Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.H1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.53 P 0.35 C 0.09 I 0.01 C Shift Assignments>> C :: 179.282 CA :: 65.452 CB :: 32.118 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.E3 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.18 I 0.17 W 0.13 K 0.11 Q 0.09 E 0.09 R 0.08 H 0.07 L 0.02 C Shift Assignments>> C :: 179.668 CA :: 59.427 CB :: 28.265 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 :: 10.872(S) 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 :: 122.018(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.K36 1.K36 C Shift Assignments>> C :: 175.912 CA :: 64.842 CB :: 67.555 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 :: 7.537(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.076(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.22 L 0.12 C 0.1 D 0.1 K 0.1 I 0.05 N 0.01 C Shift Assignments>> C :: 178.521 CA :: 57.606 CB :: 40.732 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 :: 7.040(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 :: 122.162(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.65 P 0.17 C 0.1 I 0.04 C Shift Assignments>> C :: 178.435 CA :: 66.856 CB :: 31.223 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 :: 7.421(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 :: 119.551(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.15 W 0.15 H 0.14 R 0.14 Q 0.13 C 0.13 M 0.05 K 0.04 I 0.01 HN Overlap>> 1.E253 1.E253 C Shift Assignments>> C :: 177.996 CA :: 57.147 CB :: 30.020 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 :: 7.166(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 :: 120.780(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.61 P 0.13 C 0.12 I 0.11 C Shift Assignments>> C :: 176.692 CA :: 67.038 CB :: 30.684 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 :: 8.370(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 :: 123.665(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 V 0.15 W 0.12 K 0.09 R 0.09 E 0.07 H 0.07 M 0.06 Q 0.03 P 0.01 I 0.01 HN Overlap>> 1.R254 1.R254 C Shift Assignments>> C :: 179.236 CA :: 59.842 CB :: 31.801 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 :: 7.605(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 :: 119.285(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 L 0.18 F 0.15 R 0.12 Y 0.1 D 0.08 C 0.07 I 0.01 C Shift Assignments>> C :: 177.791 CA :: 57.406 CB :: 42.115 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 :: 8.078(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 :: 121.681(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.47 M 0.46 C 0.02 I 0.02 C Shift Assignments>> C :: 179.472 CA :: 54.843 CB :: 18.313 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.657(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.605(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 I 0.18 W 0.16 V 0.08 E 0.07 R 0.05 H 0.05 K 0.04 Q 0.03 P 0.02 M 0.01 HN Overlap>> 1.Q186 1.Q186 C Shift Assignments>> C :: 177.419 CA :: 61.108 CB :: 29.773 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 :: 8.065(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 :: 118.481(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.19 K 0.16 L 0.13 C 0.09 D 0.08 I 0.04 R 0.01 C Shift Assignments>> C :: 178.973 CA :: 57.761 CB :: 41.082 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 :: 8.143(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 :: 120.909(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 I 0.14 W 0.13 K 0.11 Q 0.1 R 0.09 E 0.09 H 0.07 L 0.02 M 0.01 C Shift Assignments>> C :: 180.035 CA :: 59.133 CB :: 28.245 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 :: 8.654(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 :: 117.382(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 L 0.22 R 0.15 F 0.12 D 0.1 Y 0.08 C 0.06 C Shift Assignments>> C :: 180.907 CA :: 56.734 CB :: 42.256 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 :: 8.678(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 :: 115.848(D) Ave N Shift Values>> N :: 121.86(3.9) 1.C16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.52 C 0.15 Y 0.07 D 0.06 F 0.06 E 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 177.313 CA :: 53.381 CB :: 37.622 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.636(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 :: 116.285(D) Ave N Shift Values>> N :: 120.17(4.64) 1.R17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 W 0.16 I 0.16 E 0.1 K 0.08 H 0.07 R 0.07 Q 0.06 V 0.03 M 0.01 C Shift Assignments>> CA :: 60.281 CB :: 29.332 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 :: 8.159(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 :: 126.627(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.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.28 P 0.2 V 0.19 T 0.15 I 0.11 C 0.02 C Shift Assignments>> C :: 176.761 CA :: 64.091 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.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.7 P 0.25 C 0.03 C Shift Assignments>> C :: 176.256 CA :: 53.339 CB :: 62.353 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.116 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 :: 118.349 Ave N Shift Values>> N :: 116.28(3.52) 1.H20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.22 L 0.19 C 0.13 Q 0.12 W 0.07 H 0.07 K 0.05 E 0.05 I 0.03 HN Overlap>> 1.H139 1.H139 C Shift Assignments>> C :: 173.455 CA :: 56.588 CB :: 27.192 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 :: 8.210(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 :: 122.049(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.15 K 0.14 C 0.13 W 0.11 R 0.1 E 0.08 L 0.05 M 0.03 C Shift Assignments>> CA :: 54.053 CB :: 28.788 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 :: 7.664(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 :: 115.553(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.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.37 V 0.34 C 0.14 I 0.11 W 0.02 C Shift Assignments>> C :: 175.967 CA :: 64.556 CB :: 30.606 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.C23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 E 0.22 N 0.19 M 0.1 Y 0.1 F 0.06 K 0.02 D 0.01 I 0.01 Q 0.01 C Shift Assignments>> C :: 173.095 CA :: 54.870 CB :: 36.691 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.909(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 :: 125.512(D) Ave N Shift Values>> N :: 120.17(4.64) 1.R24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.16 C 0.15 R 0.12 H 0.12 Q 0.08 W 0.07 E 0.05 C Shift Assignments>> C :: 176.809 CA :: 54.690 CB :: 32.353 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 :: 8.801(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 :: 122.803(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.V25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 V 0.29 I 0.14 E 0.04 Y 0.03 K 0.02 Q 0.01 M 0.01 F 0.01 P 0.01 C Shift Assignments>> C :: 171.761 CA :: 61.805 CB :: 35.070 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 :: 10.118(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.216(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 G 0.29 R 0.25 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 171.946 CA :: 44.080 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.892(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.187(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.69 L 0.16 C 0.06 R 0.02 F 0.02 Y 0.01 C Shift Assignments>> C :: 173.854 CA :: 56.725 CB :: 45.388 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 :: 9.375(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 :: 124.359(D) Ave N Shift Values>> N :: 120.52(4.2) 1.I28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 K 0.2 Y 0.18 C 0.11 I 0.09 R 0.07 L 0.06 D 0.01 C Shift Assignments>> C :: 170.686 CA :: 59.700 CB :: 41.889 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 :: 7.935(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 :: 126.249(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 C 0.22 Q 0.21 K 0.14 H 0.03 R 0.03 N 0.02 W 0.01 Y 0.01 C Shift Assignments>> C :: 174.898 CA :: 54.061 CB :: 34.456 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 :: 7.649(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 :: 124.691(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.07 C 0.06 C Shift Assignments>> C :: 175.686 CA :: 52.926 CB :: 47.178 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 :: 9.537(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 :: 127.345(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 R 0.27 D 0.12 K 0.1 F 0.06 C 0.04 Y 0.04 G 0.02 C Shift Assignments>> C :: 176.817 CA :: 55.476 CB :: 43.002 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 :: 8.933(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 :: 127.266(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.3 F 0.14 L 0.14 K 0.12 Y 0.09 C 0.09 G 0.03 D 0.02 I 0.02 C Shift Assignments>> C :: 177.445 CA :: 58.693 CB :: 43.000 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 :: 8.078(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 :: 129.819(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.24 F 0.21 C 0.17 N 0.12 D 0.09 L 0.04 I 0.04 E 0.03 M 0.01 C Shift Assignments>> C :: 177.001 CA :: 56.200 CB :: 38.555 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 :: 8.544(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 :: 117.220(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 176.460 CA :: 58.982 CB :: 65.643 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.469(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 :: 113.729(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 172.232 CA :: 45.466 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.814(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.208(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 Q 0.19 K 0.19 C 0.17 R 0.06 H 0.06 W 0.04 E 0.02 V 0.02 HN Overlap>> 1.T4 1.T4 C Shift Assignments>> C :: 175.970 CA :: 56.635 CB :: 33.386 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 :: 7.538(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 :: 120.188(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.54 C 0.22 Y 0.1 F 0.07 V 0.02 E 0.01 C Shift Assignments>> C :: 176.101 CA :: 62.470 CB :: 37.408 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 :: 8.540(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 :: 125.735(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 K 0.21 D 0.19 F 0.11 Y 0.08 R 0.07 C 0.05 N 0.02 C Shift Assignments>> C :: 176.894 CA :: 55.670 CB :: 41.819 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 :: 8.742(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 :: 131.109(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 Q 0.23 C 0.19 K 0.16 H 0.04 R 0.04 W 0.02 E 0.01 C Shift Assignments>> C :: 174.650 CA :: 54.989 CB :: 34.098 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 :: 7.343(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 :: 116.548(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.63 T 0.36 C Shift Assignments>> C :: 171.665 CA :: 58.133 CB :: 66.890 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.905(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 :: 116.480(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.34 F 0.13 L 0.13 C 0.11 G 0.09 Y 0.08 K 0.05 I 0.02 D 0.01 C Shift Assignments>> C :: 172.978 CA :: 59.088 CB :: 43.491 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 :: 9.340(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.107(D) Ave N Shift Values>> N :: 120.45(4.18) 1.R42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 F 0.09 Y 0.09 C 0.09 E 0.09 K 0.08 R 0.07 S 0.06 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 C Shift Assignments>> CA :: 57.715 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 :: 8.762(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 :: 123.233(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.