Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.F1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 173.9 CA :: 60.73 CB :: 68.89 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.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 H 0.14 K 0.13 W 0.12 E 0.12 R 0.12 C 0.11 M 0.04 L 0.01 C Shift Assignments>> C :: 176.09 CA :: 55.8 CB :: 29.38 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 :: 8.4 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 :: 125.71 Ave N Shift Values>> N :: 120.67(3.48) 1.V17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.28 P 0.23 C 0.22 W 0.08 I 0.04 R 0.03 E 0.02 H 0.02 K 0.02 M 0.01 C Shift Assignments>> C :: 175.69(D) CA :: 61.9(D) CB :: 31.26 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 :: 8.05 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 :: 125.25 Ave N Shift Values>> N :: 121.14(4.54) 1.K18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.26 Q 0.2 C 0.18 K 0.15 H 0.06 R 0.06 W 0.03 E 0.01 C Shift Assignments>> C :: 176.81(D) CA :: 53.94(D) CB :: 33.54 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 :: 8.64(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 :: 128.01(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 N 0.29 L 0.14 F 0.07 C 0.06 Y 0.05 K 0.01 C Shift Assignments>> C :: 176.88(D) CA :: 53.05(D) CB :: 40.36(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 :: 8.45(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 :: 124.74(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.38 D 0.31 L 0.1 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 175.85 CA :: 52.68(D) CB :: 40.01(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 :: 8.82(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 :: 127.74(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.31 V 0.27 C 0.19 I 0.1 W 0.06 R 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 178.19 CA :: 63.04(D) CB :: 30.63 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.G22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.49 L 0.24 R 0.13 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.3(D) CA :: 44.47(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 :: 113.96(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.79 M 0.18 C 0.01 C Shift Assignments>> C :: 177.16(D) CA :: 52.69(D) CB :: 18.44(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.52(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.98(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 R 0.2 K 0.14 D 0.11 F 0.08 Y 0.04 C 0.03 I 0.01 G 0.01 C Shift Assignments>> C :: 171.11(D) CA :: 42.6(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.34(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.49(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.25 V 0.21 W 0.13 P 0.1 R 0.05 E 0.05 I 0.05 H 0.04 K 0.03 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.63 CA :: 61.2 CB :: 30.98 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.L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 L 0.24 K 0.15 F 0.1 Y 0.07 N 0.06 C 0.05 R 0.03 C Shift Assignments>> C :: 175.57(D) CA :: 54.79(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 :: 8.67(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.66(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.38 C 0.15 Q 0.13 H 0.09 W 0.07 K 0.05 R 0.03 E 0.03 M 0.01 C Shift Assignments>> C :: 175.13(D) CA :: 53.84(D) CB :: 27.14(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 :: 9.41(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 :: 132.53(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.F28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 I 0.21 F 0.21 C 0.21 E 0.05 C Shift Assignments>> C :: 175.02(D) CA :: 59.17(D) CB :: 38.18(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 :: 8.28(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 :: 129.91(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.15 K 0.13 W 0.12 R 0.12 E 0.11 C 0.11 M 0.04 L 0.01 C Shift Assignments>> C :: 173.67(D) CA :: 55.48(D) CB :: 29.42 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 :: 8.46(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 :: 130.99(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 Q 0.22 C 0.17 K 0.17 H 0.05 R 0.05 W 0.02 E 0.02 C Shift Assignments>> C :: 175.54 CA :: 55.07(D) CB :: 33.81 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 :: 7.83(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 :: 119.21(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G31 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 :: 173.57(D) CA :: 46.8(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.47(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.39(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.16 C 0.12 Q 0.12 W 0.12 E 0.11 M 0.1 K 0.06 C Shift Assignments>> C :: 176.09(D) CA :: 55.09(D) CB :: 30.56(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 :: 8.8(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 :: 126.39(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.I33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.25 I 0.2 C 0.14 K 0.04 L 0.03 D 0.01 C Shift Assignments>> C :: 174.53(D) CA :: 59.93(D) CB :: 40.59(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 :: 8.83(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 :: 130.58(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>> M 0.25 Q 0.17 C 0.16 K 0.16 H 0.08 R 0.07 W 0.04 E 0.02 C Shift Assignments>> C :: 174.08(D) CA :: 54.3(D) CB :: 33.18(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 :: 9.2(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 :: 127.56(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.22 C 0.18 F 0.18 N 0.15 D 0.07 E 0.06 I 0.04 L 0.03 M 0.02 C Shift Assignments>> C :: 175.02(D) CA :: 56(D) CB :: 38.17(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 :: 9.03(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 :: 128.94(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E36 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 0.12 W 0.11 Q 0.11 E 0.09 K 0.07 C Shift Assignments>> C :: 172.71(D) CA :: 54.32(D) CB :: 30.77 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 :: 9.25(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 :: 129.03(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.42 C 0.16 Y 0.1 F 0.08 E 0.07 D 0.06 M 0.04 L 0.01 C Shift Assignments>> C :: 174.13 CA :: 54.05(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) H Shift Assignments>> H :: 8.93(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 :: 125.71(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.44 V 0.36 C 0.12 I 0.04 W 0.01 C Shift Assignments>> C :: 176.74(D) CA :: 64.39(D) CB :: 31.2 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 :: 8.6(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 :: 121.7(D) Ave N Shift Values>> N :: 121.14(4.54) 1.H39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 H 0.15 R 0.14 C 0.14 K 0.11 W 0.09 Q 0.07 E 0.06 C Shift Assignments>> C :: 174.36 CA :: 53.94(D) CB :: 31.58 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 :: 8.24(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 126.38(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.19 F 0.11 K 0.11 Y 0.07 C 0.07 D 0.04 G 0.03 I 0.01 HN Overlap>> 1.H251 1.H251 C Shift Assignments>> C :: 172.5 CA :: 57.78 CB :: 43.1 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 :: 8.7 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 :: 123.5 Ave N Shift Values>> N :: 120.45(4.18) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.1 Q 0.1 R 0.09 M 0.09 K 0.08 L 0.07 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 172.03 CA :: 56.45 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.26 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 :: 123.8 Ave N Shift Values>> N :: 116.28(3.52) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.22 C 0.2 I 0.09 E 0.06 N 0.03 D 0.03 L 0.02 M 0.01 C Shift Assignments>> CA :: 57.48 CB :: 38.22 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 :: 7.88 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 :: 124.62 Ave N Shift Values>> N :: 120.52(4.2) 1.A43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.4 L 0.3 R 0.13 D 0.07 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.6 CA :: 53.52 CB :: 44.34 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.Q50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.16 C 0.13 Q 0.12 M 0.11 W 0.11 E 0.09 K 0.06 C Shift Assignments>> C :: 172.41 CA :: 54.08(D) CB :: 30.59 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 :: 8.8(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 :: 124.74(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> N 0.31 Y 0.15 D 0.14 F 0.14 C 0.13 L 0.05 E 0.02 I 0.01 M 0.01 C Shift Assignments>> C :: 173.8(D) CA :: 54.82 CB :: 38.58 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) 1.V52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.43 V 0.34 C 0.13 I 0.03 W 0.02 C Shift Assignments>> C :: 175.69 CA :: 63.48(D) CB :: 31.45 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 :: 8.96(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.39(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.09(D) CA :: 55.97(D) CB :: 65.3 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.88(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 :: 125.61(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.25 C 0.17 I 0.08 D 0.06 N 0.04 L 0.04 E 0.02 M 0.01 C Shift Assignments>> C :: 172.66(D) CA :: 57.25(D) CB :: 38.76(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 :: 8.43(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.46(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.43(D) CA :: 60.91(D) CB :: 71.51(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 :: 8.86(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 :: 118.44(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.3 C 0.26 P 0.08 W 0.08 K 0.07 R 0.04 M 0.03 H 0.03 E 0.03 Q 0.02 HN Overlap>> 1.V260 1.V260 C Shift Assignments>> C :: 174.85(D) CA :: 60.88(D) CB :: 32.4(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 :: 9.65(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 :: 129.76(D) Ave N Shift Values>> N :: 121.14(4.54) 1.M57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 H 0.14 Q 0.12 P 0.11 K 0.1 W 0.09 R 0.08 L 0.06 M 0.03 E 0.03 C Shift Assignments>> C :: 172.87(D) CA :: 52(D) CB :: 28.71 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 :: 8.14(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 :: 126.79(D) Ave N Shift Values>> N :: 120.09(3.57) 1.P58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.65 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.G59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 HN Overlap>> 1.G249 1.G249 C Shift Assignments>> C :: 173.82(D) CA :: 44.59(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.49 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.41 Ave N Shift Values>> N :: 109.67(3.87) 1.Q60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.15 K 0.13 R 0.12 W 0.12 C 0.11 E 0.11 M 0.04 L 0.01 C Shift Assignments>> C :: 174.58(D) CA :: 55.25(D) CB :: 29.37(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 :: 7.93(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 :: 121.72(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.69(D) CA :: 61.3(D) CB :: 70.33(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.24(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 :: 116.33(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.41 L 0.26 R 0.13 D 0.1 C 0.04 F 0.01 C Shift Assignments>> C :: 173.59(D) CA :: 52.24(D) CB :: 43.97(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(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 :: 132.79(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.67 G 0.24 C 0.05 L 0.02 C Shift Assignments>> C :: 174.51(D) CA :: 48.68(D) CB :: 21.34(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.91(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.28(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.28 R 0.09 K 0.09 N 0.06 C 0.04 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 174.66(D) CA :: 52.58(D) CB :: 42.34(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 :: 9.02(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 :: 124.47(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 Q 0.18 M 0.16 K 0.15 E 0.1 V 0.03 H 0.02 R 0.02 Y 0.02 W 0.02 I 0.01 C Shift Assignments>> C :: 174.08 CA :: 57.47(D) CB :: 34.54 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 :: 8.56(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 :: 116.58(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.29 G 0.22 D 0.04 F 0.04 C 0.04 Y 0.02 C Shift Assignments>> CA :: 43.94 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.64 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.45 Ave N Shift Values>> N :: 109.67(3.87) 1.P67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T74 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L76 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.16 Q 0.14 W 0.12 K 0.12 E 0.1 H 0.1 I 0.08 L 0.07 R 0.06 M 0.01 C Shift Assignments>> C :: 175.88 CA :: 57.83 CB :: 27.92 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) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.21 N 0.17 K 0.07 C 0.05 F 0.04 Y 0.03 R 0.02 C Shift Assignments>> C :: 175.5 CA :: 52.07 CB :: 41.51 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 :: 7.6 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 :: 118.47 Ave N Shift Values>> N :: 121.86(3.9) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.18 Y 0.18 N 0.17 C 0.11 L 0.09 I 0.02 C Shift Assignments>> C :: 177.29 CA :: 55.46 CB :: 39.4 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 :: 8.87 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 :: 125.28 Ave N Shift Values>> N :: 121.86(3.9) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 F 0.11 N 0.11 Y 0.08 K 0.08 C 0.06 C Shift Assignments>> CA :: 54.62 CB :: 40.9 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 :: 7.95 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 :: 122.27 Ave N Shift Values>> N :: 120.45(4.18) 1.R81 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.13 C 0.12 Y 0.1 F 0.1 W 0.08 I 0.06 E 0.05 K 0.04 R 0.04 V 0.04 T 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 174.72 CA :: 59.26 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) 1.Y83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.27 K 0.11 R 0.07 N 0.07 F 0.04 C 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 174.6(D) CA :: 52.88 CB :: 42.14 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 :: 6.67 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 :: 110.69 Ave N Shift Values>> N :: 120.52(4.2) 1.D84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.27 K 0.13 N 0.06 R 0.06 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 176.42(D) CA :: 53.51(D) CB :: 41.96 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 :: 8.61(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 :: 121.87(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.4 C 0.22 Y 0.18 F 0.13 E 0.03 C Shift Assignments>> C :: 175.89(D) CA :: 61.01(D) CB :: 37.79 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 :: 8.04(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 :: 115.18(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.83(D) CA :: 59.54(D) CB :: 63.05 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.62(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 :: 119.02(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.33(D) CA :: 