Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.27 V 0.2 P 0.18 T 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 177.4 CA :: 64.54 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 :: 7.66 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 :: 121.4 Ave N Shift Values>> N :: 121.46(4.28) 1.Y6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 T 0.18 V 0.17 C 0.09 S 0.05 F 0.05 Y 0.05 P 0.04 W 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 177.7 CA :: 61.24 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 :: 6.3 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 120.52(4.2) 1.L7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.25 C 0.12 D 0.1 L 0.1 I 0.06 K 0.03 N 0.02 C Shift Assignments>> C :: 177.90(D) CA :: 57.41(D) CB :: 40.19(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 :: 7.69(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.80(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 C 0.08 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 174.90(D) CA :: 47.33(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.28(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.90(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.72 C 0.09 P 0.05 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 173.50(D) CA :: 47.65(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.09(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.10(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.7 A 0.23 I 0.04 C 0.01 C Shift Assignments>> C :: 180.70(D) CA :: 55.23(D) CB :: 16.95(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.34(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.20(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.6 C 0.23 V 0.09 Y 0.03 F 0.02 HN Overlap>> 1.A59 1.A59 C Shift Assignments>> C :: 177.40(D) CA :: 64.27(D) CB :: 36.77(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 :: 7.55(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 :: 120.80(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.12 D 0.12 C 0.11 K 0.05 I 0.05 N 0.02 C Shift Assignments>> C :: 177.60 CA :: 57.30 CB :: 40.44 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 :: 7.50 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.20 Ave N Shift Values>> N :: 121.86(3.9) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 A 0.17 I 0.03 C 0.01 C Shift Assignments>> C :: 179.10 CA :: 55.26 CB :: 16.29 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.23 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.50 Ave N Shift Values>> N :: 123.23(3.54) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 C 0.22 W 0.15 K 0.08 E 0.07 H 0.05 Q 0.05 R 0.05 V 0.03 P 0.01 C Shift Assignments>> C :: 177.60 CA :: 60.64 CB :: 28.97 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 :: 7.53 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.60 Ave N Shift Values>> N :: 120.67(3.48) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.38 P 0.27 I 0.16 C 0.14 W 0.01 C Shift Assignments>> C :: 180.30 CA :: 65.41 CB :: 30.37 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 :: 8.51 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 :: 115.50 Ave N Shift Values>> N :: 121.14(4.54) 1.I16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.47 V 0.27 C 0.22 Y 0.01 C Shift Assignments>> C :: 177.70(D) CA :: 65.71(D) CB :: 36.16 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 :: 7.95(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 :: 122.80(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.54 P 0.17 C 0.1 A 0.09 N 0.03 L 0.02 C Shift Assignments>> C :: 175.60(D) CA :: 47.95(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.31(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.20(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.60(D) CA :: 65.54(D) CB :: 67.26(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 :: 10.11(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 :: 124.00(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 177.80(D) CA :: 67.53(D) CB :: 67.52(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 :: 7.56(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 :: 121.10(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.28 C 0.13 I 0.08 D 0.08 L 0.07 N 0.02 K 0.01 C Shift Assignments>> C :: 178.20(D) CA :: 57.66(D) CB :: 39.83(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 :: 8.08(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 :: 121.90(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 K 0.15 M 0.11 R 0.11 W 0.1 H 0.09 E 0.07 V 0.07 Q 0.05 HN Overlap>> 1.V34 1.V34 C Shift Assignments>> C :: 182.00(D) CA :: 58.38(D) CB :: 32.28(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 :: 8.27(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 :: 121.80(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.18 E 0.12 R 0.09 I 0.09 H 0.08 Q 0.07 V 0.05 K 0.02 M 0.02 C Shift Assignments>> C :: 178.40(D) CA :: 59.97(D) CB :: 29.93(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 :: 7.42(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 :: 125.50(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.25 I 0.22 C 0.14 K 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 175.00 CA :: 60.14 CB :: 40.53 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 :: 7.02 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.90 Ave N Shift Values>> N :: 120.45(4.18) 1.S24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F27 1.F27 C Shift Assignments>> C :: 173.20(D) CA :: 60.16(D) CB :: 63.70 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.75 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.40 Ave N Shift Values>> N :: 116.28(3.52) 1.E25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 K 0.28 C 0.14 R 0.12 Q 0.04 H 0.02 W 0.02 I 0.01 C Shift Assignments>> C :: 177.90(D) CA :: 55.90(D) CB :: 25.50(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 :: 7.41(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 :: 120.30(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 175.00(D) CA :: 45.75(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.24(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.90(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 V 0.14 E 0.1 K 0.09 Q 0.08 M 0.07 I 0.05 Y 0.03 W 0.01 R 0.01 F 0.01 H 0.01 HN