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.51 P 0.37 C 0.1 C Shift Assignments>> C :: 177.246 CA :: 64.998 CB :: 32.422 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.E44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.15 K 0.15 C 0.11 W 0.11 R 0.1 E 0.1 M 0.04 L 0.02 C Shift Assignments>> C :: 175.154 CA :: 54.877 CB :: 28.987 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 :: 8.353(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 :: 116.358(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.15 M 0.13 C 0.12 W 0.11 E 0.1 Q 0.09 K 0.09 C Shift Assignments>> C :: 174.388 CA :: 55.538 CB :: 31.032 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 :: 6.788(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 :: 118.803(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 K 0.14 R 0.14 C 0.14 H 0.13 W 0.09 E 0.07 Q 0.06 C Shift Assignments>> C :: 177.274 CA :: 55.615 CB :: 31.852 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 :: 8.301(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 :: 117.920(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.F47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.12 L 0.12 M 0.1 H 0.08 Q 0.07 R 0.07 N 0.06 K 0.06 C 0.05 W 0.04 A 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> CA :: 55.108 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 :: 8.59(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 :: 117.914(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.23 T 0.21 I 0.17 P 0.15 S 0.09 C 0.04 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 176.274 CA :: 62.568 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.M49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.12 Y 0.11 F 0.11 S 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.05 Q 0.04 M 0.03 I 0.02 L 0.02 V 0.01 T 0.01 C Shift Assignments>> C :: 179.738 CA :: 58.427 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 :: 7.681 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.558 Ave N Shift Values>> N :: 120.09(3.57) 1.M50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Duplicate PRTL>> M 0.11 H 0.1 Q 0.09 R 0.09 L 0.09 K 0.08 E 0.06 W 0.06 C 0.06 F 0.05 D 0.05 Y 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.192 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 :: 10.388(S) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.105(D) Ave N Shift Values>> N :: 120.09(3.57) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.25 T 0.23 P 0.19 I 0.18 C 0.05 F 0.01 Y 0.01 S 0.01 W 0.01 C Shift Assignments>> C :: 175.928 CA :: 62.741 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.T52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.214 CA :: 65.868 CB :: 68.928 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 :: 7.795(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 :: 112.809(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.27 I 0.22 C 0.16 L 0.01 D 0.01 C Shift Assignments>> C :: 176.420 CA :: 59.335 CB :: 39.177 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 :: 7.612(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 :: 117.961(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 W 0.15 V 0.12 R 0.1 E 0.09 H 0.08 K 0.07 M 0.05 Q 0.04 I 0.02 P 0.01 C Shift Assignments>> C :: 177.238 CA :: 59.877 CB :: 31.261 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 :: 7.262(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.914(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.67 P 0.22 C 0.09 C Shift Assignments>> C :: 175.896 CA :: 66.380 CB :: 32.240 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 :: 6.462(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 :: 116.276(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.22 L 0.13 D 0.12 C 0.1 K 0.07 I 0.04 N 0.02 C Shift Assignments>> C :: 177.957 CA :: 57.235 CB :: 40.558 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.477(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.377(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 L 0.19 R 0.14 F 0.14 Y 0.1 D 0.08 C 0.06 I 0.01 C Shift Assignments>> C :: 177.134 CA :: 57.309 CB :: 42.229 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 :: 7.854(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.438(D) Ave N Shift Values>> N :: 121.86(3.9) 1.C58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 C 0.04 I 0.01 HN Overlap>> 1.S264 1.S264 C Shift Assignments>> C :: 175.507 CA :: 63.864 CB :: 44.707 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.303(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 :: 114.376(D) Ave N Shift Values>> N :: 120.17(4.64) 1.G59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.66 C 0.1 P 0.09 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 172.954 CA :: 47.777 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.215(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.549(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.71 A 0.23 I 0.02 C 0.01 C Shift Assignments>> C :: 180.799 CA :: 54.867 CB :: 16.500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.630(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.194(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.71 P 0.16 C 0.09 I 0.01 HN Overlap>> 1.N117 1.N117 C Shift Assignments>> C :: 177.880 CA :: 66.916 CB :: 31.854 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 :: 7.836(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 :: 120.389(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.24 C 0.11 L 0.1 K 0.08 D 0.07 I 0.07 HN Overlap>> 1.K249 1.K249 C Shift Assignments>> C :: 178.105 CA :: 58.006 CB :: 40.652 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 :: 8.449(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.457(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.854 CA :: 61.722 CB :: 62.604 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.919(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 :: 115.939(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.17 E 0.13 R 0.11 H 0.1 Q 0.08 K 0.07 I 0.05 V 0.03 M 0.03 C Shift Assignments>> C :: 179.178 CA :: 59.248 CB :: 30.004 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 :: 7.369(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 :: 122.739(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.I65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.63 C 0.21 V 0.06 Y 0.04 F 0.03 HN Overlap>> 1.D214 1.D214 C Shift Assignments>> C :: 180.672 CA :: 64.123 CB :: 37.045 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 :: 8.079(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 :: 124.845(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.21 L 0.14 D 0.12 C 0.1 K 0.08 I 0.04 N 0.02 HN Overlap>> 1.L120 1.R248 1.L120 1.R248 C Shift Assignments>> C :: 177.757 CA :: 57.230 CB :: 40.626 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 :: 8.965(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 :: 124.890(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 M 0.09 C 0.01 HN Overlap>> 1.E70 1.E70 C Shift Assignments>> C :: 177.890 CA :: 52.153 CB :: 19.082 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.359(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.287(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.915 CA :: 45.669 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.049(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.376(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 Q 0.14 R 0.14 W 0.12 E 0.12 C 0.11 K 0.09 M 0.06 HN Overlap>> 1.A168 1.A168 C Shift Assignments>> C :: 173.176 CA :: 55.513 CB :: 29.913 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 :: 8.216(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 :: 118.144(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 C 0.21 Q 0.16 K 0.13 H 0.07 R 0.06 W 0.03 P 0.01 E 0.01 HN Overlap>> 1.A67 1.A67 C Shift Assignments>> C :: 172.367 CA :: 52.786 CB :: 33.335 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 :: 7.307(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.315(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 R 0.14 H 0.14 C 0.13 K 0.12 W 0.09 E 0.07 Q 0.07 C Shift Assignments>> C :: 175.699 CA :: 54.929 CB :: 31.636 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.863(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 :: 125.491(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 L 0.16 F 0.16 R 0.15 Y 0.11 C 0.07 D 0.05 I 0.02 C Shift Assignments>> C :: 177.347 CA :: 57.862 CB :: 42.255 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 :: 8.879(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 :: 124.171(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.43 L 0.26 R 0.16 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 173.984 CA :: 44.353 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.155(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.518(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.13 R 0.13 E 0.12 H 0.11 K 0.1 M 0.09 Q 0.06 V 0.03 C Shift Assignments>> C :: 174.710 CA :: 58.127 CB :: 31.251 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 :: 7.035(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 :: 123.006(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.R75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.14 M 0.13 C 0.13 W 0.11 E 0.11 K 0.1 Q 0.08 V 0.01 C Shift Assignments>> C :: 174.416 CA :: 56.387 CB :: 31.275 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 :: 8.416(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 :: 128.376(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.I76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.34 Y 0.24 F 0.21 C 0.17 C Shift Assignments>> C :: 174.456 CA :: 60.429 CB :: 38.907 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 :: 8.973(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 :: 131.307(D) Ave N Shift Values>> N :: 121.46(4.28) 1.H77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.16 C 0.12 W 0.12 Q 0.12 E 0.11 M 0.1 K 0.07 HN Overlap>> 1.A106 1.A106 C Shift Assignments>> C :: 174.053 CA :: 55.278 CB :: 30.612 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 :: 8.347(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 :: 125.339(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.22 