57.87(D) CB :: 63.46(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.72(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 :: 115.7(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.31 L 0.28 R 0.23 C 0.04 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.79(D) CA :: 44.14(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.34(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.56(D) Ave N Shift Values>> N :: 109.67(3.87) 1.C89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 C 0.16 E 0.14 R 0.11 H 0.11 Q 0.1 K 0.08 M 0.03 I 0.03 V 0.02 C Shift Assignments>> C :: 171.34(D) CA :: 58.6(D) CB :: 29.98(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.27(D) 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 :: 121.3(D) Ave N Shift Values>> N :: 120.17(4.64) 1.I90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 Y 0.26 F 0.2 C 0.2 E 0.03 C Shift Assignments>> C :: 174.3(D) CA :: 59.69(D) CB :: 38.3 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 :: 8.8(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 :: 131.29(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 C 0.25 Q 0.17 K 0.11 N 0.04 E 0.04 H 0.03 R 0.02 W 0.01 C Shift Assignments>> C :: 176.54(D) CA :: 52.83(D) CB :: 34.51(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 :: 9.09(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 :: 125.36(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.I92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.3 Y 0.29 I 0.18 C 0.14 L 0.03 D 0.02 K 0.01 HN Overlap>> 1.D235 1.I180 1.D235 1.I180 C Shift Assignments>> C :: 175.36(D) CA :: 59.21(D) CB :: 39.9(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 :: 8.17(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 :: 122.77(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.2 F 0.2 D 0.18 N 0.14 C 0.12 L 0.09 I 0.02 C Shift Assignments>> C :: 176.97(D) CA :: 55.77(D) CB :: 39.4(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 :: 9.55(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 :: 130.09(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.65 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.76(D) CA :: 44.77(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.21(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.59(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 Q 0.16 K 0.13 R 0.12 C 0.12 W 0.11 E 0.09 M 0.05 L 0.01 C Shift Assignments>> C :: 174(D) CA :: 54.29(D) CB :: 29.31(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 :: 7.91(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 :: 125.19(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.39 D 0.29 L 0.1 F 0.06 C 0.06 Y 0.05 C Shift Assignments>> C :: 179.25(D) CA :: 52.86(D) CB :: 39.89 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 :: 8.34(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 :: 126.76(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.47 C 0.27 V 0.18 Y 0.03 F 0.01 C Shift Assignments>> C :: 176.5 CA :: 64.03(D) CB :: 36.23(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 :: 8.71(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 :: 125.96(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.79 CA :: 59.94 CB :: 63.4 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.09 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 :: 119.82 Ave N Shift Values>> N :: 116.28(3.52) 1.Q99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.14 H 0.13 C 0.12 R 0.11 W 0.1 L 0.09 E 0.07 M 0.02 HN Overlap>> 1.R131 1.K186 1.R131 1.K186 C Shift Assignments>> C :: 174.77(D) CA :: 54.56(D) CB :: 28.37 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 :: 7.77(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 :: 121.9(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 Q 0.2 K 0.18 M 0.17 R 0.05 H 0.04 V 0.04 W 0.03 E 0.03 C Shift Assignments>> C :: 177.5(D) CA :: 57.47(D) CB :: 33.81(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 :: 6.68(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 :: 111.84(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.96 S 0.03 C Shift Assignments>> C :: 176.3 CA :: 60.27(D) CB :: 67.97 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 :: 8.27(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 :: 116.89(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.16 W 0.16 E 0.13 K 0.11 H 0.1 Q 0.1 R 0.1 I 0.06 M 0.02 V 0.01 C Shift Assignments>> C :: 178.26(D) CA :: 58.9(D) CB :: 29.5 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 :: 10.41(S) 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 :: 130.93(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.55 A 0.4 I 0.02 C 0.01 C Shift Assignments>> C :: 180.72(D) CA :: 54.41(D) CB :: 17.33 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.21(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.16(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.Q236 1.Q236 C Shift Assignments>> C :: 176.84 CA :: 60.24(D) CB :: 62.23 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.38(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 :: 115.91(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 K 0.22 Y 0.17 L 0.13 C 0.09 D 0.06 I 0.04 R 0.03 C Shift Assignments>> C :: 177.49 CA :: 58.04(D) CB :: 41.47 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 :: 7.61(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 :: 128.03(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 W 0.14 K 0.14 E 0.12 Q 0.12 H 0.1 R 0.08 I 0.06 M 0.01 L 0.01 C Shift Assignments>> C :: 177.72 CA :: 58.36(D) CB :: 28.83 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 :: 7.8(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 :: 114.74(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.S107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.C244 1.C244 C Shift Assignments>> C :: 174.19(D) CA :: 60.38 CB :: 61.98 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5 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 :: 116.88 Ave N Shift Values>> N :: 116.28(3.52) 1.H108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.15 E 0.14 W 0.13 C 0.12 Q 0.12 M 0.08 K 0.06 C Shift Assignments>> C :: 172.82(D) CA :: 56.5(D) CB :: 30.43 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 :: 6.93(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.86(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.28 I 0.2 C 0.14 L 0.03 D 0.01 K 0.01 C Shift Assignments>> C :: 174.89 CA :: 59.58 CB :: 40.12 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 :: 7.12(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 :: 120.26(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.29 G 0.1 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 170.98 CA :: 43.55 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.16 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.85 Ave N Shift Values>> N :: 109.67(3.87) 1.V111 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.24 V 0.23 C 0.21 I 0.16 W 0.07 R 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 177.73 CA :: 62.96 CB :: 30.29 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.Q114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 C 0.19 I 0.13 L 0.11 Q 0.09 W 0.08 H 0.05 E 0.05 K 0.04 C Shift Assignments>> C :: 178.55 CA :: 58.51(D) CB :: 26.99 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 :: 8.34 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 :: 122.61 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.23 D 0.15 C 0.12 L 0.11 N 0.05 I 0.04 K 0.01 HN Overlap>> 1.A187 1.A187 C Shift Assignments>> CA :: 56.66(D) CB :: 39.88 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 :: 8.09(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.42(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.29 C 0.23 P 0.19 W 0.08 R 0.03 K 0.03 E 0.03 H 0.02 I 0.02 M 0.01 Q 0.01 C Shift Assignments>> C :: 174.86 CA :: 61.6 CB :: 31.6 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) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.21 N 0.16 K 0.07 C 0.05 F 0.04 Y 0.02 R 0.02 C Shift Assignments>> C :: 175.55 CA :: 52.02 CB :: 41.57 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.27 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 :: 129.49 Ave N Shift Values>> N :: 121.86(3.9) 1.F119 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> N 0.31 C 0.25 M 0.15 E 0.11 Y 0.03 K 0.03 Q 0.03 F 0.02 C Shift Assignments>> C :: 172.47 CA :: 52.83(D) CB :: 36.05 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.D121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.5 L 0.22 R 0.1 D 0.09 C 0.03 F 0.01 C Shift Assignments>> C :: 176.25 CA :: 51.9(D) CB :: 44.02(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 :: 8.02(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 :: 129.16(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 178.43(D) CA :: 61.74(D) CB :: 70.99 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.87(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 :: 112.54(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.45 C 0.27 Y 0.09 F 0.06 V 0.05 E 0.04 C Shift Assignments>> C :: 176.41 CA :: 62.17(D) 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 :: 8.81(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(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.34 I 0.05 C 0.03 C Shift Assignments>> C :: 179.21 CA :: 55.52 CB :: 18.25 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.94 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.45 Ave N Shift Values>> N :: 123.23(3.54) 1.D125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.26 C 0.17 I 0.08 D 0.06 L 0.04 N 0.04 E 0.01 C Shift Assignments>> C :: 178.56 CA :: 57.25(D) CB :: 38.91 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 :: 8.26(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 :: 119.63(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 D 0.13 L 0.12 C 0.11 I 0.04 N 0.03 K 0.03 C Shift Assignments>> C :: 178.34 CA :: 57.01 CB :: 40.2 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 :: 8.23 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 :: 121.08 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.2 V 0.07 Y 0.02 F 0.01 C Shift Assignments>> CA :: 65.08 CB :: 37.03 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 :: 7.86 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 :: 124.37 Ave N Shift Values>> N :: 121.46(4.28) 1.R128 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y129 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.01 CA :: 46.29 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.R131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.15 E 0.13 W 0.13 C 0.13 Q 0.11 M 0.08 K 0.07 V 0.01 HN Overlap>> 1.K186 1.Q99 1.K186 1.Q99 C Shift Assignments>> C :: 174.85(D) CA :: 56.67 CB :: 30.69 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 :: 7.74 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 :: 121.92 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.V132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.4 V 0.37 C 0.12 I 0.06 W 0.01 C Shift Assignments>> C :: 175.72 CA :: 64.73(D) CB :: 30.93 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 :: 8.14(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 :: 124.61(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 174.87 CA :: 60.63(D) CB :: 68.25 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 :: 7.01(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 :: 109.22(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 M 0.07 C 0.01 C Shift Assignments>> C :: 178.27 CA :: 52.16(D) CB :: 19.4(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.15(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.77(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.41 L 0.28 D 0.06 G 0.05 F 0.05 K 0.04 C 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 174.67 CA :: 43.27(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.88(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.39(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.11 L 0.1 H 0.09 Q 0.09 R 0.08 K 0.08 E 0.06 W 0.06 D 0.06 C 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 178.73(D) CA :: 56.04(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) 1.E138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 C 0.15 E 0.14 K 0.11 Q 0.11 H 0.11 R 0.1 I 0.04 M 0.02 V 0.01 C Shift Assignments>> C :: 179.17(D) CA :: 58.45(D) CB :: 29.53 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 :: 124.56(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.51 I 0.18 P 0.15 C 0.14 HN Overlap>> 1.A179 1.A179 C Shift Assignments>> C :: 176.75(D) CA :: 66.62(D) CB :: 30.34 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 :: 7.83(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 :: 124.14(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 R 0.14 W 0.12 Q 0.11 K 0.11 I 0.1 E 0.09 H 0.08 L 0.05 M 0.01 C Shift Assignments>> C :: 178.73(D) CA :: 58.33(D) CB :: 27.92(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 :: 7.84(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 :: 121.25(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.58 A 0.37 I 0.01 C 0.01 C Shift Assignments>> C :: 181.2(D) CA :: 54.32(D) CB :: 17.02(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.74(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.83(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.59 A 0.36 I 0.02 C 0.01 C Shift Assignments>> C :: 179.05(D) CA :: 54.54(D) CB :: 17.22(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.04(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.61(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.58 M 0.35 C 0.03 I 0.01 C Shift Assignments>> C :: 180.93(D) CA :: 54.63(D) CB :: 18.77(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.52(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.58(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.22 C 0.19 L 0.13 I 0.12 Q 0.08 K 0.07 W 0.07 H 0.05 E 0.04 C Shift Assignments>> C :: 179.73(D) CA :: 58.34(D) CB :: 26.64 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 :: 8.77(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 :: 122.37(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.48 M 0.48 I 0.01 C 0.01 C Shift Assignments>> C :: 179.14(D) CA :: 54.3(D) CB :: 17.73(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.02(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.61(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 M 0.04 C 0.01 C Shift Assignments>> C :: 176.75(D) CA :: 51.59(D) CB :: 19.69 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.05(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.91(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G147 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 :: 174.75(D) CA :: 45.82(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.65(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.47(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 F 0.19 L 0.16 Y 0.14 D 0.09 C 0.08 R 0.05 I 0.02 C Shift Assignments>> C :: 173.6(D) CA :: 57.5(D) CB :: 41.6 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 :: 8.27(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 :: 117.53(D) Ave N Shift Values>> N :: 121.46(4.28) 1.H149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.17 E 0.12 R 0.11 H 0.09 V 0.06 Q 0.06 K 0.05 M 0.04 I 0.03 C Shift Assignments>> C :: 175.3 CA :: 59.51(D) CB :: 30.66 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 :: 7.05(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 126.78(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.23 C 0.18 I 0.07 N 0.06 D 0.05 E 0.04 L 0.03 M 0.01 HN Overlap>> 1.N233 1.R248 