1.M36 CA = 54.708(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.2955e-01 1.M36 H = 6.979(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.2761e-02 1.M36 N = 120.515(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.0524e-01 1.N37 CA = 52.602(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.1782e-01 1.N37 H = 8.631(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.4415e-01 1.N37 N = 118.687(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.5192e-01 1.L38 CA = 51.844(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.6267e-02 1.L38 H = 7.261(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.3602e-01 1.L38 N = 124.555(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.8955e-01 1.K41 CA = 56.236(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.4552e-01 1.K41 H = 8.399(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.2759e-01 1.K41 N = 119.167(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.1745e-01 1.W42 CA = 53.898(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.4480e-01 1.W42 H = 7.406(D), Expected = 8.29, Std = 0.7900, ChiSquare = 2.6315e-01 1.W42 N = 118.258(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.1298e-01 1.K43 CA = 52.884(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.4576e-02 1.K43 H = 8.353(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.8588e-01 1.K43 N = 117.96(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.1243e-01 1.M46 CA = 53.741(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.8809e-01 1.M46 H = 8.504(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.8425e-01 1.M46 N = 121.599(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.7252e-01 1.I47 H = 8.871(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.8478e-01 1.I47 N = 118.026(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.2236e-01 1.G48 CA = 44.088(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.4630e-01 1.G48 H = 8.294(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.5583e-01 1.G48 N = 111.656(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.0783e-01 1.G49 H = 7.501(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.0217e-01 1.G49 N = 109.001(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.6276e-01 1.I50 H = 8.795(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.4884e-01 1.I50 N = 123.232(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.7886e-01 1.G52 CA = 44.15(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.7051e-01 1.G52 H = 6.904(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.8246e-02 1.G52 N = 105.902(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.3023e-01 1.F53 CA = 56.435(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.2212e-01 1.F53 H = 8.24(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.6763e-01 1.F53 N = 118.675(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.7110e-01 1.I54 CA = 59.654(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.6548e-01 1.I54 H = 8.998(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.9102e-01 1.I54 N = 112.997(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.8004e-02 1.K55 CA = 56.152(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.1681e-01 1.V56 CA = 58.024(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.1840e-01 1.V56 H = 8.966(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.1300e-01 1.V56 N = 115.537(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.1715e-01 1.R57 CA = 55.559(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.0011e-01 1.R57 H = 8.845(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.2129e-01 1.R57 N = 118.936(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.1249e-01 1.Q58 CA = 55.785(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.1375e-01 1.Q58 H = 9.666(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.4252e-02 1.Q58 N = 123.853(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.7097e-01 1.Y59 CA = 57.314(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.4511e-01 1.Y59 H = 9.159(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.5043e-01 1.Y59 N = 129.164(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.9581e-02 1.D60 CA = 53.77(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.5040e-01 1.D60 H = 8.919(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.9372e-01 1.D60 N = 121.091(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.0904e-01 1.Q61 CA = 56.289(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.9553e-01 1.Q61 H = 8.986(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.9418e-01 1.Q61 N = 114.245(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.1687e-01 1.I62 CA = 55.239(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.7443e-02 1.I62 H = 8.767(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.7388e-01 1.I62 N = 122.206(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.6163e-01 1.P63 CA = 61.853(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.3119e-01 1.I64 CA = 59.551(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.4232e-01 1.I64 H = 8.838(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.1188e-01 1.I64 N = 123.18(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.8778e-01 1.E65 CA = 54.216(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.3750e-01 1.I66 H = 9.147(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.0231e-01 1.I66 N = 125.006(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.0739e-01 1.G68 H = 8.677(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.9345e-01 1.G68 N = 103.047(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.7013e-02 1.I72 H = 8.463(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.8784e-01 1.I72 N = 119.464(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.4096e-01 1.G73 CA = 46.018(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.1813e-01 1.G73 H = 8.449(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.5474e-01 1.G73 N = 112.24(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.0664e-01 1.T74 CA = 63.457(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.3293e-01 1.T74 H = 8.73(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.2934e-01 1.T74 N = 118.53(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.1264e-01 1.V75 CA = 61.458(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.1822e-01 1.V75 H = 9.241(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.5578e-01 1.V75 N = 126.683(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.2211e-01 1.L76 CA = 52.318(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.2109e-01 1.L76 H = 8.187(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.4726e-01 1.L76 N = 125.135(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.0105e-01 1.V77 CA = 59.881(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.6164e-01 1.V77 H = 9.104(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.2439e-01 1.V77 N = 121.368(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.5995e-01 1.G78 CA = 45.825(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.2298e-01 1.G78 H = 8.96(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.3243e-01 1.G78 N = 113.717(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.9568e-01 1.P79 CA = 63.266(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.6641e-01 1.T80 CA = 56.44(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.5637e-02 1.T80 H = 8.324(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.9223e-01 1.T80 N = 119.115(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.3663e-01 1.P81 CA = 63.963(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.7708e-01 1.V82 CA = 60.069(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.9727e-01 1.V82 H = 7.15(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8851e-02 1.V82 N = 115.639(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.2564e-01 1.N83 CA = 53.753(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.0979e-01 1.N83 H = 8.616(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.6132e-01 1.N83 N = 121.57(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.1241e-01 1.I84 CA = 59.774(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.9330e-01 1.I84 H = 9.418(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.4223e-02 1.I84 N = 120.807(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.7874e-01 1.I85 CA = 57.852(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.6084e-01 1.I85 H = 8.737(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.0155e-01 1.I85 N = 122.101(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.8095e-01 1.G86 CA = 43.444(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.5491e-01 1.G86 H = 8.155(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.8775e-01 1.G86 N = 113.748(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.9200e-01 1.R87 CA = 61.305(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.9623e-02 1.R87 H = 9.391(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.9176e-02 1.R87 N = 116.763(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.7264e-01 1.N88 CA = 56.963(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.8646e-02 1.N88 H = 7.959(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.4534e-01 1.N88 N = 115.957(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.6069e-01 1.L89 CA = 55.193(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.4111e-01 1.L89 H = 6.885(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.8524e-02 1.L89 N = 116.401(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.6159e-01 1.Q92 H = 6.65(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.7905e-03 1.Q92 N = 120.131(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.4663e-01 1.I93 CA = 60.465(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.6921e-01 1.I93 H = 6.932(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.7440e-02 1.I93 N = 108.593(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.6444e-03 1.G94 CA = 45.951(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.5379e-01 1.A95 CA = 51.421(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.8530e-01 1.A95 H = 7.529(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.6342e-01 1.A95 N = 120.43(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.2897e-01 1.T96 CA = 59.365(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.7032e-01 1.T96 H = 8.991(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.2578e-01 1.T96 N = 108.994(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.7611e-01 1.L97 CA = 53.349(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8633e-01 1.L97 H = 8.564(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.0736e-01 1.L97 N = 121.217(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.6905e-01 1.N98 CA = 52.845(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.1162e-01 1.N98 H = 8.911(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.6475e-01 1.N98 N = 121.648(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.0003e-01 1.F99 CA = 58.904(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.4850e-01 1.F99 H = 8.005(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.2197e-01 1.F99 N = 122.07(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.9834e-01