F 0.19 C 0.16 N 0.16 D 0.1 L 0.04 E 0.03 I 0.03 M 0.01 C Shift Assignments>> C :: 172.940 CA :: 55.879 CB :: 38.488 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.379(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 :: 121.720(D) Ave N Shift Values>> N :: 120.52(4.2) 1.S79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.59 T 0.4 C Shift Assignments>> C :: 175.626 CA :: 56.867 CB :: 67.167 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.298(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 :: 115.413(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 I 0.15 R 0.13 W 0.12 Q 0.09 K 0.09 E 0.08 H 0.07 L 0.04 C Shift Assignments>> C :: 177.973 CA :: 58.996 CB :: 27.828 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 :: 8.946(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 :: 122.624(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.3 C 0.17 Y 0.15 F 0.12 D 0.07 E 0.07 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 175.549 CA :: 54.897 CB :: 37.865 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 :: 8.091(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 :: 116.203(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 K 0.18 D 0.16 R 0.15 F 0.08 Y 0.05 C 0.04 N 0.01 C Shift Assignments>> C :: 175.553 CA :: 55.529 CB :: 42.353 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.734(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.322(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 D 0.23 K 0.18 F 0.1 Y 0.07 C 0.05 N 0.04 R 0.04 C Shift Assignments>> C :: 177.864 CA :: 55.182 CB :: 41.572 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.988(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.561(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 Q 0.16 K 0.15 M 0.12 V 0.09 E 0.05 R 0.03 W 0.03 H 0.03 Y 0.01 I 0.01 HN Overlap>> 1.I266 1.I266 C Shift Assignments>> C :: 176.657 CA :: 58.822 CB :: 34.067 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 :: 7.664(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.685(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 K 0.17 M 0.12 R 0.1 W 0.09 H 0.08 Q 0.07 E 0.06 V 0.06 C Shift Assignments>> C :: 175.252 CA :: 58.124 CB :: 32.457 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 :: 8.169(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 :: 124.545(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.33 E 0.16 V 0.09 K 0.08 M 0.07 I 0.06 Q 0.06 Y 0.05 F 0.02 W 0.01 C Shift Assignments>> C :: 172.638 CA :: 59.538 CB :: 35.173 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.567(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 :: 121.237(D) Ave N Shift Values>> N :: 120.52(4.2) 1.S87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.R142 1.R142 C Shift Assignments>> CA :: 55.706 CB :: 64.887 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.278(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 :: 120.68(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.45 V 0.38 C 0.11 I 0.01 W 0.01 C Shift Assignments>> C :: 177.669 CA :: 64.109 CB :: 31.722 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.V89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.51 P 0.35 C 0.11 C Shift Assignments>> C :: 179.044 CA :: 64.476 CB :: 32.813 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 :: 8.518(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 :: 119.250(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 181.916(S) CA :: 63.903 CB :: 69.174 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 :: 9.504(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 :: 114.318(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.13 K 0.12 Q 0.11 I 0.11 E 0.1 R 0.09 H 0.08 L 0.02 M 0.01 C Shift Assignments>> C :: 176.423 CA :: 58.753 CB :: 28.331 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 :: 7.991(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 :: 120.647(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 K 0.16 C 0.15 R 0.13 H 0.12 W 0.08 Q 0.06 E 0.06 V 0.01 C Shift Assignments>> C :: 177.171 CA :: 55.741 CB :: 32.190 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 :: 7.313(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 :: 116.947(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.14 H 0.12 R 0.12 C 0.12 W 0.1 L 0.09 E 0.08 M 0.02 I 0.01 C Shift Assignments>> C :: 174.438 CA :: 55.073 CB :: 28.300 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 :: 6.990(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 :: 117.033(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 F 0.2 Y 0.15 L 0.13 C 0.08 R 0.06 D 0.06 I 0.03 C Shift Assignments>> C :: 179.116 CA :: 58.094 CB :: 41.730 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 :: 7.756(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.070(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.544 CA :: 64.316 CB :: 68.716 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 :: 8.180(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.179(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 N 0.27 L 0.13 F 0.09 Y 0.08 C 0.07 K 0.01 C Shift Assignments>> C :: 177.598 CA :: 53.758 CB :: 40.102 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 :: 8.673(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.814(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent 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 :: 171.536 CA :: 44.946 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.761(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.517(D) Ave N Shift Values>> N :: 109.67(3.87) 1.M98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.29 N 0.16 L 0.16 F 0.13 Y 0.11 C 0.07 K 0.02 C Shift Assignments>> C :: 175.008 CA :: 54.781 CB :: 40.234 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 :: 8.155(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 :: 114.223(D) Ave N Shift Values>> N :: 120.09(3.57) 1.T99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.812 CA :: 60.012 CB :: 71.056 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 :: 8.749(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 :: 112.970(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.81 C 0.09 P 0.04 I 0.04 C Shift Assignments>> C :: 177.771 CA :: 68.130 CB :: 31.302 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 :: 7.956(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 :: 122.859(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 W 0.15 V 0.13 R 0.09 E 0.09 H 0.07 K 0.06 M 0.04 Q 0.03 I 0.03 P 0.02 C Shift Assignments>> C :: 177.487 CA :: 60.154 CB :: 31.150 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.758(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.200(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.E102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 C 0.14 E 0.14 H 0.11 Q 0.11 R 0.11 K 0.11 I 0.03 M 0.03 V 0.01 C Shift Assignments>> C :: 180.490 CA :: 58.255 CB :: 29.675 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 :: 7.452(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 :: 118.721(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.21 K 0.13 L 0.12 C 0.1 D 0.07 I 0.05 R 0.01 C Shift Assignments>> C :: 179.021 CA :: 57.966 CB :: 40.963 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 :: 9.023(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 :: 123.746(D) Ave N Shift Values>> N :: 121.86(3.9) 1.C104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.3 F 0.21 C 0.18 Y 0.15 K 0.07 R 0.04 G 0.02 L 0.01 C Shift Assignments>> C :: 175.942 CA :: 62.293 CB :: 42.137 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.018(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 :: 119.659(D) Ave N Shift Values>> N :: 120.17(4.64) 1.S105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 178.970 CA :: 61.251 CB :: 62.332 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.523(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 :: 113.931(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.69 A 0.23 I 0.04 C 0.01 HN Overlap>> 1.H77 1.H77 C Shift Assignments>> C :: 180.191 CA :: 55.401 CB :: 17.207 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.345(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.435(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.65 A 0.29 I 0.03 C 0.01 C Shift Assignments>> C :: 178.266 CA :: 54.981 CB :: 17.186 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.513(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.735(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.26 V 0.22 P 0.17 T 0.17 I 0.12 C 0.02 C Shift Assignments>> C :: 176.407 CA :: 64.813 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 :: 8.021(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.246(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.855 CA :: 65.218 CB :: 70.259 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 :: 8.777(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.194(D) Ave N Shift Values>> N :: 115.42(4.75) 1.M110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 C 0.2 Q 0.15 K 0.13 H 0.08 R 0.07 W 0.04 P 0.01 E 0.01 C Shift Assignments>> C :: 176.152 CA :: 52.860 CB :: 33.160 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 6.570(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 :: 114.783(D) Ave N Shift Values>> N :: 120.09(3.57) 1.S111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.A116 1.A116 C Shift Assignments>> C :: 174.475 CA :: 58.927 CB :: 63.582 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.964(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 :: 115.934(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 R 0.28 G 0.17 C 0.06 D 0.05 F 0.05 Y 0.03 K 0.01 C Shift Assignments>> C :: 176.607 CA :: 56.031 CB :: 44.069 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.295(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 :: 121.863(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.24 F 0.21 C 0.16 N 0.12 D 0.1 L 0.05 I 0.04 E 0.02 M 0.01 C Shift Assignments>> C :: 177.763 CA :: 56.175 CB :: 38.727 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 :: 8.587(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 :: 128.135(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.F132 1.F132 C Shift Assignments>> C :: 176.412 CA :: 67.980 CB :: 67.111 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 :: 7.634(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.209(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.48 A 0.44 I 0.03 C 0.03 HN Overlap>> 1.A228 1.A228 C Shift Assignments>> C :: 178.308 CA :: 55.108 CB :: 18.431 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.804(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.439(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.66 M 0.27 C 0.03 I 0.01 L 0.01 HN Overlap>> 1.S111 1.S111 C Shift Assignments>> C :: 178.058 CA :: 54.477 CB :: 19.137 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.939(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 115.901(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.25 C 0.23 Y 0.14 F 0.09 N 0.09 M 0.08 I 0.03 K 0.02 D 0.01 HN Overlap>> 1.V61 