1.N233 1.R248 C Shift Assignments>> C :: 178.64(D) CA :: 56.95(D) CB :: 38.46 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 :: 8.3(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 :: 118.69(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.56 A 0.41 C 0.01 I 0.01 C Shift Assignments>> C :: 179.27(D) CA :: 53.77(D) CB :: 16.63(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.52(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.85(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.38 C 0.31 V 0.17 Y 0.05 F 0.02 E 0.02 C Shift Assignments>> C :: 178.26(D) CA :: 62.93(D) CB :: 36.04 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 :: 7.21(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 :: 120.41(D) Ave N Shift Values>> N :: 121.46(4.28) 1.M153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.14 C 0.12 W 0.11 R 0.11 E 0.09 M 0.04 L 0.02 C Shift Assignments>> C :: 177.54(D) CA :: 54.39(D) CB :: 29.07 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.6(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 :: 116.77(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.13 C Shift Assignments>> C :: 178.6(D) CA :: 51.15(D) CB :: 17.73(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.92(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.36(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.26 C 0.26 M 0.18 E 0.11 K 0.04 Q 0.04 Y 0.03 F 0.02 C Shift Assignments>> C :: 176.84(D) CA :: 52.82(D) CB :: 35.83(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 :: 7.66(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 :: 124.41(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.44 P 0.34 C 0.12 I 0.07 W 0.01 C Shift Assignments>> C :: 177.55 CA :: 65.44 CB :: 30.91 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.E157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.15 K 0.14 C 0.13 W 0.1 R 0.09 E 0.08 L 0.06 M 0.03 C Shift Assignments>> C :: 177.61(D) CA :: 54.13(D) CB :: 28.68 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 :: 7.61(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 :: 114.39(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G158 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 :: 178.07(D) CA :: 45.89(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.59(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.14(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.53 C 0.2 Y 0.12 F 0.09 E 0.01 V 0.01 C Shift Assignments>> C :: 175.63(D) CA :: 62.15(D) CB :: 37.81 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 :: 9.39(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 128.88(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.15 H 0.13 C 0.12 W 0.11 E 0.09 R 0.08 L 0.07 M 0.02 I 0.01 C Shift Assignments>> C :: 175.15(D) CA :: 55.12(D) CB :: 28.41 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 :: 7.88(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 :: 118.25(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.T161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.17(D) CA :: 64.38(D) CB :: 69.21 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 :: 7.42(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 :: 119.67(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 R 0.23 C 0.13 Q 0.11 H 0.06 W 0.06 K 0.05 E 0.03 I 0.02 HN Overlap>> 1.V224 1.V224 C Shift Assignments>> C :: 176.17(D) CA :: 55.79(D) CB :: 26.86(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 :: 8.84(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 :: 129.7(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 V 0.14 K 0.13 W 0.09 M 0.08 R 0.08 H 0.06 Q 0.05 E 0.05 C Shift Assignments>> C :: 174.38(D) CA :: 59.43(D) CB :: 32.53(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 :: 8.15(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 :: 121.24(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.41 L 0.28 D 0.06 G 0.06 F 0.05 K 0.04 C 0.03 Y 0.03 C Shift Assignments>> C :: 175.27(D) CA :: 43.3(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.96(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.26(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 C 0.14 K 0.13 E 0.13 Q 0.12 H 0.1 R 0.09 I 0.05 M 0.02 C Shift Assignments>> C :: 177.95 CA :: 58.41(D) CB :: 29.2 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 :: 8.28(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 :: 123.61(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> Q 0.17 K 0.14 H 0.13 C 0.12 W 0.1 L 0.09 E 0.08 R 0.08 M 0.02 I 0.01 C Shift Assignments>> C :: 175.84(D) CA :: 55.01(D) CB :: 28.31 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) 1.G167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.42 L 0.28 D 0.06 F 0.05 G 0.05 K 0.04 C 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 172.41(D) CA :: 43.24(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.27(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(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 L 0.23 K 0.14 F 0.1 Y 0.08 N 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 176.02(D) CA :: 54.88(D) CB :: 41.28(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 :: 8.14(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 :: 127.96(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.16 M 0.12 C 0.12 W 0.11 Q 0.1 E 0.1 K 0.08 HN Overlap>> 1.K279 1.K279 C Shift Assignments>> C :: 175.84(D) CA :: 55.12(D) CB :: 30.93 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 :: 8.17(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 :: 127.55(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.26 K 0.12 N 0.08 F 0.05 R 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 176.97(D) CA :: 53.35(D) CB :: 41.82 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 :: 7.94(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 :: 128.33(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.97 CA :: 56.82(D) CB :: 64.84 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.19(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 :: 120.81(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G172 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 176.19 CA :: 46.4 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.E174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.15 K 0.12 E 0.12 Q 0.1 H 0.09 I 0.09 R 0.08 M 0.01 V 0.01 C Shift Assignments>> C :: 178.72(D) CA :: 59.06 CB :: 29.09 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 :: 7.6 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 :: 124.02 Ave N Shift Values>> N :: 120.67(3.48) 1.K175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 V 0.2 W 0.13 P 0.07 R 0.07 E 0.06 H 0.05 K 0.05 M 0.03 I 0.03 Q 0.02 C Shift Assignments>> C :: 178.78(D) CA :: 60.77(D) CB :: 31.31 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 :: 8.6(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 :: 120.46(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.1 F 0.1 Y 0.1 C 0.1 E 0.09 K 0.07 S 0.07 R 0.07 H 0.06 Q 0.06 M 0.04 L 0.03 I 0.01 D 0.01 V 0.01 T 0.01 HN Overlap>> 1.Q266 1.Q266 C Shift Assignments>> C :: 178.9(D) CA :: 57.84 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 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 :: 119.67 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.16 I 0.13 E 0.11 K 0.11 Q 0.08 H 0.08 R 0.07 V 0.01 M 0.01 C Shift Assignments>> C :: 178.81 CA :: 59.68(D) CB :: 29.1 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 :: 7.76(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 :: 120.1(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.V178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.4 I 0.35 C 0.16 P 0.06 C Shift Assignments>> C :: 177.34(D) CA :: 67.01(D) CB :: 29.75 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 :: 8.09(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.84(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.61 A 0.31 I 0.04 C 0.02 HN Overlap>> 1.V139 1.V139 C Shift Assignments>> C :: 181.66 CA :: 55.22(D) CB :: 17.66 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.78(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.22(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.27 S 0.22 T 0.19 I 0.13 P 0.13 C 0.02 HN Overlap>> 1.I92 1.L255 1.M264 1.D235 1.I92 1.L255 1.M264 1.D235 C Shift Assignments>> C :: 176.9(D) CA :: 65.64 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 :: 8.15 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 :: 122.71 Ave N Shift Values>> N :: 121.46(4.28) 1.A181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.63 A 0.31 I 0.03 C 0.01 C Shift Assignments>> C :: 178.67(D) CA :: 54.98(D) CB :: 17.36 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.57(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.73(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.17 E 0.13 R 0.12 H 0.1 Q 0.08 K 0.05 V 0.04 M 0.04 I 0.03 C Shift Assignments>> C :: 178.53 CA :: 59.15(D) CB :: 30.41 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 :: 117.94(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.T183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.38 T 0.22 I 0.15 S 0.12 P 0.06 C 0.03 C Shift Assignments>> C :: 175.88 CA :: 66.77 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 :: 7.55 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 :: 118.27 Ave N Shift Values>> N :: 115.42(4.75) 1.I184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.17 Y 0.04 F 0.03 V 0.02 C Shift Assignments>> CA :: 64.58 CB :: 37.72 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 :: 8.49 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 :: 125.23 Ave N Shift Values>> N :: 121.46(4.28) 1.L185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.19 L 0.18 D 0.16 Y 0.15 K 0.15 C 0.08 N 0.02 I 0.02 R 0.01 C Shift Assignments>> CA :: 56.56 CB :: 41.05 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.K186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.14 W 0.11 R 0.11 M 0.1 H 0.09 E 0.08 V 0.07 Q 0.03 HN Overlap>> 1.R131 1.R131 1.L267 1.Q99 1.L267 1.Q99 C Shift Assignments>> C :: 175.44(D) CA :: 58.64 CB :: 31.99 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 :: 7.71 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 :: 121.98 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A187 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.65 M 0.33 HN Overlap>> 1.D115 1.D115 C Shift Assignments>> C :: 173.75(D) CA :: 51.66(D) CB :: 16.15 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.45(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P188 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.27(D) CA :: 45.27(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.I190 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.3 Y 0.26 C 0.12 I 0.11 K 0.07 L 0.06 D 0.03 C Shift Assignments>> C :: 173.82 CA :: 58.88(D) CB :: 40.66 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 :: 7.82(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 :: 122.51(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.22 C 0.21 I 0.12 E 0.07 D 0.02 N 0.01 M 0.01 L 0.01 C Shift Assignments>> C :: 173.2(D) CA :: 57.99(D) CB :: 38.13 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 :: 9.1(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 :: 129.47(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 N 0.27 L 0.16 C 0.05 F 0.04 K 0.03 Y 0.03 C Shift Assignments>> C :: 174.78(D) CA :: 51.72(D) CB :: 41.01 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 :: 8.75(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 :: 126.84(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L193 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.29 R 0.1 K 0.09 N 0.06 C 0.04 F 0.04 Y 0.02 G 0.02 HN Overlap>> 1.V246 1.V246 C Shift Assignments>> C :: 174 CA :: 52.61(D) CB :: 42.4 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 :: 8.99(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 :: 126.22(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.24 L 0.17 C 0.05 K 0.04 F 0.04 Y 0.03 C Shift Assignments>> CA :: 51.73 CB :: 41.17 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 :: 8.07 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 :: 126.31 Ave N Shift Values>> N :: 120.65(3.86) 1.E195 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A196 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T197 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S198 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A199 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.32 L 0.25 K 0.12 N 0.08 F 0.06 C 0.04 R 0.04 Y 0.04 C Shift Assignments>> C :: 176.56 CA :: 53.45 CB :: 41.76 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.D201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.3 L 0.14 F 0.06 C 0.05 Y 0.04 K 0.02 C Shift Assignments>> C :: 175.97 CA :: 52.72 CB :: 40.46 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 :: 8.12 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 :: 121.84 Ave N Shift Values>> N :: 120.65(3.86) 1.T202 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S203 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N204 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E205 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R206 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A207 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I208 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q209 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.17 N 0.11 L 0.11 A 0.09 M 0.08 H 0.07 Q 0.06 R 0.05 K 0.04 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 178.56(D) CA :: 54.49 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) 1.A210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 N 0.13 A 0.1 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> C :: 180.33 CA :: 54.31(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.85(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.78(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S211 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.24 T 0.22 V 0.2 P 0.07 C 0.07 F 0.03 Y 0.03 S 0.03 W 0.02 C Shift Assignments>> CA :: 61.78(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.76(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 :: 117.87(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 D 0.16 L 0.16 C 0.09 K 0.08 N 0.03 I 0.03 C Shift Assignments>> C :: 178.22 CA :: 56.68 CB :: 40.66 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.46 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.56 Ave N Shift Values>> N :: 121.86(3.9) 1.A213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.37 I 0.01 C 0.01 C Shift Assignments>> C :: 180.3 CA :: 54.26 CB :: 16.92 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.06 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.52 Ave N Shift Values>> N :: 123.23(3.54) 1.K214 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 W 0.15 E 0.14 R 0.14 H 0.12 Q 0.09 K 0.07 M 0.06 V 0.02 I 0.01 C Shift Assignments>> C :: 178.9(D) CA :: 58.02(D) CB :: 30.73 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 :: 7.19 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 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V215 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.44 V 0.34 C 0.13 I 0.04 W 0.02 C Shift Assignments>> C :: 177.11 CA :: 63.82(D) CB :: 31.26(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 :: 7.57(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 :: 120.6(D) Ave N Shift Values>> N :: 121.14(4.54) 1.C216 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A217 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.62 M 0.35 C 