Overlap>> 1.S24 1.S24 C Shift Assignments>> C :: 173.10(D) CA :: 59.86(D) CB :: 34.74 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 :: 7.70 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 :: 112.40 Ave N Shift Values>> N :: 120.45(4.18) 1.T28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.40 CA :: 61.66(D) CB :: 70.22(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 :: 7.09(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 :: 100.60(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.16 C 0.13 M 0.13 W 0.11 Q 0.11 E 0.08 K 0.07 C Shift Assignments>> C :: 176.80(D) CA :: 54.12(D) CB :: 30.79(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 :: 7.08(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 :: 118.50(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.L30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.25 I 0.15 C 0.13 K 0.08 L 0.04 D 0.02 C Shift Assignments>> C :: 177.30(D) CA :: 59.60(D) CB :: 40.86 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 :: 9.00(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 :: 130.70(D) Ave N Shift Values>> N :: 121.86(3.9) 1.W31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.39 C 0.23 P 0.15 R 0.06 K 0.04 W 0.03 L 0.01 Q 0.01 H 0.01 C Shift Assignments>> C :: 177.10(D) CA :: 61.23(D) CB :: 26.19(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 :: 9.22(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 :: 118.50(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.41 P 0.26 I 0.15 C 0.14 W 0.01 C Shift Assignments>> C :: 178.20(D) CA :: 65.64(D) CB :: 30.41 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.S33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 175.20(D) CA :: 63.76(D) CB :: 61.91 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.87(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.90(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.55 P 0.18 C 0.13 I 0.12 HN Overlap>> 1.M21 1.M21 C Shift Assignments>> C :: 178.20(D) CA :: 66.58(D) CB :: 30.60(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 :: 8.20(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 :: 121.80(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.36 P 0.32 A 0.12 C 0.09 N 0.04 L 0.01 D 0.01 C Shift Assignments>> C :: 174.90(D) CA :: 48.18(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.46(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.20(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.55 T 0.23 I 0.15 C 0.03 S 0.01 C Shift Assignments>> C :: 174.90(D) CA :: 68.65(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 :: 8.16(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 :: 120.90(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.18 V 0.07 Y 0.01 F 0.01 C Shift Assignments>> C :: 178.20 CA :: 65.67 CB :: 37.14 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 :: 7.46 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 :: 118.70 Ave N Shift Values>> N :: 121.46(4.28) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.18 V 0.07 Y 0.02 F 0.01 HN Overlap>> 1.I68 1.I68 C Shift Assignments>> C :: 177.90 CA :: 65.49 CB :: 37.12 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 :: 8.32 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 :: 119.10 Ave N Shift Values>> N :: 121.46(4.28) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.42 I 0.41 C 0.12 V 0.01 C Shift Assignments>> C :: 177.40 CA :: 65.02 CB :: 25.75 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.91 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.00 Ave N Shift Values>> N :: 120.17(4.64) 1.Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.21 E 0.19 F 0.14 I 0.06 M 0.04 N 0.04 D 0.01 K 0.01 C Shift Assignments>> C :: 178.70 CA :: 57.08 CB :: 37.37 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.79 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 :: 118.80 Ave N Shift Values>> N :: 120.52(4.2) 1.C41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 P 0.42 C 0.11 V 0.01 HN Overlap>> 1.V66 1.V66 C Shift Assignments>> C :: 176.70(D) CA :: 65.68(D) CB :: 26.07(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.24 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.80 Ave N Shift Values>> N :: 120.17(4.64) 1.A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.74 A 0.19 I 0.03 C 0.01 C Shift Assignments>> C :: 178.40(D) CA :: 55.26(D) CB :: 16.58(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.97(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.20(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 T 0.23 I 0.18 P 0.18 C 0.05 F 0.02 Y 0.01 S 0.01 W 0.01 C Shift Assignments>> C :: 178.00(D) CA :: 62.67(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.43(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.10(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.24 V 0.19 S 0.18 T 0.17 I 0.13 C 0.03 F 0.01 Y 0.01 C Shift Assignments>> C :: 178.10 CA :: 63.29 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 :: 8.98 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.80 Ave N Shift Values>> N :: 120.45(4.18) 1.W45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.3 Y 0.28 C 0.13 I 0.1 L 0.07 D 0.05 K 0.03 C Shift Assignments>> C :: 179.40(D) CA :: 58.34(D) CB :: 40.24(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) 1.L47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.24 L 0.12 C 0.11 D 0.11 I 0.05 K 0.05 N 0.01 C Shift Assignments>> C :: 179.20(D) CA :: 57.44(D) CB :: 40.43(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 :: 8.77(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 :: 120.90(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.71 A 0.24 I 0.02 C 0.01 C Shift Assignments>> C :: 178.90(D) CA :: 54.71(D) CB :: 16.31(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.13(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.60(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.38 K 0.26 C 0.13 R 0.1 Q 0.03 H 0.02 W 0.01 C Shift Assignments>> C :: 178.30(D) CA :: 55.03(D) CB :: 25.42 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 :: 6.82(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 :: 113.10(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.27 V 0.2 P 0.19 T 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 177.3 CA :: 64.43 