1.V61 C Shift Assignments>> C :: 178.608 CA :: 56.043 CB :: 36.921 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.782(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 :: 120.412(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 F 0.19 L 0.14 Y 0.14 R 0.08 C 0.08 D 0.05 I 0.03 C Shift Assignments>> C :: 181.088 CA :: 58.081 CB :: 41.896 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 :: 8.925(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 :: 122.257(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.22 L 0.2 K 0.19 F 0.12 Y 0.08 D 0.07 C 0.06 I 0.01 G 0.01 C Shift Assignments>> C :: 180.654 CA :: 57.346 CB :: 42.569 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 :: 7.956(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.074(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.35 L 0.2 F 0.1 C 0.07 K 0.07 Y 0.06 G 0.05 D 0.03 HN Overlap>> 1.D66 1.D66 C Shift Assignments>> C :: 179.994 CA :: 57.765 CB :: 43.377 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 :: 8.980(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 :: 124.805(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.L180 1.L180 C Shift Assignments>> C :: 177.718 CA :: 67.793 CB :: 68.604 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 :: 8.585(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 :: 119.040(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.656 CA :: 65.332 CB :: 68.761 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 :: 7.478(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 :: 113.404(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.4 Y 0.2 C 0.18 F 0.17 E 0.01 C Shift Assignments>> C :: 175.329 CA :: 60.965 CB :: 38.544 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.750(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 :: 111.619(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.7 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 175.094 CA :: 44.877 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.338(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.114(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.071 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.054(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.931(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.6 P 0.26 C 0.09 I 0.02 C Shift Assignments>> C :: 177.77 CA :: 66.290 CB :: 31.649 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.K127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.13 R 0.1 V 0.1 K 0.1 E 0.09 H 0.08 M 0.07 Q 0.04 I 0.01 C Shift Assignments>> C :: 179.714 CA :: 59.382 CB :: 31.625 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.554(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.072(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.15 Q 0.15 W 0.13 E 0.13 H 0.13 C 0.12 R 0.1 M 0.03 I 0.02 L 0.01 C Shift Assignments>> C :: 180.307 CA :: 56.945 CB :: 29.112 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 :: 7.194(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.295(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.26 C 0.12 D 0.1 L 0.1 I 0.06 N 0.02 K 0.02 C Shift Assignments>> C :: 178.027 CA :: 57.335 CB :: 40.047 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 :: 7.506(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 :: 124.148(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.961 CA :: 67.790 CB :: 68.298 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 :: 8.023(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 :: 117.813(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.65 A 0.25 I 0.06 C 0.02 C Shift Assignments>> C :: 179.380 CA :: 55.641 CB :: 17.708 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.756(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.938(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.41 C 0.21 Y 0.18 F 0.14 E 0.02 HN Overlap>> 1.T114 1.T114 C Shift Assignments>> C :: 177.658 CA :: 61.061 CB :: 37.957 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 :: 7.642(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 :: 121.185(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.28 C 0.14 I 0.08 D 0.07 L 0.06 N 0.02 HN Overlap>> 1.D138 1.D138 C Shift Assignments>> C :: 178.959 CA :: 57.586 CB :: 39.502 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 :: 7.885(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.330(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.15 K 0.13 I 0.12 E 0.11 Q 0.1 H 0.08 R 0.06 L 0.01 M 0.01 C Shift Assignments>> C :: 179.721 CA :: 59.156 CB :: 28.614 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 :: 8.767(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 :: 121.533(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.21 C 0.19 Y 0.18 F 0.14 E 0.09 D 0.06 M 0.03 I 0.02 L 0.02 C Shift Assignments>> C :: 176.408 CA :: 55.495 CB :: 37.861 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 :: 8.250(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.990(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.16 R 0.15 H 0.14 C 0.13 K 0.12 W 0.1 E 0.08 Q 0.07 C Shift Assignments>> C :: 175.750 CA :: 55.127 CB :: 31.592 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 :: 7.347(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 :: 116.294(D) Ave N Shift Values>> N :: 120.09(3.57) 1.G137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.584 CA :: 45.085 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.582(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.482(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.52 D 0.24 C 0.07 L 0.06 F 0.05 Y 0.04 HN Overlap>> 1.L133 1.L133 C Shift Assignments>> C :: 174.557 CA :: 52.053 CB :: 39.500 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.876(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 :: 122.376(D) Ave N Shift Values>> N :: 120.65(3.86) 1.H139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.16 K 0.14 C 0.12 R 0.11 W 0.11 E 0.09 M 0.04 L 0.02 HN Overlap>> 1.H20 1.H20 C Shift Assignments>> C :: 174.857 CA :: 54.268 CB :: 29.111 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 :: 8.199(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 :: 122.002(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.54 C 0.25 I 0.09 P 0.06 C Shift Assignments>> C :: 175.979 CA :: 63.699 CB :: 34.578 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 :: 8.589(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 :: 122.186(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 172.638 CA :: 64.723 CB :: 66.875 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 :: 9.140(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 :: 126.169(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 C 0.16 K 0.14 H 0.12 R 0.12 Q 0.07 W 0.07 E 0.04 HN Overlap>> 1.S87 1.S87 C Shift Assignments>> C :: 171.555 CA :: 53.856 CB :: 32.307 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 :: 8.272(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 :: 120.586(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.L143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.1 C 0.02 D 0.01 C Shift Assignments>> C :: 174.153 CA :: 53.103 CB :: 45.558 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 :: 7.613(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.902(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.72 L 0.17 C 0.05 F 0.01 R 0.01 D 0.01 C Shift Assignments>> C :: 175.548 CA :: 55.301 CB :: 45.685 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 :: 9.837(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 :: 127.494(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 Q 0.22 C 0.19 K 0.15 E 0.06 H 0.03 R 0.03 W 0.01 Y 0.01 C Shift Assignments>> C :: 170.533 CA :: 55.089 CB :: 34.361 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 :: 9.108(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 :: 125.876(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.W146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.15 H 0.14 C 0.11 W 0.11 R 0.1 E 0.09 M 0.03 L 0.03 C Shift Assignments>> C :: 178.017 CA :: 54.956 CB :: 28.862 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.594(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 115.424(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent 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 E 0.08 L 0.08 M 0.02 I 0.01 C Shift Assignments>> CA :: 54.914 CB :: 28.406 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 :: 9.295(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 :: 118.439(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.56 C 0.19 P 0.19 I 0.02 C Shift Assignments>> C :: 178.066 CA :: 63.684 CB :: 33.755 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.E149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.23 C 0.23 W 0.15 E 0.07 K 0.07 H 0.05 R 0.05 Q 0.04 V 0.04 P 0.01 C Shift Assignments>> C :: 176.572 CA :: 60.844 CB :: 29.185 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 :: 8.588(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 :: 130.105(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.22 L 0.13 D 0.13 C 0.1 K 0.06 I 0.04 N 0.02 C Shift Assignments>> C :: 176.922 CA :: 57.102 CB :: 40.477 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 :: 7.579(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 113.818(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 N 0.2 L 0.17 F 0.08 Y 0.07 C 0.06 K 0.03 C Shift Assignments>> C :: 174.668 CA :: 53.703 CB :: 40.610 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.392(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 :: 120.463(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 W 0.16 V 0.13 I 0.08 E 0.08 R 0.07 H 0.06 P 0.04 Q 0.03 K 0.03 M 0.02 C Shift Assignments>> C :: 175.445 CA :: 60.808 CB :: 30.477 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 :: 7.336(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 :: 120.889(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.8 M 0.18 C Shift Assignments>> C :: 176.309 CA :: 51.946 CB :: 17.862 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.385(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.211(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 I 0.26 Y 0.15 E 0.13 F 0.09 V 0.02 M 0.01 K 0.01 C Shift Assignments>> CA :: 60.293 CB :: 36.814 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 :: 8.411(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.533(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.44 V 0.36 C 0.11 I 0.04 W 0.01 C Shift Assignments>> C :: 177.238 CA :: 64.425 CB :: 31.236 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.N156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 C 0.22 E 0.19 Y 0.1 M 0.09 F 0.06 D 0.02 K 0.02 I 0.01 C Shift Assignments>> C :: 173.388 CA :: 54.648 CB :: 36.850 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 :: 8.909(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 :: 117.399(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.25 K 0.11 N 0.09 F 0.06 C 0.04 Y 0.04 R 0.03 C Shift Assignments>> C :: 177.468 CA :: 53.345 CB :: 41.665 