0.01 C Shift Assignments>> C :: 177.74(D) CA :: 53.21 CB :: 17.53 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.N218 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.37 C 0.19 E 0.11 Y 0.09 F 0.06 M 0.06 D 0.04 K 0.01 L 0.01 C Shift Assignments>> C :: 173.76 CA :: 54.05(D) CB :: 37.17 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 :: 8.86(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 :: 117.09(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 H 0.15 R 0.15 C 0.14 K 0.11 W 0.09 Q 0.07 E 0.06 C Shift Assignments>> C :: 175.62 CA :: 54.22 CB :: 31.55 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 :: 7.86 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 :: 120.82 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.T220 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.88(D) CA :: 63.41(D) CB :: 68.96 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 :: 8.12 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 :: 123.42 Ave N Shift Values>> N :: 115.42(4.75) 1.T221 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.41(D) CA :: 61.45(D) CB :: 70.97 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 :: 8.87(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 :: 127.96(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I222 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 I 0.23 F 0.22 C 0.2 E 0.03 C Shift Assignments>> C :: 173.65 CA :: 59.3(D) CB :: 38.31 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 :: 8.66(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.71(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V223 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 Q 0.18 K 0.16 M 0.14 V 0.06 E 0.05 R 0.03 H 0.03 W 0.03 Y 0.01 C Shift Assignments>> C :: 173.99 CA :: 58.2(D) CB :: 34.12 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 :: 9.12(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.91(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V224 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 C 0.24 P 0.13 W 0.11 R 0.05 E 0.04 K 0.04 H 0.04 I 0.03 M 0.02 Q 0.01 HN Overlap>> 1.Q162 1.Q162 C Shift Assignments>> C :: 174.85 CA :: 61.21(D) CB :: 31.41 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 :: 8.79 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 :: 129.77 Ave N Shift Values>> N :: 121.14(4.54) 1.A225 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.72 L 0.17 C 0.09 C Shift Assignments>> C :: 175.68 CA :: 50.48(D) CB :: 21.97 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.87(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.54(D) Ave N Shift Values>> N :: 123.23(3.54) 1.H226 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R227 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L228 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S229 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 176.26 CA :: 63.55 CB :: 68.59 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.V231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 W 0.15 V 0.14 E 0.08 R 0.08 H 0.06 K 0.04 I 0.04 P 0.03 Q 0.03 M 0.03 C Shift Assignments>> C :: 175.82 CA :: 60.48 CB :: 30.9 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 :: 7.65 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 :: 114.83 Ave N Shift Values>> N :: 121.14(4.54) 1.V232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.38 V 0.32 C 0.14 I 0.1 W 0.02 C Shift Assignments>> C :: 176.98 CA :: 64.29 CB :: 30.64 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 :: 6.52 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 :: 116.68 Ave N Shift Values>> N :: 121.14(4.54) 1.N233 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 C 0.11 D 0.08 Y 0.04 F 0.03 L 0.01 M 0.01 E 0.01 HN Overlap>> 1.D150 1.D150 1.R248 1.R248 C Shift Assignments>> C :: 175.29(D) CA :: 51.91(D) CB :: 38 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 :: 8.3 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 :: 118.72 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A234 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.74 M 0.24 C 0.01 C Shift Assignments>> C :: 177.07 CA :: 52.87(D) CB :: 18.09 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.82(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.53(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D235 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 L 0.16 K 0.14 D 0.13 C 0.09 I 0.03 N 0.01 R 0.01 HN Overlap>> 1.I92 1.I92 1.I180 1.I180 C Shift Assignments>> C :: 175.7(D) CA :: 57.12(D) CB :: 40.97 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 :: 8.16 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 :: 122.78 Ave N Shift Values>> N :: 120.65(3.86) 1.Q236 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.16 C 0.15 R 0.13 H 0.12 W 0.08 E 0.06 Q 0.04 HN Overlap>> 1.S104 1.S104 C Shift Assignments>> C :: 171.54(D) CA :: 55.24(D) CB :: 32.19(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 :: 7.46(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 :: 115.94(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I237 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.29 Y 0.25 F 0.21 C 0.19 E 0.02 C Shift Assignments>> C :: 174.41 CA :: 59.97(D) CB :: 38.47(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 :: 8.55(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 :: 128.87(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L238 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.26 K 0.09 N 0.09 R 0.06 C 0.04 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 174.39 CA :: 52.43(D) CB :: 42.1 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.91(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 :: 126.78(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V239 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.17 E 0.12 R 0.1 H 0.09 V 0.07 Q 0.06 I 0.05 K 0.04 M 0.03 C Shift Assignments>> C :: 174.69(D) CA :: 59.88(D) CB :: 30.41(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 :: 8.36(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 :: 124.88(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I240 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 E 0.21 Y 0.2 F 0.13 I 0.08 M 0.04 N 0.02 K 0.01 C Shift Assignments>> C :: 174.15 CA :: 57.58(D) CB :: 37.23(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 :: 9.22(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 :: 131.67(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 E 0.22 M 0.19 Q 0.1 K 0.09 Y 0.04 N 0.03 F 0.02 H 0.01 R 0.01 C Shift Assignments>> C :: 176.02 CA :: 55.4 CB :: 35.48 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 :: 8.78 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 :: 126.63 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D242 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 D 0.12 M 0.1 H 0.08 Q 0.07 R 0.07 K 0.06 N 0.05 C 0.05 W 0.05 E 0.04 A 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 175.46 CA :: 55.18(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 :: 9.35(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 :: 129.53(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G243 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.34(D) CA :: 46.02 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.09 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.46 Ave N Shift Values>> N :: 109.67(3.87) 1.C244 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 W 0.12 C 0.12 E 0.12 Q 0.12 M 0.09 K 0.06 HN Overlap>> 1.S107 1.S107 C Shift Assignments>> C :: 173.86(D) CA :: 55.61(D) CB :: 30.58(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.53(D) 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 :: 116.92(D) Ave N Shift Values>> N :: 120.17(4.64) 1.I245 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 I 0.18 E 0.14 V 0.09 Y 0.08 F 0.04 K 0.03 M 0.03 Q 0.01 C Shift Assignments>> C :: 177.09(D) CA :: 60.63(D) CB :: 35.82 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(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 :: 124.2(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V246 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.31 C 0.22 P 0.21 W 0.08 R 0.03 K 0.02 E 0.02 I 0.02 H 0.02 M 0.01 HN Overlap>> 1.L193 1.L193 C Shift Assignments>> C :: 176.06(D) CA :: 61.73(D) CB :: 31.64 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 :: 8.99(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 :: 126.24(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E247 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 Q 0.21 K 0.17 C 0.17 H 0.06 R 0.06 W 0.03 E 0.01 C Shift Assignments>> C :: 173.35(D) CA :: 54.84(D) CB :: 33.54(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 :: 7.5(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 :: 120.72(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R248 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.26 Q 0.18 C 0.18 K 0.15 H 0.07 R 0.07 W 0.03 E 0.01 HN Overlap>> 1.D150 1.N233 1.D150 1.N233 C Shift Assignments>> C :: 174.44(D) CA :: 53.77(D) CB :: 33.34(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 :: 8.27(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 :: 118.72(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.G249 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.52 L 0.23 R 0.12 C 0.04 F 0.02 D 0.02 Y 0.01 HN Overlap>> 1.G59 1.G59 C Shift Assignments>> C :: 171.31(D) CA :: 44.51(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.57(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.43(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R250 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.16 C 0.12 M 0.12 W 0.11 Q 0.11 E 0.1 K 0.08 C Shift Assignments>> C :: 176.03(D) CA :: 55.13(D) CB :: 30.83(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 :: 7.82(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 :: 120.67(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.H251 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 W 0.14 V 0.14 R 0.09 E 0.08 H 0.07 K 0.07 M 0.04 Q 0.03 P 0.02 I 0.02 HN Overlap>> 1.F40 1.F40 C Shift Assignments>> C :: 175.56(D) CA :: 60.12(D) CB :: 31.27 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 :: 8.7(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 123.49(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E252 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.23 C 0.21 R 0.17 W 0.09 Q 0.07 L 0.06 E 0.04 H 0.04 K 0.03 P 0.01 C Shift Assignments>> C :: 179(D) CA :: 59.45(D) CB :: 27.09(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 :: 8.92(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 :: 117.24(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A253 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.65 M 0.32 C 0.01 C Shift Assignments>> C :: 180.65(D) CA :: 53.58(D) CB :: 18.09(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.91(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.24(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L254 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 Y 0.17 L 0.17 D 0.16 K 0.11 C 0.09 N 0.02 I 0.02 HN Overlap>> 1.A262 1.A262 C Shift Assignments>> C :: 180.65(D) CA :: 56.69(D) CB :: 40.82 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 :: 8.09(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.13(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L255 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 0.11 L 0.1 I 0.05 N 0.02 K 0.02 HN Overlap>> 1.M264 1.I180 1.M264 1.I180 C Shift Assignments>> C :: 179.92(D) CA :: 57.25(D) CB :: 40.08(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 :: 8.17(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.63(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S256 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.28(D) CA :: 60.14(D) CB :: 62.9(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.44(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 :: 116.3(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R257 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.14 H 0.14 E 0.13 W 0.13 K 0.13 R 0.12 C 0.11 M 0.04 I 0.01 C Shift Assignments>> C :: 178.41(D) CA :: 56.73(D) CB :: 29.52(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 :: 7.34(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 :: 121.56(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.G258 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 :: 173.94(D) CA :: 46.32(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.25(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.23(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G259 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.37 L 0.3 G 0.12 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 173.87(D) CA :: 43.62(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.35(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.43(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V260 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.46 P 0.38 C 0.1 I 0.03 HN Overlap>> 1.V56 1.V56 C Shift Assignments>> C :: 179.07 CA :: 65.39 CB :: 31.37 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 :: 9.58(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 :: 129.68(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Y261 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.5 C 0.2 Y 0.15 F 0.11 E 0.01 C Shift Assignments>> C :: 176.83 CA :: 61.78(D) CB :: 38 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 :: 9.27(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 :: 124.5(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A262 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.45 I 0.02 C 0.01 HN Overlap>> 1.L254 1.L254 C Shift Assignments>> C :: 179.84(D) CA :: 54.46(D) CB :: 17.73 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 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2 Ave N Shift Values>> N :: 123.23(3.54) 1.D263 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.25 D 0.13 C 0.12 L 0.1 N 0.05 I 0.05 C Shift Assignments>> C :: 178.89(D) CA :: 56.8(D) CB :: 39.74 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 :: 8.16(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 :: 121.65(D) Ave N Shift Values>> N :: 120.65(3.86) 1.M264 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 K 0.16 M 0.11 V 0.11 Q 0.1 R 0.07 W 0.07 H 0.06 E 0.04 HN Overlap>> 1.L255 1.L255 1.I180 1.I180 C Shift Assignments>> C :: 178 CA :: 58.91(D) CB :: 32.97 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 :: 8.09(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.63(D) Ave N Shift Values>> N :: 120.09(3.57) 1.W265 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 I 0.17 W 0.15 K 0.1 E 0.09 Q 0.07 H 0.07 R 0.06 V 0.01 M 0.01 C Shift Assignments>> C :: 178.18(D) CA :: 59.93 CB :: 28.83 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 :: 8.8 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.66 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q266 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 C 0.16 L 0.11 Q 0.11 W 0.09 I 0.08 H 0.07 K 0.06 E 0.06 HN Overlap>> 1.Q176 1.Q176 C Shift Assignments>> C :: 178.87(D) CA :: 57.91(D) CB :: 27.34 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 :: 8.09(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 :: 119.66(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L267 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 Y 0.18 L 0.16 D 0.15 K 0.11 C 0.09 I 0.03 N 0.02 HN Overlap>> 1.K186 1.K186 C Shift Assignments>> C :: 179.2 CA :: 56.81(D) CB :: 40.81 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 :: 