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 N 0.19 F 0.18 C 0.16 D 0.11 L 0.04 E 0.03 I 0.03 M 0.01 C Shift Assignments>> C :: 176.8 CA :: 55.65 CB :: 38.52 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 :: 6.38 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.3 Ave N Shift Values>> N :: 121.86(3.9) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.37 C Shift Assignments>> C :: 177.3 CA :: 52.55 CB :: 16.76 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.79 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 123.23(3.54) 1.Y53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 K 0.18 Y 0.18 L 0.13 C 0.09 D 0.08 I 0.04 R 0.02 C Shift Assignments>> C :: 174.5 CA :: 57.86 CB :: 41.24 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.34 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 :: 112.6 Ave N Shift Values>> N :: 120.52(4.2) 1.I54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.22 T 0.2 P 0.17 I 0.16 S 0.12 C 0.04 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 177.80 CA :: 62.78 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.T56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.30(D) CA :: 66.14 CB :: 68.37 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 :: 8.32 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.10 Ave N Shift Values>> N :: 115.42(4.75) 1.G57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 176.50(D) CA :: 46.93(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.81(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.30(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.49 C 0.26 V 0.17 Y 0.03 F 0.02 C Shift Assignments>> C :: 177.20(D) CA :: 64.12(D) CB :: 36.31(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 :: 6.69(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 :: 121.10(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.76 A 0.16 I 0.04 C 0.01 HN Overlap>> 1.I11 1.I11 C Shift Assignments>> C :: 178.70(D) CA :: 55.50(D) CB :: 16.51(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.58(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.70(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.51 C 0.23 Y 0.12 F 0.08 E 0.02 V 0.02 C Shift Assignments>> C :: 177.70(D) CA :: 62.10(D) CB :: 37.40(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.58(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 :: 115.40(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.59 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 178.70(D) CA :: 55.19(D) CB :: 17.79(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.57(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.80(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.74 C 0.17 V 0.03 Y 0.02 F 0.02 C Shift Assignments>> C :: 176.30(D) CA :: 65.26(D) CB :: 37.55(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 :: 7.71(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 :: 114.70(D) Ave N Shift Values>> N :: 121.46(4.28) 1.W63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.34 C 0.21 R 0.1 W 0.08 P 0.06 Q 0.04 E 0.03 K 0.03 H 0.03 L 0.02 C Shift Assignments>> C :: 179.70(D) CA :: 60.43(D) CB :: 27.33(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 :: 8.05(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 :: 120.70(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 P 0.15 I 0.13 C 0.13 C Shift Assignments>> C :: 177.60(D) CA :: 66.71 CB :: 30.54 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 :: 8.47 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 :: 116.00 Ave N Shift Values>> N :: 121.14(4.54) 1.G65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 P 0.19 C 0.1 A 0.09 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 173.50(D) CA :: 47.99(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.45 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.20 Ave N Shift Values>> N :: 109.67(3.87) 1.V66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.49 P 0.28 C 0.12 I 0.08 HN Overlap>> 1.C41 1.C41 C Shift Assignments>> C :: 178.00(D) CA :: 65.92(D) CB :: 30.83(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 :: 8.29(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 :: 116.80(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 C 0.06 L 0.04 A 0.01 C Shift Assignments>> C :: 175.90(D) CA :: 47.10(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.87(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.90(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.64 C 0.19 V 0.14 Y 0.01 HN Overlap>> 1.I38 1.I38 C Shift Assignments>> C :: 179.00(D) CA :: 66.41(D) CB :: 36.78 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.33(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 :: 119.00(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.56 P 0.18 C 0.13 I 0.11 C Shift Assignments>> C :: 177.60 CA :: 66.62(D) CB :: 30.68 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 :: 6.91(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.80(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.26 Y 0.21 K 0.15 L 0.11 C 0.1 D 0.06 I 0.06 R 0.01 C Shift Assignments>> C :: 179.40 CA :: 58.19 CB :: 41.06 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) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 V 0.3 I 0.11 E 0.04 K 0.03 Y 0.03 Q 0.02 M 0.02 P 0.01 F 0.01 W 0.01 C Shift Assignments>> C :: 179.80 CA :: 61.64 CB :: 34.88 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 :: 9.31 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 :: 119.30 Ave N Shift Values>> N :: 121.46(4.28) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.86 CB :: 61.90 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.29 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.50 Ave N Shift Values>> N :: 116.28(3.52) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.24 Y 0.19 K 0.19 L 0.11 C 0.1 I 0.05 D 0.05 R 0.02 C Shift Assignments>> C :: 178.60 CA :: 58.34 CB :: 41.30 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) 1.L74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 K 0.15 L 0.11 C 0.1 D 0.06 I 0.06 R 0.01 HN Overlap>> 1.L85 1.L85 C Shift Assignments>> C :: 178.90(D) CA :: 58.18(D) CB :: 41.06(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 :: 8.60 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.30 Ave N Shift Values>> N :: 121.86(3.9) 