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.486(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 :: 121.909(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 K 0.14 H 0.13 E 0.13 W 0.13 C 0.11 R 0.11 M 0.03 I 0.01 HN Overlap>> 1.R224 1.R224 C Shift Assignments>> C :: 177.547 CA :: 56.677 CB :: 29.350 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 :: 8.897(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 :: 127.588(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 E 0.14 W 0.14 H 0.14 C 0.13 Q 0.11 M 0.07 K 0.06 V 0.01 C Shift Assignments>> C :: 177.207 CA :: 57.200 CB :: 30.499 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 :: 7.959(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 :: 123.283(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.D160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 K 0.21 D 0.17 R 0.11 F 0.1 Y 0.07 C 0.05 N 0.01 C Shift Assignments>> C :: 177.870 CA :: 55.689 CB :: 42.095 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 :: 8.718(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 :: 116.440(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 I 0.08 W 0.08 T 0.06 V 0.06 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 173.011 CA :: 59.639 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 :: 7.093(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 :: 105.632(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.597 CA :: 59.689 CB :: 69.045 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 :: 8.086(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 :: 112.364(D) Ave N Shift Values>> N :: 115.42(4.75) 1.M163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.26 C 0.25 Q 0.15 K 0.1 N 0.07 E 0.06 H 0.02 R 0.01 Y 0.01 W 0.01 HN Overlap>> 1.E260 1.E260 C Shift Assignments>> CA :: 53.032 CB :: 34.866 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 :: 8.316(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 :: 118.67(D) Ave N Shift Values>> N :: 120.09(3.57) 1.P164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.79 P 0.09 C 0.08 I 0.01 C Shift Assignments>> C :: 176.902 CA :: 67.463 CB :: 31.98 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.V165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.5 P 0.37 C 0.09 I 0.01 HN Overlap>> 1.S237 1.S237 C Shift Assignments>> C :: 175.442 CA :: 65.426 CB :: 31.798 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 :: 8.320(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 :: 113.142(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.62 M 0.32 C 0.03 I 0.01 C Shift Assignments>> C :: 177.475 CA :: 54.504 CB :: 18.861 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.532(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.593(D) Ave N Shift Values>> N :: 123.23(3.54) 1.M167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 C 0.14 H 0.13 W 0.13 E 0.12 K 0.09 M 0.09 Q 0.08 V 0.01 C Shift Assignments>> C :: 177.832 CA :: 57.172 CB :: 31.076 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 :: 8.077(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 :: 116.838(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.46 M 0.39 C 0.06 I 0.03 V 0.02 L 0.01 HN Overlap>> 1.Q69 1.Q69 C Shift Assignments>> C :: 178.297 CA :: 55.603 CB :: 19.216 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.175(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.105(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 177.471 CA :: 66.319 CB :: 68.978 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 :: 7.629(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 :: 112.536(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.642 CA :: 66.844 CB :: 67.844 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 :: 8.942(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 :: 125.365(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 K 0.19 Y 0.18 L 0.12 C 0.09 D 0.07 I 0.04 R 0.02 C Shift Assignments>> C :: 178.114 CA :: 58.051 CB :: 41.312 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 :: 8.656(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 :: 122.302(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.28 C 0.22 W 0.14 K 0.07 E 0.06 H 0.04 Q 0.04 R 0.04 P 0.03 V 0.02 HN Overlap>> 1.I227 1.I227 C Shift Assignments>> C :: 178.568 CA :: 60.799 CB :: 28.756 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 :: 7.980(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 :: 118.868(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.K173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 V 0.2 K 0.11 W 0.08 R 0.06 M 0.06 H 0.05 Q 0.04 E 0.04 P 0.02 HN Overlap>> 1.L188 1.L188 C Shift Assignments>> C :: 178.541 CA :: 59.983 CB :: 32.595 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 :: 7.873(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 :: 121.691(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.22 K 0.19 L 0.17 F 0.14 Y 0.09 C 0.07 D 0.05 I 0.01 G 0.01 C Shift Assignments>> C :: 177.408 CA :: 57.807 CB :: 42.578 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 :: 7.905(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.110(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.26 L 0.25 K 0.14 F 0.09 D 0.09 Y 0.06 C 0.05 G 0.01 C Shift Assignments>> C :: 178.198 CA :: 56.532 CB :: 42.812 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 :: 7.873(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 :: 112.293(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.580 CA :: 60.861 CB :: 72.019 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 :: 7.818(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.202(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent 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 :: 173.951 CA :: 44.946 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.772(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.216(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent 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 :: 176.360 CA :: 55.802 CB :: 29.309 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 :: 8.261(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 :: 117.561(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.22 K 0.19 L 0.16 F 0.15 Y 0.1 C 0.07 D 0.04 I 0.02 G 0.01 C Shift Assignments>> C :: 177.343 CA :: 58.124 CB :: 42.614 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 :: 7.336(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 :: 123.424(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.41 L 0.27 R 0.13 D 0.1 C 0.04 F 0.01 HN Overlap>> 1.T121 1.T121 C Shift Assignments>> C :: 177.481 CA :: 52.480 CB :: 44.059 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 :: 8.551(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 :: 119.041(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.284 CA :: 62.019 CB :: 71.526 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 :: 8.781(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 :: 113.289(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.2 K 0.17 C 0.11 L 0.09 I 0.07 D 0.04 R 0.02 C Shift Assignments>> C :: 179.048 CA :: 58.793 CB :: 41.304 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 :: 8.563(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 :: 123.801(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.54 A 0.4 I 0.02 C 0.02 C Shift Assignments>> C :: 181.480 CA :: 54.833 CB :: 17.840 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.319(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.459(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S184 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 T 0.22 P 0.21 I 0.18 C 0.04 F 0.01 Y 0.01 S 0.01 W 0.01 HN Overlap>> 1.R254 1.R254 C Shift Assignments>> C :: 175.006 CA :: 62.846 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.611(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 :: 119.412(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 W 0.16 V 0.12 E 0.09 R 0.09 H 0.07 I 0.05 K 0.04 Q 0.04 M 0.03 P 0.02 C Shift Assignments>> C :: 178.471 CA :: 60.271 CB :: 30.761 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 :: 8.929(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 :: 124.411(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.Q186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 Q 0.14 C 0.13 K 0.12 W 0.11 H 0.09 E 0.09 L 0.06 I 0.05 M 0.01 HN Overlap>> 1.E12 1.E12 C Shift Assignments>> C :: 177.038 CA :: 57.469 CB :: 28.030 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 :: 8.057(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 :: 118.519(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q187 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 K 0.14 R 0.12 C 0.12 W 0.11 H 0.1 E 0.1 L 0.06 I 0.03 M 0.01 C Shift Assignments>> C :: 177.781 CA :: 56.893 CB :: 28.200 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 :: 7.453(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 :: 118.850(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.19 K 0.18 L 0.12 C 0.1 D 0.06 I 0.05 R 0.02 HN Overlap>> 1.K173 1.K173 C Shift Assignments>> C :: 178.203 CA :: 58.118 CB :: 41.239 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 :: 7.837(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.740(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.78 C 0.15 Y 0.02 F 0.02 V 0.01 C Shift Assignments>> C :: 177.165 CA :: 65.549 CB :: 37.973 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 :: 7.649(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.026(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D190 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.28 C 0.14 D 0.08 I 0.07 L 0.07 N 0.02 C Shift Assignments>> C :: 181.365 CA :: 57.466 CB :: 39.674 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 :: 8.533(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 :: 123.084(D) Ave N Shift Values>> N :: 120.65(3.86) 1.W191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 I 0.18 W 0.14 K 0.11 E 0.09 Q 0.08 H 0.07 R 0.06 L 0.01 C Shift Assignments>> C :: 177.058 CA :: 59.648 CB :: 28.476 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.913(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.563(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.M192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.13 Y 0.1 F 0.1 W 0.08 I 0.07 E 0.05 V 0.04 K 0.04 T 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 180.115 CA :: 59.365 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 :: 7.607(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 :: 116.849(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E193 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.17 E 0.12 K 0.09 R 0.09 H 0.09 I 0.08 Q 0.08 V 0.02 M 0.02 C Shift Assignments>> C :: 178.034 CA :: 59.529 CB :: 29.627 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 :: 9.483(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 :: 125.461(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.09 C 0.01 C Shift Assignments>> C :: 175.456 CA :: 51.606 CB :: 18.742 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.178(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.372(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D195 