7.64(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.05(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q268 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.23 L 0.18 C 0.14 Q 0.11 W 0.07 H 0.07 E 0.05 I 0.05 K 0.05 C Shift Assignments>> C :: 177.46(D) CA :: 57.08(D) CB :: 27.05 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 :: 7.67(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 :: 118.88(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q269 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 Q 0.15 L 0.14 C 0.12 K 0.1 H 0.1 W 0.09 E 0.07 I 0.01 M 0.01 C Shift Assignments>> C :: 177.2(D) CA :: 55.72(D) CB :: 27.79(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 :: 7.79(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 :: 120.3(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G270 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.72 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.22(D) CA :: 44.94(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.74(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.78(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q271 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.13 R 0.13 H 0.12 C 0.11 W 0.1 L 0.1 E 0.08 M 0.02 I 0.01 C Shift Assignments>> C :: 175.97(D) CA :: 55.17(D) CB :: 28.21(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 :: 7.81(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 :: 121.46(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E272 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.14 H 0.14 W 0.12 E 0.12 C 0.11 R 0.11 M 0.03 L 0.01 I 0.01 C Shift Assignments>> C :: 176.45(D) CA :: 56.06(D) CB :: 29.19(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 :: 8.18(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 :: 123.91(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E273 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.14 K 0.14 W 0.12 E 0.12 R 0.11 C 0.11 M 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 176.3(D) CA :: 55.99(D) CB :: 29.27(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 :: 8.35(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 :: 124.42(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T274 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.2 CA :: 60.76(D) CB :: 69.32(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 :: 8.04(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 :: 117.3(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S275 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.37 CA :: 57.9(D) CB :: 63.13 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3(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 :: 120.77(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E276 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 H 0.13 W 0.12 E 0.11 C 0.11 R 0.1 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 175.99 CA :: 56.06(D) CB :: 28.94 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 :: 8.44(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.43(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D277 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 N 0.23 L 0.15 F 0.09 Y 0.08 C 0.06 K 0.02 C Shift Assignments>> C :: 176.21(D) CA :: 53.89(D) CB :: 40.32(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 :: 8.28(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 :: 123.26(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T278 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.25(D) CA :: 61.11(D) CB :: 68.91(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 :: 7.93(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 :: 116.64(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K279 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.18 H 0.16 R 0.15 C 0.14 W 0.09 K 0.09 Q 0.08 E 0.06 HN Overlap>> 1.K169 1.K169 C Shift Assignments>> C :: 174.24 CA :: 53.8(D) CB :: 31.32(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 :: 8.15(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 :: 127.56(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P280 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.26 P 0.23 C 0.22 W 0.08 I 0.07 R 0.02 E 0.02 H 0.02 K 0.01 C Shift Assignments>> C :: 176.65 CA :: 62.16 CB :: 30.88 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.Q281 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 H 0.14 W 0.12 E 0.11 C 0.11 R 0.1 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 176.49(D) CA :: 55.89(D) CB :: 28.98(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 :: 8.49(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 :: 123.35(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T282 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.94 CA :: 60.88(D) CB :: 69.14(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 :: 117.72(D) Ave N Shift Values>> N :: 115.42(4.75) 1.M283 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 L 0.11 N 0.11 A 0.08 M 0.08 H 0.07 Q 0.06 R 0.06 K 0.04 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.72(D) CA :: 54.52(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 :: 8.32(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 :: 125.07(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E284 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.17 R 0.14 C 0.14 K 0.13 H 0.13 W 0.1 E 0.09 Q 0.06 V 0.01 C Shift Assignments>> C :: 175.26(D) CA :: 56.06(D) CB :: 31.71 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 :: 8.33(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.28(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R285 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.14 E 0.14 W 0.14 Q 0.13 C 0.12 K 0.07 M 0.06 C Shift Assignments>> C :: 180.74(D) CA :: 56.69(D) CB :: 30.18(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 :: 7.88(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 :: 129.44(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) ########################################################################### Overall Results: #Consistent: 96 #Clerical: 188 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 227 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 58 Shift Relative Order (SRO) Results: #Consistent: 285 #Suspicious: 0 C Shift Results: #Consistent: 266 #Duplicate: 375 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 42 #Duplicate: 162 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 42 #Duplicate: 163 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V17 C = 175.69(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.7061e-01 1.V17 CA = 61.9(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.3656e-01 1.K18 C = 176.81(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.3226e-01 1.K18 CA = 53.94(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.7125e-01 1.K18 H = 8.64(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.5325e-01 1.K18 N = 128.01(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.4870e-02 1.D19 C = 176.88(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.8386e-01 1.D19 CA = 53.05(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.1916e-01 1.D19 CB = 40.36(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.4822e-01 1.D19 H = 8.45(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.0926e-01 1.D19 N = 124.74(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.8933e-01 1.L20 CA = 52.68(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.6750e-01 1.L20 CB = 40.01(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.2118e-01 1.L20 H = 8.82(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.6404e-01 1.L20 N = 127.74(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3163e-01 1.P21 CA = 63.04(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.4869e-01 1.G22 C = 174.3(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.1908e-01 1.G22 CA = 44.47(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.1136e-01 1.G22 H = 8.37(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.5093e-01 1.G22 N = 113.96(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.6763e-01 1.A23 C = 177.16(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.8539e-01 1.A23 CA = 52.69(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.2021e-01 1.A23 CB = 18.44(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.5544e-01 1.A23 H = 7.52(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.5707e-01 1.A23 N = 124.98(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.2106e-01 1.G24 C = 171.11(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.4208e-01 1.G24 CA = 42.6(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.0146e-02 1.G24 H = 8.34(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.8773e-01 1.G24 N = 112.49(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.6620e-01 1.L26 C = 175.57(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.7327e-01 1.L26 CA = 54.79(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.9678e-01 1.L26 CB = 41.45(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.4735e-01 1.L26 H = 8.67(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.9845e-01 1.L26 N = 123.66(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.4441e-01 1.R27 C = 175.13(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.2834e-01 1.R27 CA = 53.84(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.0466e-01 1.R27 CB = 27.14(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.1732e-02 1.R27 H = 9.41(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.5107e-02 1.R27 N = 132.53(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.4351e-03 1.F28 C = 175.02(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.4069e-01 1.F28 CA = 59.17(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.7147e-01 1.F28 CB = 38.18(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.8647e-01 1.F28 H = 8.28(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.1153e-01 1.F28 N = 129.91(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.3626e-02 1.Q29 C = 173.67(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.7579e-01 1.Q29 CA = 55.48(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.1051e-01 1.Q29 H = 8.46(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.8417e-01 1.Q29 N = 130.99(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.0470e-03 1.K30 CA = 55.07(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.9280e-01 1.K30 H = 7.83(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.4851e-01 1.K30 N = 119.21(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.2550e-01 1.G31 C = 173.57(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.7322e-01 1.G31 CA = 46.8(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.7921e-01 1.G31 H = 9.47(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.9457e-02 1.G31 N = 115.39(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.3940e-01 1.R32 C = 176.09(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.7474e-01 1.R32 CA = 55.09(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.6706e-01 1.R32 CB = 30.56(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.3902e-01 1.R32 H = 8.8(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.5860e-01 1.R32 N = 126.39(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.2876e-01 1.I33 C = 174.53(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.9177e-01 1.I33 CA = 59.93(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.3075e-01 1.I33 CB = 40.59(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.3190e-01 1.I33 H = 8.83(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.1862e-01 1.I33 N = 130.58(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.3102e-02 1.E34 C = 174.08(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.5250e-01 1.E34 CA = 54.3(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.4846e-01 1.E34 CB = 33.18(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.5326e-02 1.E34 H = 9.2(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.4033e-01 1.E34 N = 127.56(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.7716e-02 1.F35 C = 175.02(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.4069e-01 1.F35 CA = 56(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.1832e-01 1.F35 CB = 38.17(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.8386e-01 1.F35 H = 9.03(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.5208e-01 1.F35 N = 128.94(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.2245e-02 1.E36 C = 172.71(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.2897e-02 1.E36 CA = 54.32(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.5117e-01 1.E36 H = 9.25(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.1892e-01 1.E36 N = 129.03(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.6292e-02 1.N37 CA = 54.05(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.8618e-01 1.N37 CB = 37.61(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.2279e-01 1.N37 H = 8.93(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.4901e-01 1.N37 N = 125.71(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.2495e-02 1.V38 C = 176.74(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.5554e-01 1.V38 CA = 64.39(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.0648e-01 1.V38 H = 8.6(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.4359e-01 1.V38 N = 121.7(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.0183e-01 1.H39 CA = 53.94(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.6404e-01 1.H39 H = 8.24(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.0000e+00 1.H39 N = 126.38(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.4426e-02 1.Q50 CA = 54.08(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.4461e-01 1.Q50 H = 8.8(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.2558e-01 1.Q50 N = 124.74(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.7791e-01 1.D51 C = 173.8(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.3735e-01 1.V52 CA = 63.48(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.2923e-01 1.V52 H = 8.96(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.1731e-01 1.V52 N = 123.39(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.2018e-01 1.S53 C = 173.09(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.7372e-01 1.S53 CA = 55.97(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.8401e-01 1.S53 H = 7.88(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.9779e-01 1.S53 N = 125.61(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.0357e-03 1.F54 C = 172.66(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.6546e-01 1.F54 CA = 57.25(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.4673e-01 1.F54 CB = 38.76(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.5619e-01 1.F54 H = 8.43(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.2255e-01 1.F54 N = 119.46(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.1278e-01 1.T55 C = 173.43(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.2825e-01 1.T55 CA = 60.91(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.1300e-01 1.T55 CB = 71.51(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.7482e-01 1.T55 H = 8.86(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.1731e-01 1.T55 N = 118.44(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.2491e-01 1.V56 C = 174.85(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.8528e-01 1.V56 CA = 60.88(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.7348e-01 1.V56 CB = 32.4(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.5373e-01 1.V56 H = 9.65(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.2372e-02 1.V56 N = 