1.S75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 T 0.23 I 0.18 P 0.18 C 0.05 F 0.01 Y 0.01 S 0.01 W 0.01 C Shift Assignments>> C :: 177.50(D) CA :: 62.70(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.05(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.90(D) Ave N Shift Values>> N :: 116.28(3.52) 1.W76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.13 Q 0.12 W 0.12 K 0.11 E 0.09 H 0.08 I 0.08 L 0.05 M 0.01 C Shift Assignments>> C :: 177.50(D) CA :: 58.14(D) CB :: 28.00(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 :: 7.57(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 :: 125.70(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.74 C 0.09 P 0.05 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 173.00(D) CA :: 47.62(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.88(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.30(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.35 C 0.25 Y 0.16 F 0.11 E 0.07 V 0.01 C Shift Assignments>> C :: 176.30(D) CA :: 60.81(D) CB :: 37.26(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 :: 8.11(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 :: 112.10(D) Ave N Shift Values>> N :: 120.45(4.18) 1.F79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 Y 0.17 D 0.17 F 0.16 C 0.12 L 0.07 I 0.01 E 0.01 C Shift Assignments>> C :: 176.50(D) CA :: 55.17(D) CB :: 38.98(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 :: 6.54(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 :: 110.60(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 174.70(D) CA :: 46.31(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.21(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.40(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 L 0.25 C 0.15 R 0.15 Q 0.05 W 0.03 H 0.03 I 0.02 E 0.01 C Shift Assignments>> C :: 174.90(D) CA :: 56.57(D) CB :: 25.72(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 :: 7.20(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.80(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.14 Q 0.14 W 0.12 C 0.11 E 0.11 K 0.08 M 0.07 C Shift Assignments>> C :: 176.00(D) CA :: 55.10(D) CB :: 30.01(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 :: 8.00(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 :: 126.60(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.L83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 G 0.24 R 0.18 D 0.15 C 0.04 F 0.02 K 0.01 N 0.01 Y 0.01 C Shift Assignments>> C :: 174.70(D) CA :: 52.46(D) CB :: 43.64(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 :: 7.06(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 :: 121.00(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 N 0.25 L 0.16 C 0.07 K 0.03 F 0.03 Y 0.02 R 0.01 G 0.01 C Shift Assignments>> C :: 175.20(D) CA :: 50.52(D) CB :: 41.39(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 :: 6.89(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 :: 117.30(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.24 I 0.23 C 0.22 F 0.18 E 0.07 M 0.01 HN Overlap>> 1.L74 1.L74 C Shift Assignments>> C :: 177.30(D) CA :: 59.36(D) CB :: 37.81(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 :: 8.54(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.30(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.54 P 0.22 C 0.12 I 0.09 C Shift Assignments>> C :: 178.00(D) CA :: 66.32 CB :: 30.79(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.A87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.7 A 0.22 I 0.04 C 0.01 C Shift Assignments>> C :: 178.70(D) CA :: 55.37(D) CB :: 17.10(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.17(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.30(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.22 V 0.09 Y 0.03 F 0.02 C Shift Assignments>> C :: 178.3 CA :: 64.61 CB :: 36.8 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 :: 7.75 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 :: 117.2 Ave N Shift Values>> N :: 121.46(4.28) 1.I89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 C 0.25 V 0.22 Y 0.02 F 0.01 C Shift Assignments>> C :: 178.40(D) CA :: 64.62(D) CB :: 36.16(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 :: 8.47 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 :: 119.1 Ave N Shift Values>> N :: 121.46(4.28) 1.G90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 C 0.08 L 0.04 A 0.03 P 0.03 C Shift Assignments>> C :: 176.10(D) CA :: 47.49(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.48(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.30(D) Ave N Shift Values>> N :: 109.67(3.87) 1.M91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 V 0.2 K 0.11 W 0.09 R 0.06 M 0.06 H 0.05 Q 0.04 E 0.04 P 0.02 C Shift Assignments>> C :: 178.40(D) CA :: 59.97(D) CB :: 32.59(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 :: 8.57(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 :: 120.40(D) Ave N Shift Values>> N :: 120.09(3.57) 1.M92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 V 0.17 K 0.14 Q 0.09 M 0.08 W 0.06 R 0.05 H 0.04 E 0.03 C Shift Assignments>> C :: 178.2 CA :: 59.55 CB :: 33.12 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 :: 8.06 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 :: 118.8 Ave N Shift Values>> N :: 120.09(3.57) 1.L93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.27 S 0.22 T 0.19 I 0.13 P 0.13 C 0.02 C Shift Assignments>> CA :: 65.61 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) 1.C95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.45 I 0.4 C 0.11 V 0.01 C Shift Assignments>> CA :: 64.91 CB :: 25.91 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.86 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.20 Ave N Shift Values>> N :: 120.17(4.64) 1.A96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.31 I 0.03 C 0.02 C Shift Assignments>> C :: 178.70(D) CA :: 55.08(D) CB :: 17.52(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.62 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.60 Ave N Shift Values>> N :: 123.23(3.54) 1.G97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.41 G 0.26 A 0.14 C 0.08 N 0.05 D 0.01 L 0.01 C Shift Assignments>> C :: 174.90(D) CA :: 48.31(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.37(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.10(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.59 