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 L 0.11 M 0.09 N 0.08 H 0.07 A 0.06 Q 0.06 R 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> CA :: 54.767 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 6.855(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 :: 116.527(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K196 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.16 T 0.12 V 0.12 C 0.12 S 0.09 F 0.08 Y 0.08 W 0.06 E 0.02 R 0.02 K 0.02 H 0.01 P 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 174.967 CA :: 60.559 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.A198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.69 A 0.13 N 0.07 D 0.02 C 0.01 L 0.01 C Shift Assignments>> CA :: 50.453 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.783(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.227(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G199 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P200 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L201 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.1 Y 0.1 W 0.1 C 0.1 E 0.08 S 0.07 K 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 C Shift Assignments>> C :: 178.453 CA :: 57.916 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.R203 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.17 E 0.12 I 0.09 R 0.09 H 0.08 K 0.08 Q 0.07 V 0.03 M 0.02 C Shift Assignments>> C :: 177.413 CA :: 59.783 CB :: 29.674 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 :: 8.831(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.975(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.S204 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.932 CA :: 60.882 CB :: 63.135 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.895(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 :: 113.976(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A205 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.94 M 0.03 C 0.01 C Shift Assignments>> C :: 176.182 CA :: 50.469 CB :: 19.280 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.141(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.671(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L206 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 G 0.21 R 0.19 D 0.14 C 0.04 F 0.02 K 0.01 Y 0.01 N 0.01 C Shift Assignments>> CA :: 52.854 CB :: 43.679 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.555(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.698(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.38 C 0.26 P 0.12 K 0.05 W 0.04 R 0.02 Q 0.02 M 0.02 H 0.01 E 0.01 C Shift Assignments>> C :: 175.725 CA :: 61.435 CB :: 32.961 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.A208 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.67 M 0.3 C 0.01 HN Overlap>> 1.L265 1.L265 C Shift Assignments>> C :: 179.341 CA :: 53.264 CB :: 17.974 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.114(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.570(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G209 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 175.26 CA :: 45.226 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.691(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.012(D) Ave N Shift Values>> N :: 109.67(3.87) 1.W210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.14 K 0.13 I 0.12 E 0.11 Q 0.1 H 0.08 R 0.07 L 0.01 M 0.01 C Shift Assignments>> C :: 175.314 CA :: 58.992 CB :: 28.517 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.460(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.290(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F211 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 L 0.21 F 0.13 D 0.12 R 0.1 Y 0.09 C 0.06 I 0.01 HN Overlap>> 1.A229 1.A229 C Shift Assignments>> C :: 174.711 CA :: 56.631 CB :: 42.009 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 :: 9.227(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 :: 123.730(D) Ave N Shift Values>> N :: 120.45(4.18) 1.I212 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.3 F 0.26 Y 0.25 C 0.15 L 0.01 C Shift Assignments>> C :: 169.399(S) CA :: 60.449 CB :: 39.922 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 :: 7.398(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 :: 124.282(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A213 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 L 0.05 C 0.04 C Shift Assignments>> C :: 174.813 CA :: 50.458 CB :: 21.116 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.300(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.969(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D214 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.7 L 0.17 R 0.03 D 0.03 C 0.03 HN Overlap>> 1.I65 1.I65 C Shift Assignments>> C :: 172.638 CA :: 52.821 CB :: 44.836 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 :: 8.088(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 :: 124.780(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K215 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 D 0.09 H 0.09 Q 0.08 R 0.07 K 0.06 W 0.05 C 0.05 E 0.05 F 0.04 N 0.04 Y 0.04 A 0.03 S 0.01 C Shift Assignments>> CA :: 55.503 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 :: 7.876(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 :: 110.337(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> T 0.74 S 0.25 C Shift Assignments>> C :: 173.936 CA :: 57.014 CB :: 67.712 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.G217 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.217 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.457(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.748(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.6 A 0.19 C 0.12 K 0.06 C Shift Assignments>> C :: 175.781 CA :: 52.906 CB :: 22.825 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.G219 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 172.711 CA :: 45.190 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.797(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.444(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R220 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 Q 0.13 W 0.13 E 0.13 C 0.12 M 0.08 K 0.07 C Shift Assignments>> C :: 175.011 CA :: 55.850 CB :: 30.267 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 :: 7.686(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 :: 117.850(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.R221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.11 F 0.09 E 0.09 Y 0.09 C 0.09 K 0.08 R 0.07 H 0.06 S 0.06 Q 0.06 M 0.05 L 0.03 D 0.01 I 0.01 V 0.01 C Shift Assignments>> C :: 175.936 CA :: 57.671 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 :: 7.844 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 :: 129.355 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.G222 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 176.942 CA :: 46.206 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.809(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.356(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S223 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.906 CA :: 59.894 CB :: 64.173 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.364(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 :: 119.796(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R224 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 C 0.21 Q 0.18 K 0.12 E 0.08 H 0.02 N 0.02 R 0.02 Y 0.01 W 0.01 HN Overlap>> 1.E158 1.E158 C Shift Assignments>> C :: 174.305 CA :: 54.271 CB :: 34.714 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 :: 8.943(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 :: 127.544(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.G225 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 170.061 CA :: 46.674 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.46(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.437(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I226 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.3 Y 0.26 I 0.17 C 0.13 K 0.04 L 0.04 D 0.02 C Shift Assignments>> C :: 170.365 CA :: 59.500 CB :: 40.516 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 :: 9.027(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 :: 117.467(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I227 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.3 Y 0.29 C 0.14 I 0.12 L 0.05 D 0.05 N 0.01 HN Overlap>> 1.R172 1.R172 C Shift Assignments>> C :: 174.540 CA :: 58.284 CB :: 39.765 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 :: 7.985(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.973(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A228 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.54 C 0.18 K 0.13 P 0.06 A 0.05 R 0.01 HN Overlap>> 1.A115 1.A115 C Shift Assignments>> C :: 174.537 CA :: 51.296 CB :: 24.180 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.805(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.389(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A229 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.95 C 0.02 M 0.01 HN Overlap>> 1.F211 1.F211 C Shift Assignments>> C :: 175.509 CA :: 50.258 CB :: 20.142 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.190(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.732(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L230 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.15 C 0.07 C Shift Assignments>> C :: 176.583 CA :: 54.922 CB :: 46.418 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 :: 9.145(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 :: 122.114(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G231 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> CA :: 46.691 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.661(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.192(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.25 V 0.2 W 0.13 R 0.07 E 0.06 P 0.06 H 0.05 K 0.05 M 0.03 I 0.03 Q 0.02 C Shift Assignments>> C :: 175.929 CA :: 60.701 CB :: 31.311 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.D233 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.28 D 0.19 Y 0.14 F 0.14 C 0.11 L 0.07 I 0.01 C Shift Assignments>> C :: 177.072 CA :: 54.782 CB :: 39.043 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.805(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.052(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G234 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 173.324 CA :: 46.687 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.572(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 100.901(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K235 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 C 0.27 Q 0.16 K 0.1 N 0.03 H 0.03 P 0.03 R 0.03 E 0.02 W 0.01 C Shift Assignments>> CA :: 52.138 CB :: 34.276 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 :: 7.029(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 :: 