129.76(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.7607e-02 1.M57 C = 172.87(D), Expected = 176.18, Std = 2.0900, ChiSquare = 1.1325e-01 1.M57 CA = 52(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.5322e-02 1.M57 H = 8.14(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.4148e-01 1.M57 N = 126.79(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.0552e-02 1.G59 C = 173.82(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.7878e-01 1.G59 CA = 44.59(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.7060e-01 1.Q60 C = 174.58(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.7498e-01 1.Q60 CA = 55.25(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.3735e-01 1.Q60 CB = 29.37(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.2122e-01 1.Q60 H = 7.93(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.2305e-01 1.Q60 N = 121.72(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.1122e-01 1.T61 C = 173.69(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.2913e-01 1.T61 CA = 61.3(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.2243e-01 1.T61 CB = 70.33(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.1280e-01 1.T61 H = 9.24(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.0677e-01 1.T61 N = 116.33(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.4807e-01 1.L62 C = 173.59(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.5948e-02 1.L62 CA = 52.24(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.1255e-01 1.L62 CB = 43.97(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.7725e-01 1.L62 H = 9(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.3617e-01 1.L62 N = 132.79(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.0698e-03 1.A63 C = 174.51(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.2941e-01 1.A63 CA = 48.68(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.4289e-02 1.A63 CB = 21.34(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.0294e-01 1.A63 H = 8.91(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.3668e-01 1.A63 N = 130.28(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.6423e-02 1.L64 C = 174.66(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.3929e-01 1.L64 CA = 52.58(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.5351e-01 1.L64 CB = 42.34(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.8727e-01 1.L64 H = 9.02(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.2422e-01 1.L64 N = 124.47(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.0335e-01 1.V65 CA = 57.47(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.9218e-02 1.V65 H = 8.56(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.8696e-01 1.V65 N = 116.58(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.1518e-01 1.Y83 C = 174.6(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.8768e-01 1.D84 C = 176.42(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.9088e-01 1.D84 CA = 53.51(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.6105e-01 1.D84 H = 8.61(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.0499e-01 1.D84 N = 121.87(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.5196e-01 1.I85 C = 175.89(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.8338e-01 1.I85 CA = 61.01(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.2285e-01 1.I85 H = 8.04(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.2413e-01 1.I85 N = 115.18(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.4230e-01 1.S86 C = 174.83(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.0283e-01 1.S86 CA = 59.54(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.9200e-01 1.S86 H = 8.62(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.6443e-01 1.S86 N = 119.02(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.3633e-01 1.S87 C = 172.33(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.8306e-01 1.S87 CA = 57.87(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.8135e-01 1.S87 CB = 63.46(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.1830e-01 1.S87 H = 7.72(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.4254e-01 1.S87 N = 115.7(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.6912e-01 1.G88 C = 173.79(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.6606e-01 1.G88 CA = 44.14(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.6653e-01 1.G88 H = 8.34(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.8773e-01 1.G88 N = 111.56(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.2529e-01 1.C89 C = 171.34(D), Expected = 174.95, Std = 2.0700, ChiSquare = 8.1166e-02 1.C89 CA = 58.6(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.2822e-01 1.C89 CB = 29.98(D), Expected = 32.49, Std = 6.0100, ChiSquare = 6.7621e-01 1.C89 H = 8.27(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.5786e-01 1.C89 N = 121.3(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.0759e-01 1.I90 C = 174.3(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.1950e-01 1.I90 CA = 59.69(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.7373e-01 1.I90 H = 8.8(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.4445e-01 1.I90 N = 131.29(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.1634e-02 1.R91 C = 176.54(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.4894e-01 1.R91 CA = 52.83(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.8077e-02 1.R91 CB = 34.51(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.7345e-02 1.R91 H = 9.09(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.6349e-01 1.R91 N = 125.36(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.1530e-01 1.I92 C = 175.36(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.9856e-01 1.I92 CA = 59.21(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.7051e-01 1.I92 CB = 39.9(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.2954e-01 1.I92 H = 8.17(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.7149e-01 1.I92 N = 122.77(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.5955e-01 1.D93 C = 176.97(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.4464e-01 1.D93 CA = 55.77(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.9471e-01 1.D93 CB = 39.4(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.6094e-01 1.D93 H = 9.55(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.2522e-02 1.D93 N = 130.09(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.4461e-02 1.G94 C = 173.76(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5334e-01 1.G94 CA = 44.77(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.6513e-01 1.G94 H = 9.21(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.7579e-01 1.G94 N = 105.59(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.9176e-01 1.Q95 C = 174(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.3617e-01 1.Q95 CA = 54.29(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.8669e-01 1.Q95 CB = 29.31(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.4743e-01 1.Q95 H = 7.91(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.9929e-01 1.Q95 N = 125.19(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.4096e-01 1.D96 C = 179.25(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.0340e-01 1.D96 CA = 52.86(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.6733e-01 1.D96 H = 8.34(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.5875e-01 1.D96 N = 126.76(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.1344e-01 1.I97 CA = 64.03(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.6653e-01 1.I97 CB = 36.23(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.3479e-01 1.I97 H = 8.71(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.2716e-01 1.I97 N = 125.96(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.9307e-01 1.Q99 C = 174.77(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.2968e-01 1.Q99 CA = 54.56(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.4760e-01 1.Q99 H = 7.77(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.4564e-01 1.Q99 N = 121.9(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.7662e-01 1.V100 C = 177.5(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.2243e-01 1.V100 CA = 57.47(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.9218e-02 1.V100 CB = 33.81(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.4627e-01 1.V100 H = 6.68(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.6262e-02 1.V100 N = 111.84(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.0515e-02 1.T101 CA = 60.27(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.5151e-01 1.T101 H = 8.27(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.6141e-01 1.T101 N = 116.89(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.5696e-01 1.Q102 C = 178.26(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.1731e-01 1.Q102 CA = 58.9(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.7625e-01 1.Q102 H = 10.41(S), Expected = 8.22, Std = 0.5900, ChiSquare = 2.0574e-04 1.Q102 N = 130.93(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.1646e-03 1.A103 C = 180.72(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.6179e-01 1.A103 CA = 54.41(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.2125e-01 1.A103 H = 9.21(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2311e-02 1.A103 N = 122.16(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.6245e-01 1.S104 CA = 60.24(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.6277e-01 1.S104 H = 7.38(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.2715e-01 1.S104 N = 115.91(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.1629e-01 1.L105 CA = 58.04(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.5589e-01 1.L105 H = 7.61(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.4016e-01 1.L105 N = 128.03(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1364e-01 1.R106 CA = 58.36(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.9126e-01 1.R106 H = 7.8(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.7072e-01 1.R106 N = 114.74(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.9612e-02 1.S107 C = 174.19(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.0259e-01 1.H108 C = 172.82(D), Expected = 175.25, Std = 1.9700, ChiSquare = 2.1739e-01 1.H108 CA = 56.5(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.9309e-01 1.H108 H = 6.93(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.4046e-02 1.H108 N = 119.86(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.6610e-01 1.I109 H = 7.12(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.8030e-02 1.I109 N = 120.26(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.7919e-01 1.Q114 CA = 58.51(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.6465e-01 1.D115 CA = 56.66(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.3183e-01 1.D115 H = 8.09(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.0446e-01 1.D115 N = 120.42(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.5249e-01 1.N120 CA = 52.83(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.0568e-01 1.D121 CA = 51.9(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.6932e-01 1.D121 CB = 44.02(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.2590e-02 1.D121 H = 8.02(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.1707e-01 1.D121 N = 129.16(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.7478e-02 1.T122 C = 178.43(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.7089e-02 1.T122 CA = 61.74(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.5297e-01 1.T122 H = 9.87(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.5628e-03 1.T122 N = 112.54(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.4431e-01 1.I123 CA = 62.17(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.3448e-01 1.I123 H = 8.81(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.3574e-01 1.I123 N = 124(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.5287e-01 1.D125 CA = 57.25(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.0728e-01 1.D125 H = 8.26(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.3130e-01 1.D125 N = 119.63(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.9159e-01 1.R131 C = 174.85(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.4221e-01 1.V132 CA = 64.73(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.3350e-01 1.V132 H = 8.14(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.2285e-01 1.V132 N = 124.61(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.4468e-01 1.T133 CA = 60.63(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.3928e-01 1.T133 H = 7.01(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.7270e-02 1.T133 N = 109.22(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.9180e-01 1.A134 CA = 52.16(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.2064e-01 1.A134 CB = 19.4(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.3124e-01 1.A134 H = 8.15(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.3359e-01 1.A134 N = 127.77(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.9967e-01 1.G135 CA = 43.27(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.2060e-01 1.G135 H = 8.88(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.9747e-01 1.G135 N = 112.39(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.8215e-01 1.D137 C = 178.73(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.8305e-01 1.D137 CA = 56.04(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.0603e-01 1.E138 C = 179.17(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.3820e-01 1.E138 CA = 58.45(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.8874e-01 1.E138 H = 7.41(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.1892e-01 1.E138 N = 124.56(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.6365e-01 1.V139 C = 176.75(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.5202e-01 1.V139 CA = 66.62(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4872e-01 1.V139 H = 7.83(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.9236e-01 1.V139 N = 124.14(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.0875e-01 1.E140 C = 178.73(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.4016e-01 1.E140 CA = 58.33(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.2892e-01 1.E140 CB = 27.92(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.2432e-01 1.E140 H = 7.84(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.0625e-01 1.E140 N = 121.25(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.6763e-01 1.A141 C = 181.2(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.0429e-01 1.A141 CA = 54.32(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.5120e-01 1.A141 CB = 17.02(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.7685e-01 1.A141 H = 7.74(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.4328e-01 1.A141 N = 122.83(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.1004e-01 1.A142 C = 179.05(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.3854e-01 1.A142 CA = 54.54(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.7952e-01 1.A142 CB = 17.22(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.2800e-01 1.A142 H = 8.04(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8973e-01 1.A142 N = 125.61(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.0138e-01 1.A143 C = 180.93(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.3422e-01 1.A143 CA = 54.63(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.5174e-01 1.A143 CB = 18.77(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.9566e-01 1.A143 H = 8.52(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.9380e-01 1.A143 N = 122.58(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.5431e-01 