P 0.14 C 0.13 I 0.12 C Shift Assignments>> C :: 177.80(D) CA :: 66.89(D) CB :: 30.61 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 :: 8.10(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 :: 120.50(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I101 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.21 Y 0.18 N 0.16 F 0.14 E 0.13 M 0.04 D 0.04 I 0.03 L 0.01 C Shift Assignments>> C :: 176.60(D) CA :: 55.74(D) CB :: 37.61(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) 1.L103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 L 0.24 K 0.16 F 0.1 Y 0.08 C 0.05 N 0.05 R 0.03 C Shift Assignments>> C :: 177.00(D) CA :: 55.06(D) CB :: 41.45(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 :: 8.12(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 :: 113.90(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 R 0.21 D 0.19 K 0.09 F 0.05 C 0.04 Y 0.03 G 0.02 N 0.01 C Shift Assignments>> C :: 176.60(D) CA :: 54.27(D) CB :: 42.86(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 :: 7.31(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 :: 114.50(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.80(D) CA :: 57.36(D) CB :: 63.75 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.84(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.20(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S107 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.VCJ1 Overall Status: Residue type VCJ not supported. ########################################################################### Overall Results: #Consistent: 40 #Clerical: 70 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 95 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 15 Shift Relative Order (SRO) Results: #Consistent: 110 #Suspicious: 0 C Shift Results: #Consistent: 84 #Duplicate: 177 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 29 #Duplicate: 57 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 29 #Duplicate: 57 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L7 C = 177.90(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.4581e-01 1.L7 CA = 57.41(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.0070e-01 1.L7 CB = 40.19(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.5946e-01 1.L7 H = 7.69(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0610e-01 1.L7 N = 117.80(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.9786e-01 1.G8 C = 174.90(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.8378e-01 1.G8 CA = 47.33(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.3951e-01 1.G8 H = 8.28(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3868e-01 1.G8 N = 104.90(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.1774e-01 1.G9 C = 173.50(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.4398e-01 1.G9 CA = 47.65(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.6086e-02 1.G9 H = 8.09(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.1196e-01 1.G9 N = 107.10(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.0664e-01 1.A10 C = 180.70(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.6463e-01 1.A10 CA = 55.23(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.9117e-01 1.A10 CB = 16.95(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.6030e-01 1.A10 H = 8.34(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.1550e-01 1.A10 N = 125.20(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.7787e-01 1.I11 C = 177.40(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.1950e-01 1.I11 CA = 64.27(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.2094e-01 1.I11 CB = 36.77(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.5716e-01 1.I11 H = 7.55(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.8303e-01 1.I11 N = 120.80(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.7745e-01 1.I16 C = 177.70(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.3528e-01 1.I16 CA = 65.71(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.2605e-01 1.I16 H = 7.95(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.2747e-01 1.I16 N = 122.80(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.5422e-01 1.G17 C = 175.60(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.5746e-01 1.G17 CA = 47.95(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.2343e-02 1.G17 H = 8.31(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.7545e-01 1.G17 N = 110.20(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.9107e-01 1.T18 C = 175.60(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.4699e-01 1.T18 CA = 65.54(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.9989e-01 1.T18 CB = 67.26(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.2969e-01 1.T18 H = 10.11(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.5602e-03 1.T18 N = 124.00(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.0869e-02 1.T19 C = 177.80(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.3987e-02 1.T19 CA = 67.53(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.0346e-02 1.T19 CB = 67.52(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.7515e-01 1.T19 H = 7.56(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.7274e-01 1.T19 N = 121.10(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.3178e-01 1.L20 C = 178.20(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.4113e-01 1.L20 CA = 57.66(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3819e-01 1.L20 CB = 39.83(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.8712e-01 1.L20 H = 8.08(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.1749e-01 1.L20 N = 121.90(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.9182e-01 1.M21 C = 182.00(D), Expected = 176.18, Std = 2.0900, ChiSquare = 5.3579e-03 1.M21 CA = 58.38(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.0871e-01 1.M21 CB = 32.28(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.5127e-01 1.M21 H = 8.27(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.8670e-01 1.M21 N = 121.80(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.3194e-01 1.K22 C = 178.40(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.7886e-01 1.K22 CA = 59.97(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.6984e-01 1.K22 