120.152(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.29 P 0.25 C 0.21 W 0.07 I 0.03 R 0.02 E 0.02 K 0.02 H 0.02 M 0.01 C Shift Assignments>> C :: 176.025 CA :: 61.990 CB :: 31.369 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.S237 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.96 T 0.03 HN Overlap>> 1.V165 1.V165 C Shift Assignments>> C :: 174.451 CA :: 58.942 CB :: 65.544 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.406(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 :: 113.107(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R238 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.28 C 0.23 M 0.15 Y 0.07 K 0.06 N 0.05 Q 0.04 F 0.04 I 0.01 C Shift Assignments>> C :: 174.373 CA :: 55.778 CB :: 35.978 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 :: 8.667(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 :: 123.959(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.I239 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.3 Y 0.26 C 0.12 I 0.1 L 0.07 K 0.06 D 0.04 C Shift Assignments>> C :: 174.500 CA :: 58.616 CB :: 40.548 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 :: 9.075(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.480(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V240 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.32 E 0.22 I 0.11 Y 0.09 M 0.05 V 0.05 F 0.04 K 0.04 Q 0.02 C Shift Assignments>> C :: 173.389 CA :: 59.585 CB :: 35.854 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 :: 9.077(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 :: 126.982(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V241 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.36 E 0.13 I 0.13 V 0.12 Y 0.06 K 0.04 M 0.04 Q 0.03 F 0.02 C Shift Assignments>> C :: 173.763 CA :: 60.472 CB :: 35.409 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 :: 8.117(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 :: 126.094(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I242 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.21 I 0.14 K 0.14 C 0.13 L 0.04 R 0.02 D 0.01 C Shift Assignments>> C :: 174.129 CA :: 60.030 CB :: 41.406 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 :: 8.234(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 :: 124.202(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Y243 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.7 L 0.16 C 0.06 R 0.02 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.301 CA :: 56.680 CB :: 45.503 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.539(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 :: 122.766(D) Ave N Shift Values>> N :: 120.52(4.2) 1.T244 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 171.617 CA :: 59.432 CB :: 69.912 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 :: 8.903(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 :: 112.041(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T245 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 170.877 CA :: 63.645 CB :: 69.951 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 :: 8.375(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.435(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G246 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 176.203 CA :: 45.802 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.17(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.156(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S247 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 176.608 CA :: 60.197 CB :: 65.225 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.103(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 :: 119.542(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R248 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 Q 0.14 R 0.13 E 0.13 W 0.13 C 0.11 K 0.1 M 0.06 HN Overlap>> 1.D66 1.D66 C Shift Assignments>> C :: 177.296 CA :: 56.054 CB :: 29.871 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 :: 9.061(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 :: 124.904(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.K249 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 R 0.14 H 0.14 C 0.13 K 0.12 W 0.09 E 0.07 Q 0.06 HN Overlap>> 1.L62 1.L62 C Shift Assignments>> C :: 176.972 CA :: 54.883 CB :: 31.677 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 :: 8.455(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 :: 120.509(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K250 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 K 0.18 C 0.16 Q 0.14 R 0.09 H 0.08 W 0.06 E 0.04 V 0.01 C Shift Assignments>> CA :: 56.321 CB :: 32.876 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 :: 8.821(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.015(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T251 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.46 T 0.23 I 0.16 S 0.06 C 0.03 P 0.03 C Shift Assignments>> C :: 175.78 CA :: 67.613 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.D252 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.28 C 0.14 I 0.08 D 0.07 L 0.07 N 0.02 K 0.01 C Shift Assignments>> C :: 178.319 CA :: 57.724 CB :: 39.783 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 :: 8.753(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 :: 119.336(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E253 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 C 0.15 E 0.14 K 0.11 H 0.11 Q 0.1 R 0.1 I 0.05 M 0.02 V 0.01 HN Overlap>> 1.K7 1.K7 C Shift Assignments>> C :: 179.063 CA :: 58.681 CB :: 29.593 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 :: 7.195(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 :: 120.775(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R254 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 W 0.17 V 0.11 E 0.09 R 0.08 I 0.07 H 0.07 Q 0.04 K 0.03 P 0.02 M 0.02 HN Overlap>> 1.K9 1.K9 1.S184 1.S184 C Shift Assignments>> C :: 177.486 CA :: 60.497 CB :: 30.493 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 :: 7.590(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.319(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.N255 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 E 0.22 N 0.16 Y 0.12 M 0.09 F 0.08 K 0.02 D 0.02 I 0.01 C Shift Assignments>> C :: 176.524 CA :: 55.285 CB :: 36.885 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 :: 8.447(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 :: 117.382(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R256 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.17 E 0.13 R 0.1 H 0.1 Q 0.09 K 0.09 I 0.05 M 0.02 V 0.02 C Shift Assignments>> C :: 178.643 CA :: 59.067 CB :: 29.789 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 :: 7.730(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.351(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.Q257 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 C 0.17 I 0.1 Q 0.1 L 0.1 W 0.09 H 0.06 E 0.06 K 0.06 C Shift Assignments>> C :: 178.345 CA :: 58.240 CB :: 27.291 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 :: 7.556(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 :: 115.616(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I258 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.54 V 0.22 C 0.21 Y 0.01 C Shift Assignments>> C :: 177.108 CA :: 65.973 CB :: 36.389 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 :: 7.296(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.436(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A259 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.69 A 0.19 I 0.07 C 0.02 C Shift Assignments>> C :: 180.375 CA :: 55.914 CB :: 17.515 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.515(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.014(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E260 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.17 E 0.12 I 0.09 K 0.09 R 0.09 H 0.09 Q 0.08 V 0.03 M 0.02 HN Overlap>> 1.M163 1.M163 C Shift Assignments>> C :: 180.760 CA :: 59.639 CB :: 29.609 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 :: 8.318(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 :: 118.728(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I261 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.36 T 0.22 I 0.15 S 0.14 P 0.07 C 0.03 C Shift Assignments>> C :: 177.788 CA :: 66.583 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 :: 7.881(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 :: 124.078(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G262 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.76 C 0.09 P 0.04 L 0.04 A 0.03 N 0.01 C Shift Assignments>> C :: 173.831 CA :: 47.564 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.09(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.681(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A263 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.62 A 0.32 I 0.03 C 0.02 C Shift Assignments>> C :: 180.097 CA :: 55.065 CB :: 17.511 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.431(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.891(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S264 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.C58 1.C58 C Shift Assignments>> C :: 176.150 CA :: 61.747 CB :: 62.777 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.387(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.381(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L265 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.22 K 0.12 L 0.11 C 0.11 D 0.07 I 0.06 HN Overlap>> 1.A208 1.A208 C Shift Assignments>> C :: 178.648 CA :: 58.007 CB :: 40.869 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 :: 8.121(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 :: 123.567(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I266 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.62 C 0.21 Y 0.05 V 0.04 F 0.04 HN Overlap>> 1.V84 1.V84 C Shift Assignments>> C :: 178.418 CA :: 63.646 CB :: 37.203 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 :: 7.774(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.711(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K267 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 K 0.14 W 0.1 R 0.1 M 0.1 V 0.09 H 0.08 E 0.07 Q 0.05 C Shift Assignments>> C :: 177.890 CA :: 58.875 CB :: 32.287 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 :: 7.939(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 :: 121.939(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H268 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.23 R 0.2 Q 0.13 C 0.12 H 0.09 W 0.07 K 0.06 E 0.04 M 0.01 I 0.01 C Shift Assignments>> C :: 173.721 CA :: 54.710 CB :: 27.425 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 :: 7.493(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 :: 115.131(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.W269 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 I 0.2 V 0.17 P 0.13 W 0.11 E 0.03 R 0.03 H 0.02 K 0.01 Q 0.01 C Shift Assignments>> CA :: 62.273 CB :: 30.028 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.086(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 