1.Q144 C = 179.73(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.9457e-02 1.Q144 CA = 58.34(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.0818e-01 1.Q144 H = 8.77(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.5123e-01 1.Q144 N = 122.37(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.9089e-01 1.A145 C = 179.14(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.1100e-01 1.A145 CA = 54.3(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.5797e-01 1.A145 CB = 17.73(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.8427e-01 1.A145 H = 8.02(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6418e-01 1.A145 N = 126.61(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.3968e-01 1.A146 C = 176.75(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.4208e-01 1.A146 CA = 51.59(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.3373e-01 1.A146 H = 8.05(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0259e-01 1.A146 N = 119.91(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.4832e-01 1.G147 C = 174.75(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.3972e-01 1.G147 CA = 45.82(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.2578e-01 1.G147 H = 7.65(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.9549e-01 1.G147 N = 107.47(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.6971e-01 1.I148 C = 173.6(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.4125e-01 1.I148 CA = 57.5(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.2513e-01 1.I148 H = 8.27(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.8827e-01 1.I148 N = 117.53(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.5850e-01 1.H149 CA = 59.51(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.9554e-01 1.H149 H = 7.05(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.0118e-02 1.H149 N = 126.78(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.6312e-02 1.D150 C = 178.64(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.0054e-01 1.D150 CA = 56.95(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.6558e-01 1.D150 H = 8.3(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.8624e-01 1.D150 N = 118.69(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.1161e-01 1.A151 C = 179.27(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.7257e-01 1.A151 CA = 53.77(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.5035e-01 1.A151 CB = 16.63(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.9341e-01 1.A151 H = 7.52(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.5707e-01 1.A151 N = 124.85(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.4722e-01 1.I152 C = 178.26(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.0940e-01 1.I152 CA = 62.93(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.2234e-01 1.I152 H = 7.21(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.1560e-01 1.I152 N = 120.41(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.0620e-01 1.M153 C = 177.54(D), Expected = 176.18, Std = 2.0900, ChiSquare = 5.1523e-01 1.M153 CA = 54.39(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.4053e-01 1.M153 H = 7.6(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.7133e-01 1.M153 N = 116.77(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.5239e-01 1.A154 C = 178.6(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.8639e-01 1.A154 CA = 51.15(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.1487e-01 1.A154 CB = 17.73(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.8427e-01 1.A154 H = 6.92(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.2897e-02 1.A154 N = 122.36(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.0587e-01 1.F155 C = 176.84(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.7549e-01 1.F155 CA = 52.82(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.0688e-02 1.F155 CB = 35.83(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.6544e-02 1.F155 H = 7.66(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.3094e-01 1.F155 N = 124.41(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.4345e-01 1.E157 C = 177.61(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.0433e-01 1.E157 CA = 54.13(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.2693e-01 1.E157 H = 7.61(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.2234e-01 1.E157 N = 114.39(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.1138e-02 1.G158 C = 178.07(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.5480e-02 1.G158 CA = 45.89(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.8696e-01 1.G158 H = 7.59(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.5493e-01 1.G158 N = 111.14(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.0406e-01 1.Y159 C = 175.63(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.0799e-01 1.Y159 CA = 62.15(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.0925e-01 1.Y159 H = 9.39(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.4272e-01 1.Y159 N = 128.88(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.6539e-02 1.R160 C = 175.15(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.3480e-01 1.R160 CA = 55.12(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.7505e-01 1.R160 H = 7.88(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.5508e-01 1.R160 N = 118.25(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.8835e-01 1.T161 C = 174.17(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.3349e-01 1.T161 CA = 64.38(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.0429e-01 1.T161 H = 7.42(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.8597e-01 1.T161 N = 119.67(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.7093e-01 1.Q162 C = 176.17(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.4277e-01 1.Q162 CA = 55.79(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.1549e-01 1.Q162 CB = 26.86(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.0047e-01 1.Q162 H = 8.84(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.9333e-01 1.Q162 N = 129.7(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.4301e-03 1.V163 C = 174.38(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.1399e-01 1.V163 CA = 59.43(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.8465e-01 1.V163 CB = 32.53(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.1104e-01 1.V163 H = 8.15(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.3448e-01 1.V163 N = 121.24(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.8243e-01 1.G164 C = 175.27(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.5646e-01 1.G164 CA = 43.3(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.2605e-01 1.G164 H = 7.96(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.6920e-01 1.G164 N = 108.26(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.1560e-01 1.E165 CA = 58.41(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.0200e-01 1.E165 H = 8.28(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.3246e-01 1.E165 N = 123.61(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.9821e-01 1.R166 C = 175.84(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.7887e-01 1.R166 CA = 55.01(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.4612e-01 1.G167 C = 172.41(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.3740e-01 1.G167 CA = 43.24(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.1534e-01 1.G167 H = 7.27(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.0294e-01 1.G167 N = 111(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.3109e-01 1.L168 C = 176.02(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.2421e-01 1.L168 CA = 54.88(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.2828e-01 1.L168 CB = 41.28(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.8378e-01 1.L168 H = 8.14(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.8988e-01 1.L168 N = 127.96(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1779e-01 1.K169 C = 175.84(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.8916e-01 1.K169 CA = 55.12(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.0551e-01 1.K169 H = 8.17(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.7341e-01 1.K169 N = 127.55(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.4683e-02 1.L170 C = 176.97(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.9194e-01 1.L170 CA = 53.35(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8655e-01 1.L170 H = 7.94(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5549e-01 1.L170 N = 128.33(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.7121e-02 1.S171 CA = 56.82(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.5868e-01 1.S171 H = 9.19(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.2298e-01 1.S171 N = 120.81(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.9812e-01 1.E174 C = 178.72(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.4276e-01 1.K175 C = 178.78(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.8462e-01 1.K175 CA = 60.77(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.2500e-02 1.K175 H = 8.6(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.9440e-01 1.K175 N = 120.46(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.7564e-01 1.Q176 C = 178.9(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.8411e-01 1.R177 CA = 59.68(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.0776e-01 1.R177 H = 7.76(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.3135e-01 1.R177 N = 120.1(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.4914e-01 1.V178 C = 177.34(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.6533e-01 1.V178 CA = 67.01(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.1401e-01 1.V178 H = 8.09(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.6532e-01 1.V178 N = 123.84(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.5203e-01 1.A179 CA = 55.22(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.9349e-01 1.A179 H = 7.78(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.8393e-01 1.A179 N = 124.22(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7974e-01 1.I180 C = 176.9(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.8446e-01 1.A181 C = 178.67(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.6239e-01 1.A181 CA = 54.98(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.5274e-01 1.A181 H = 8.57(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3745e-01 1.A181 N = 125.73(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.8005e-01 1.R182 CA = 59.15(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.0287e-01 1.R182 H = 8.59(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.6612e-01 1.R182 N = 117.94(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.3706e-01 1.K186 C = 175.44(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.4851e-01 1.A187 C = 173.75(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.1036e-02 1.A187 CA = 51.66(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.5478e-01 1.A187 H = 8.1(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6763e-01 1.A187 N = 120.45(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.3227e-01 1.G189 C = 173.27(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.4961e-01 1.G189 CA = 45.27(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5239e-01 1.I190 CA = 58.88(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.0837e-01 1.I190 H = 7.82(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.9874e-01 1.I190 N = 122.51(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.0620e-01 1.I191 C = 173.2(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.6752e-01 1.I191 CA = 57.99(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.7678e-01 1.I191 H = 9.1(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.2786e-01 1.I191 N = 129.47(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.1277e-02 1.L192 C = 174.78(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.6435e-01 1.L192 CA = 51.72(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.7103e-02 1.L192 H = 8.75(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.2371e-01 1.L192 N = 126.84(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.0163e-01 1.L193 CA = 52.61(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.5761e-01 1.L193 H = 8.99(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.4231e-01 1.L193 N = 126.22(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.6359e-01 1.Q209 C = 178.56(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.4856e-01 1.A210 CA = 54.31(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.5458e-01 1.A210 H = 7.85(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.5967e-01 1.A210 N = 123.78(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.7653e-01 1.S211 CA = 61.78(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.3934e-01 1.S211 H = 7.76(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.7813e-01 1.S211 N = 117.87(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.5148e-01 1.K214 C = 178.9(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.5848e-01 1.K214 CA = 58.02(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.2671e-01 1.V215 CA = 63.82(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.4191e-01 1.V215 CB = 31.26(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.1152e-01 1.V215 H = 7.57(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.8254e-01 1.V215 N = 120.6(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.0532e-01 1.A217 C = 177.74(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.0000e+00 1.N218 CA = 54.05(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.8618e-01 1.N218 H = 8.86(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.0915e-01 1.N218 N = 117.09(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.4798e-01 1.T220 C = 172.88(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.4559e-01 1.T220 CA = 63.41(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.4590e-01 1.T221 C = 173.41(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.2084e-01 1.T221 CA = 61.45(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.6624e-01 1.T221 H = 8.87(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.0957e-01 1.T221 N = 127.96(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.2906e-03 1.I222 CA = 59.3(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.8872e-01 1.I222 H = 8.66(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.7628e-01 1.I222 N = 126.71(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.1996e-01 1.V223 CA = 58.2(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.3361e-01 1.V223 H = 9.12(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.1542e-01 1.V223 N = 127.91(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.3591e-01 1.V224 CA = 61.21(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.5448e-01 1.A225 CA = 50.48(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.7913e-01 1.A225 H = 7.87(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.8232e-01 1.A225 N = 130.54(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.8926e-02 1.N233 C = 175.29(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.9109e-01 1.N233 CA = 51.91(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.8593e-01 1.A234 CA = 52.87(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.9153e-01 1.A234 H = 7.82(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.2652e-01 1.A234 N = 126.53(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.5123e-01 1.D235 C = 175.7(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.8916e-01 1.D235 CA = 