CB = 29.93(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.0811e-01 1.K22 H = 7.42(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.9938e-01 1.K22 N = 125.50(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.3785e-01 1.S24 C = 173.20(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.0904e-01 1.S24 CA = 60.16(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.8665e-01 1.E25 C = 177.90(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.9736e-01 1.E25 CA = 55.90(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.9687e-01 1.E25 CB = 25.50(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.7392e-03 1.E25 H = 7.41(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.1892e-01 1.E25 N = 120.30(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.1533e-01 1.G26 C = 175.00(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.4780e-01 1.G26 CA = 45.75(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.6532e-01 1.G26 H = 9.24(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.6151e-01 1.G26 N = 111.90(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.6446e-01 1.F27 C = 173.10(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.4368e-01 1.F27 CA = 59.86(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.8856e-01 1.T28 CA = 61.66(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.2882e-01 1.T28 CB = 70.22(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.6371e-01 1.T28 H = 7.09(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.3619e-02 1.T28 N = 100.60(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.8085e-03 1.R29 C = 176.80(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.4765e-01 1.R29 CA = 54.12(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.5130e-01 1.R29 CB = 30.79(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.6078e-01 1.R29 H = 7.08(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.7218e-02 1.R29 N = 118.50(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.3197e-01 1.L30 C = 177.30(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.7559e-01 1.L30 CA = 59.60(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.1686e-02 1.L30 H = 9.00(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.3617e-01 1.L30 N = 130.70(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.3411e-02 1.W31 C = 177.10(D), Expected = 176.12, Std = 2.0100, ChiSquare = 6.2586e-01 1.W31 CA = 61.23(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.6644e-01 1.W31 CB = 26.19(D), Expected = 30.01, Std = 2.0100, ChiSquare = 5.7368e-02 1.W31 H = 9.22(D), Expected = 8.29, Std = 0.7900, ChiSquare = 2.3911e-01 1.W31 N = 118.50(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.4680e-01 1.P32 C = 178.20(D), Expected = 176.75, Std = 1.5100, ChiSquare = 3.3692e-01 1.P32 CA = 65.64(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.2858e-01 1.S33 C = 175.20(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.3596e-01 1.S33 CA = 63.76(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.4901e-02 1.S33 H = 6.87(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.6856e-02 1.S33 N = 112.90(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.3694e-01 1.V34 C = 178.20(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.7450e-01 1.V34 CA = 66.58(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5270e-01 1.V34 CB = 30.60(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.3407e-01 1.V34 H = 8.20(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.9314e-01 1.V34 N = 121.80(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.8442e-01 1.G35 C = 174.90(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.8378e-01 1.G35 CA = 48.18(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.4692e-02 1.G35 H = 8.46(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4148e-01 1.G35 N = 105.20(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.4807e-01 1.T36 C = 174.90(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.3793e-01 1.T36 CA = 68.65(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.3042e-02 1.T36 H = 8.16(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.9733e-01 1.T36 N = 120.90(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.4863e-01 1.C41 C = 176.70(D), Expected = 174.95, Std = 2.0700, ChiSquare = 3.9788e-01 1.C41 CA = 65.68(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.6677e-02 1.C41 CB = 26.07(D), Expected = 32.49, Std = 6.0100, ChiSquare = 2.8542e-01 1.A42 C = 178.40(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.5667e-01 1.A42 CA = 55.26(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.8430e-01 1.A42 CB = 16.58(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.8422e-01 1.A42 H = 7.97(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0147e-01 1.A42 N = 119.20(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.5495e-01 1.S43 C = 178.00(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.9401e-02 1.S43 CA = 62.67(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.6364e-02 1.S43 H = 8.43(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.9931e-01 1.S43 N = 111.10(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.4113e-01 1.L46 C = 179.40(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.2354e-01 1.L46 CA = 58.34(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.0160e-01 1.L46 CB = 40.24(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.7087e-01 1.L47 C = 179.20(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.6435e-01 1.L47 CA = 57.44(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.9285e-01 1.L47 CB = 40.43(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.1731e-01 1.L47 H = 8.77(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0610e-01 1.L47 N = 120.90(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.0556e-01 1.A48 C = 178.90(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.8603e-01 1.A48 CA = 54.71(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.2782e-01 1.A48 CB = 16.31(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.4010e-01 1.A48 H = 8.13(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0712e-01 1.A48 N = 122.60(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.5875e-01 1.Q49 C = 178.30(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.0749e-01 1.Q49 CA = 