57.12(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.3129e-01 1.Q236 C = 171.54(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.4439e-02 1.Q236 CA = 55.24(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.3427e-01 1.Q236 CB = 32.19(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.9280e-02 1.Q236 H = 7.46(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.9770e-01 1.Q236 N = 115.94(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.7254e-01 1.I237 CA = 59.97(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.4058e-01 1.I237 CB = 38.47(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.3687e-01 1.I237 H = 8.55(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.9132e-01 1.I237 N = 128.87(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.3397e-02 1.L238 CA = 52.43(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.3422e-01 1.L238 H = 8.91(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.9549e-01 1.L238 N = 126.78(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.0711e-01 1.V239 C = 174.69(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.2451e-01 1.V239 CA = 59.88(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.6146e-01 1.V239 CB = 30.41(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.9494e-01 1.V239 H = 8.36(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.1679e-01 1.V239 N = 124.88(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.1006e-01 1.I240 CA = 57.58(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3265e-01 1.I240 CB = 37.23(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.8827e-01 1.I240 H = 9.22(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.6686e-01 1.I240 N = 131.67(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.7055e-02 1.D242 CA = 55.18(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.0926e-01 1.D242 H = 9.35(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.2957e-02 1.D242 N = 129.53(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.1419e-02 1.G243 C = 172.34(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.1574e-01 1.C244 C = 173.86(D), Expected = 174.95, Std = 2.0700, ChiSquare = 5.9849e-01 1.C244 CA = 55.61(D), Expected = 58.30, Std = 3.3300, ChiSquare = 4.1920e-01 1.C244 CB = 30.58(D), Expected = 32.49, Std = 6.0100, ChiSquare = 7.5063e-01 1.C244 H = 7.53(D), Expected = 8.39, Std = 0.6700, ChiSquare = 1.9929e-01 1.C244 N = 116.92(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.8366e-01 1.I245 C = 177.09(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.1839e-01 1.I245 CA = 60.63(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.1461e-01 1.I245 H = 9(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.8968e-01 1.I245 N = 124.2(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.2205e-01 1.V246 C = 176.06(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.1687e-01 1.V246 CA = 61.73(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.9044e-01 1.V246 H = 8.99(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.9613e-01 1.V246 N = 126.24(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.6129e-01 1.E247 C = 173.35(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.1055e-02 1.E247 CA = 54.84(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.3538e-01 1.E247 CB = 33.54(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.0138e-02 1.E247 H = 7.5(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.5949e-01 1.E247 N = 120.72(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.8854e-01 1.R248 C = 174.44(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.3183e-01 1.R248 CA = 53.77(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.9405e-01 1.R248 CB = 33.34(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.4913e-01 1.R248 H = 8.27(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.6078e-01 1.R248 N = 118.72(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.7193e-01 1.G249 C = 171.31(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.7329e-01 1.G249 CA = 44.51(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.3075e-01 1.G249 H = 8.57(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.1196e-01 1.G249 N = 111.43(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.4927e-01 1.R250 C = 176.03(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.5151e-01 1.R250 CA = 55.13(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.7773e-01 1.R250 CB = 30.83(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.4337e-01 1.R250 H = 7.82(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.9112e-01 1.R250 N = 120.67(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.7182e-01 1.H251 C = 175.56(D), Expected = 175.25, Std = 1.9700, ChiSquare = 8.7496e-01 1.H251 CA = 60.12(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.1913e-01 1.H251 H = 8.7(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.9874e-01 1.H251 N = 123.49(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.4211e-01 1.E252 C = 179(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.7470e-01 1.E252 CA = 59.45(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.0814e-01 1.E252 CB = 27.09(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.9569e-02 1.E252 H = 8.92(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.1731e-01 1.E252 N = 117.24(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.2431e-01 1.A253 C = 180.65(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.7188e-01 1.A253 CA = 53.58(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.2414e-01 1.A253 CB = 18.09(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.1515e-01 1.A253 H = 6.91(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.1555e-02 1.A253 N = 124.24(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7541e-01 1.L254 C = 180.65(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.4532e-02 1.L254 CA = 56.69(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.1542e-01 1.L254 H = 8.09(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.2947e-01 1.L254 N = 122.13(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.4481e-01 1.L255 C = 179.92(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.3893e-01 1.L255 CA = 57.25(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.4412e-01 1.L255 CB = 40.08(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.3555e-01 1.L255 H = 8.17(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.2645e-01 1.L255 N = 122.63(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4349e-01 1.S256 C = 175.28(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.0119e-01 1.S256 CA = 60.14(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.9272e-01 1.S256 CB = 62.9(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.4312e-01 1.S256 H = 7.44(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.5452e-01 1.S256 N = 116.3(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.9547e-01 1.R257 C = 178.41(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.2452e-01 1.R257 CA = 56.73(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.8618e-01 1.R257 CB = 29.52(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.1905e-01 1.R257 H = 7.34(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.4010e-01 1.R257 N = 121.56(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.3638e-01 1.G258 C = 173.94(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.7030e-01 1.G258 CA = 46.32(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.6914e-01 1.G258 H = 7.25(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6605e-02 1.G258 N = 106.23(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.7406e-01 1.G259 C = 173.87(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.0000e+00 1.G259 CA = 43.62(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.9669e-01 1.G259 H = 8.35(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.7545e-01 1.G259 N = 113.43(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.3126e-01 1.V260 H = 9.58(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.4183e-02 1.V260 N = 129.68(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.9964e-02 1.Y261 CA = 61.78(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.4590e-01 1.Y261 H = 9.27(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.9313e-01 1.Y261 N = 124.5(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.4332e-01 1.A262 C = 179.84(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.2417e-01 1.A262 CA = 54.46(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.0499e-01 1.D263 C = 178.89(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.5478e-01 1.D263 CA = 56.8(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.9861e-01 1.D263 H = 8.16(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.9593e-01 1.D263 N = 121.65(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.9558e-01 1.M264 CA = 58.91(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.0926e-01 1.M264 H = 8.09(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.7692e-01 1.M264 N = 122.63(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.7678e-01 1.W265 C = 178.18(D), Expected = 176.12, Std = 2.0100, ChiSquare = 3.0542e-01 1.Q266 C = 178.87(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.8924e-01 1.Q266 CA = 57.91(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.3120e-01 1.Q266 H = 8.09(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.2561e-01 1.Q266 N = 119.66(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.4906e-01 1.L267 CA = 56.81(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.7638e-01 1.L267 H = 7.64(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.6404e-01 1.L267 N = 122.05(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.6114e-01 1.Q268 C = 177.46(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.5536e-01 1.Q268 CA = 57.08(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.1163e-01 1.Q268 H = 7.67(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.5123e-01 1.Q268 N = 118.88(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.7905e-01 1.Q269 C = 177.2(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.4809e-01 1.Q269 CA = 55.72(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.9122e-01 1.Q269 CB = 27.79(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.4176e-01 1.Q269 H = 7.79(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.6612e-01 1.Q269 N = 120.3(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.0933e-01 1.G270 C = 174.22(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.5231e-01 1.G270 CA = 44.94(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.5963e-01 1.G270 H = 7.74(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.6404e-01 1.G270 N = 109.78(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.7732e-01 1.Q271 C = 175.97(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.6158e-01 1.Q271 CA = 55.17(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.1298e-01 1.Q271 CB = 28.21(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.9026e-01 1.Q271 H = 7.81(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.8711e-01 1.Q271 N = 121.46(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.6276e-01 1.E272 C = 176.45(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.2947e-01 1.E272 CA = 56.06(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.4659e-01 1.E272 CB = 29.19(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.3354e-01 1.E272 H = 8.18(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.9931e-01 1.E272 N = 123.91(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.5184e-01 1.E273 C = 176.3(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.7005e-01 1.E273 CA = 55.99(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.2454e-01 1.E273 CB = 29.27(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.6703e-01 1.E273 H = 8.35(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7296e-01 1.E273 N = 124.42(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.8122e-01 1.T274 CA = 60.76(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.7295e-01 1.T274 CB = 69.32(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.0140e-01 1.T274 H = 8.04(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.4701e-01 1.T274 N = 117.3(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.9226e-01 1.S275 CA = 57.9(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.9200e-01 1.S275 H = 8.3(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.7296e-01 1.S275 N = 120.77(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.0211e-01 1.E276 CA = 56.06(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.4659e-01 1.E276 H = 8.44(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.5210e-01 1.E276 N = 125.43(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.7137e-01 1.D277 C = 176.21(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.1354e-01 1.D277 CA = 53.89(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.9352e-01 1.D277 CB = 40.32(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.2958e-01 1.D277 H = 8.28(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.5875e-01 1.D277 N = 123.26(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.9894e-01 1.T278 C = 174.25(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.6912e-01 1.T278 CA = 61.11(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.6823e-01 1.T278 CB = 68.91(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.1492e-01 1.T278 H = 7.93(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.1707e-01 1.T278 N = 116.64(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.9730e-01 1.K279 CA = 53.8(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.5220e-01 1.K279 CB = 31.32(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.0889e-01 1.K279 H = 8.15(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.4685e-01 1.K279 N = 127.56(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.4205e-02 1.Q281 C = 176.49(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.2645e-01 1.Q281 CA = 55.89(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.5067e-01 1.Q281 CB = 28.98(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.0814e-01 1.Q281 H = 8.49(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.4722e-01 1.Q281 N = 123.35(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.3650e-01 1.T282 CA = 60.88(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.0489e-01 1.T282 CB = 69.14(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.1738e-01 1.T282 H = 8.16(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.9733e-01 1.T282 N = 117.72(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.2824e-01 1.M283 C = 175.72(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.2580e-01 1.M283 CA = 54.52(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.7584e-01 1.M283 H = 8.32(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.2034e-01 1.M283 N = 125.07(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.6303e-01 1.E284 C = 175.26(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.0901e-01 1.E284 CA = 56.06(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.4659e-01 1.E284 H = 8.33(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.0000e+00 1.E284 N = 125.28(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.8527e-01 1.R285 C = 180.74(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.2924e-02 1.R285 CA = 56.69(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.7237e-01 1.R285 CB = 30.18(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.7629e-01 1.R285 H = 7.88(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.5508e-01 1.R285 N = 129.44(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.8883e-02