55.03(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.7176e-01 1.Q49 H = 6.82(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.7650e-02 1.Q49 N = 113.10(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.9280e-02 1.T56 C = 176.30(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.1731e-01 1.G57 C = 176.50(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.6183e-01 1.G57 CA = 46.93(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.3836e-01 1.G57 H = 8.81(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.6023e-01 1.G57 N = 107.30(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.4027e-01 1.I58 C = 177.20(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.8198e-01 1.I58 CA = 64.12(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.4898e-01 1.I58 CB = 36.31(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.5076e-01 1.I58 H = 6.69(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.9375e-02 1.I58 N = 121.10(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.3297e-01 1.A59 C = 178.70(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.5220e-01 1.A59 CA = 55.50(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.3329e-01 1.A59 CB = 16.51(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.7190e-01 1.A59 H = 7.58(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.0145e-01 1.A59 N = 120.70(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.7480e-01 1.Y60 C = 177.70(D), Expected = 175.40, Std = 1.9900, ChiSquare = 2.4777e-01 1.Y60 CA = 62.10(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.1372e-01 1.Y60 CB = 37.40(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.7406e-01 1.Y60 H = 8.58(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.2172e-01 1.Y60 N = 115.40(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.2283e-01 1.A61 C = 178.70(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.5220e-01 1.A61 CA = 55.19(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0050e-01 1.A61 CB = 17.79(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.0499e-01 1.A61 H = 7.57(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.9372e-01 1.A61 N = 118.80(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.1078e-01 1.I62 C = 176.30(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.1469e-01 1.I62 CA = 65.26(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.7322e-01 1.I62 CB = 37.55(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.9289e-01 1.I62 H = 7.71(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.0190e-01 1.I62 N = 114.70(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.1424e-01 1.W63 C = 179.70(D), Expected = 176.12, Std = 2.0100, ChiSquare = 7.4897e-02 1.W63 CA = 60.43(D), Expected = 57.66, Std = 2.5800, ChiSquare = 2.8298e-01 1.W63 CB = 27.33(D), Expected = 30.01, Std = 2.0100, ChiSquare = 1.8242e-01 1.W63 H = 8.05(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.6128e-01 1.W63 N = 120.70(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.1464e-01 1.V64 C = 177.60(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.9736e-01 1.G65 C = 173.50(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.4398e-01 1.G65 CA = 47.99(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.8821e-02 1.V66 C = 178.00(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.1034e-01 1.V66 CA = 65.92(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.3041e-01 1.V66 CB = 30.83(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.8848e-01 1.V66 H = 8.29(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.0000e+00 1.V66 N = 116.80(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.3910e-01 1.G67 C = 175.90(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.8024e-01 1.G67 CA = 47.10(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.9156e-01 1.G67 H = 8.87(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.0610e-01 1.G67 N = 109.90(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5261e-01 1.I68 C = 179.00(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.0088e-01 1.I68 CA = 66.41(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.3286e-02 1.I68 H = 8.33(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.4139e-01 1.I68 N = 119.00(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.6545e-01 1.V69 CA = 66.62(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4872e-01 1.V69 H = 6.91(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.9427e-02 1.V69 N = 118.80(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.0626e-01 1.L74 C = 178.90(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.3472e-01 1.L74 CA = 58.18(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2941e-01 1.L74 CB = 41.06(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.0612e-01 1.S75 C = 177.50(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.4048e-02 1.S75 CA = 62.70(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.4517e-02 1.S75 H = 8.05(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.9666e-01 1.S75 N = 114.90(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.9502e-01 1.W76 C = 177.50(D), Expected = 176.12, Std = 2.0100, ChiSquare = 4.9236e-01 1.W76 CA = 58.14(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.5241e-01 1.W76 CB = 28.00(D), Expected = 30.01, Std = 2.0100, ChiSquare = 3.1731e-01 1.W76 H = 7.57(D), Expected = 8.29, Std = 0.7900, ChiSquare = 3.6209e-01 1.W76 N = 125.70(D), Expected = 121.68, Std = 4.1800, ChiSquare = 3.3619e-01 1.G77 C = 173.00(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.4353e-01 1.G77 CA = 47.62(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.0260e-02 1.G77 H = 7.88(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.8874e-01 1.G77 N = 102.30(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.6859e-02 1.F78 C = 176.30(D), Expected = 175.42, Std = 1.9900, ChiSquare = 6.5834e-01 1.F78 CA = 60.81(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.8812e-01 1.F78 CB = 37.26(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.9148e-01 1.F78 H = 8.11(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.2842e-01 1.F78 N = 112.10(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.5759e-02 1.F79 C = 176.50(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.8733e-01 1.F79 CA = 55.17(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.5751e-01 1.F79 CB = 38.98(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.2892e-01 1.F79 H = 6.54(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.1479e-02 1.F79 N = 110.60(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.8450e-02 1.G80 C = 174.70(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.5886e-01 1.G80 CA = 46.31(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.7373e-01 1.G80 H = 7.21(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4875e-02 1.G80 N = 109.40(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.4438e-01 1.Q81 C = 174.90(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.6963e-01 1.Q81 CA = 56.57(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.0000e+00 1.Q81 CB = 25.72(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.6573e-02 1.Q81 H = 7.20(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.3843e-02 1.Q81 N = 118.80(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.6206e-01 1.R82 C = 176.00(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.3994e-01 1.R82 CA = 55.10(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.6971e-01 1.R82 CB = 30.01(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.0614e-01 1.R82 H = 8.00(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.9399e-01 1.R82 N = 126.60(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.1501e-01 1.L83 C = 174.70(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.4745e-01 1.L83 CA = 52.46(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.3792e-01 1.L83 CB = 43.64(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.7929e-01 1.L83 H = 7.06(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.1861e-02 1.L83 N = 121.00(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.2547e-01 1.D84 C = 175.20(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.9289e-01 1.D84 CA = 50.52(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.9958e-02 1.D84 CB = 41.39(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.5290e-01 1.D84 H = 6.89(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.4354e-02 1.D84 N = 117.30(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.8546e-01 1.L85 C = 177.30(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.7559e-01 1.L85 CA = 59.36(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.9111e-02 1.L85 CB = 37.81(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.6683e-02 1.L85 H = 8.54(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.3342e-01 1.L85 N = 118.30(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.6134e-01 1.P86 C = 178.00(D), Expected = 176.75, Std = 1.5100, ChiSquare = 4.0778e-01 1.P86 CB = 30.79(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.6902e-01 1.A87 C = 178.70(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.5220e-01 1.A87 CA = 55.37(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.6005e-01 1.A87 CB = 17.10(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.9662e-01 1.A87 H = 7.17(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6040e-02 1.A87 N = 116.30(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.0274e-02 1.I89 C = 178.40(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.8414e-01 1.I89 CA = 64.62(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.6138e-01 1.I89 CB = 36.16(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.2142e-01 1.G90 C = 176.10(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.3555e-01 1.G90 CA = 47.49(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.1026e-01 1.G90 H = 8.48(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1749e-01 1.G90 N = 107.30(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.4027e-01 1.M91 C = 178.40(D), Expected = 176.18, Std = 2.0900, ChiSquare = 2.8814e-01 1.M91 CA = 59.97(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.3462e-02 1.M91 CB = 32.59(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.5827e-01 1.M91 H = 8.57(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.0539e-01 1.M91 N = 120.40(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.3080e-01 1.A96 C = 178.70(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.5220e-01 1.A96 CA = 55.08(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.2719e-01 1.A96 CB = 17.52(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.1553e-01 1.G97 C = 174.90(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.8378e-01 1.G97 CA = 48.31(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.7178e-02 1.G97 H = 8.37(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.5093e-01 1.G97 N = 104.10(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.5007e-01 1.V98 C = 177.80(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.5123e-01 1.V98 CA = 66.89(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2394e-01 1.V98 H = 8.10(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.7673e-01 1.V98 N = 120.50(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.8789e-01 1.N102 C = 176.60(D), Expected = 175.27, Std = 1.7900, ChiSquare = 4.5747e-01 1.N102 CA = 55.74(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.4192e-01 1.N102 CB = 37.61(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.2279e-01 1.L103 C = 177.00(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.9597e-01 1.L103 CA = 55.06(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.9262e-01 1.L103 CB = 41.45(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.4735e-01 1.L103 H = 8.12(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.6562e-01 1.L103 N = 113.90(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.1248e-02 1.L104 C = 176.60(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.4385e-01 1.L104 CA = 54.27(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.2621e-01 1.L104 CB = 42.86(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.6986e-01 1.L104 H = 7.31(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.5696e-01 1.L104 N = 114.50(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.9136e-02 1.S105 C = 175.80(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.9268e-01 1.S105 CA = 57.36(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.1118e-01 1.S105 H = 6.84(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.4660e-02 1.S105 N = 111.20(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.4897e-01