129.616(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) ########################################################################### Overall Results: #Consistent: 27 #Clerical: 238 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 264 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 269 #Suspicious: 0 C Shift Results: #Consistent: 733 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 3 #Duplicate: 240 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 3 #Duplicate: 242 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E3 H = 10.872(S), Expected = 8.33, Std = 0.5900, ChiSquare = 1.6438e-05 1.E3 N = 122.018(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.9849e-01 1.T4 H = 7.537(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.5685e-01 1.T4 N = 120.076(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.2698e-01 1.L5 H = 7.040(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.7135e-02 1.L5 N = 122.162(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.3828e-01 1.V6 H = 7.421(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.9463e-01 1.V6 N = 119.551(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.2634e-01 1.K7 H = 7.166(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.7884e-02 1.K7 N = 120.780(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.4291e-01 1.V8 H = 8.370(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.0496e-01 1.V8 N = 123.665(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.7810e-01 1.K9 H = 7.605(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.2956e-01 1.K9 N = 119.285(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.3966e-01 1.D10 H = 8.078(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.8916e-01 1.D10 N = 121.681(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.8939e-01 1.A11 H = 8.657(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.4626e-01 1.A11 N = 122.605(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.5986e-01 1.E12 H = 8.065(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.5332e-01 1.E12 N = 118.481(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.2933e-01 1.D13 H = 8.143(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.7340e-01 1.D13 N = 120.909(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.4650e-01 1.Q14 H = 8.654(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.6198e-01 1.Q14 N = 117.382(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.8601e-01 1.L15 H = 8.678(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.9068e-01 1.L15 N = 115.848(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.2319e-01 1.C16 H = 8.636(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.1350e-01 1.C16 N = 116.285(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.0243e-01 1.R17 H = 8.159(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.9436e-01 1.R17 N = 126.627(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.1332e-01 1.H20 H = 8.210(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.6481e-01 1.H20 N = 122.049(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.5536e-01 1.R21 H = 7.664(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.4504e-01 1.R21 N = 115.553(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.5392e-01 1.C23 H = 7.909(D), Expected = 8.39, Std = 0.6700, ChiSquare = 4.7281e-01 1.C23 N = 125.512(D), Expected = 120.17, Std = 4.6400, ChiSquare = 2.4961e-01 1.R24 H = 8.801(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.5774e-01 1.R24 N = 122.803(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.8624e-01 1.V25 H = 10.118(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.3650e-03 1.V25 N = 128.216(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.1909e-01 1.G26 H = 8.892(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.8725e-01 1.G26 N = 112.187(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.1544e-01 1.Y27 H = 9.375(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.4840e-01 1.Y27 N = 124.359(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.6069e-01 1.I28 H = 7.935(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.1191e-01 1.I28 N = 126.249(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.6317e-01 1.E29 H = 7.649(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.4840e-01 1.E29 N = 124.691(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.4790e-01 1.L30 H = 9.537(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.4350e-02 1.L30 N = 127.345(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.5960e-01 1.D31 H = 8.933(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.8276e-01 1.D31 N = 127.266(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.6531e-02 1.L32 H = 8.078(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.1510e-01 1.L32 N = 129.819(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.1274e-02 1.N33 H = 8.544(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.4608e-01 1.N33 N = 117.220(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.7133e-01 1.S34 H = 8.469(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.4871e-01 1.S34 N = 113.729(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.6863e-01 1.G35 H = 7.814(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.2729e-01 1.G35 N = 113.208(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.6061e-01 1.K36 H = 7.538(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.7718e-01 1.K36 N = 120.188(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.1914e-01 1.I37 H = 8.540(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.0220e-01 1.I37 N = 125.735(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.1788e-01 1.L38 H = 8.742(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.3088e-01 1.L38 N = 131.109(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.7714e-02 1.E39 H = 7.343(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.4351e-02 1.E39 N = 116.548(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.3622e-01 1.S40 H = 8.905(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.8945e-01 1.S40 N = 116.480(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.5469e-01 1.F41 H = 9.340(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.7348e-01 1.F41 N = 122.107(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.9180e-01 1.R42 H = 8.762(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.9214e-01 1.R42 N = 123.233(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.0852e-01 1.E44 H = 8.353(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.6890e-01 1.E44 N = 116.358(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.1532e-01 1.E45 H = 6.788(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.9605e-03 1.E45 N = 118.803(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.9162e-01 1.R46 H = 8.301(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.2034e-01 1.R46 N = 117.920(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.3386e-01 1.F47 H = 8.59(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.4939e-01 1.F47 N = 117.914(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.4405e-01 1.M50 H = 10.388(S), Expected = 8.26, Std = 0.6000, ChiSquare = 3.9014e-04 1.M50 N = 121.105(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.7617e-01 1.T52 H = 7.795(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.7292e-01 1.T52 N = 112.809(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.8254e-01 1.F53 H = 7.612(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.9886e-01 1.F53 N = 117.961(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.5154e-01 1.K54 H = 7.262(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.2194e-01 1.K54 N = 122.914(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.2100e-01 1.V55 H = 6.462(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.3650e-03 1.V55 N = 116.276(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.8401e-01 1.L56 H = 6.477(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.9983e-03 1.L56 N = 118.377(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.7182e-01 1.L57 H = 7.854(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.6295e-01 1.L57 N = 117.438(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.5686e-01 1.C58 H = 7.303(D), Expected = 8.39, Std = 0.6700, ChiSquare = 1.0472e-01 1.C58 N = 114.376(D), Expected = 120.17, Std = 4.6400, ChiSquare = 2.1177e-01 1.G59 H = 8.215(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.5957e-01 1.G59 N = 111.549(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.2730e-01 1.A60 H = 7.630(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.4211e-01 1.A60 N = 125.194(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.7903e-01 1.V61 H = 7.836(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.9802e-01 1.V61 N = 120.389(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.6861e-01 1.L62 H = 8.449(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.3617e-01 1.L62 N = 120.457(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.1904e-01 1.S63 H = 7.919(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.4063e-01 1.S63 N = 115.939(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.2283e-01 1.R64 H = 7.369(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.5333e-01 1.R64 N = 122.739(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.9826e-01 1.I65 H = 8.079(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.6754e-01 1.I65 N = 124.845(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.2901e-01 1.D66 H = 8.965(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.5877e-01 1.D66 N = 124.890(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.7201e-01 1.A67 H = 7.359(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.6101e-01 1.A67 N = 119.287(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.6535e-01 1.G68 H = 8.049(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.6552e-01 1.G68 N = 108.376(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.3810e-01 1.Q69 H = 8.216(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.9459e-01 1.Q69 N = 118.144(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.2768e-01 1.E70 H = 7.307(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.2936e-02 1.E70 N = 119.315(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.9700e-01 1.Q71 H = 9.863(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.3570e-03 1.Q71 N = 125.491(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.1975e-01 1.L72 H = 8.879(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.1806e-01 1.L72 N = 124.171(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.5347e-01 1.G73 H = 8.155(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.8775e-01 1.G73 N = 101.518(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.5164e-02 1.R74 H = 7.035(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.8222e-02 1.R74 N = 123.006(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.4887e-01 1.R75 H = 8.416(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.7295e-01 1.R75 N = 128.376(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.9523e-02 1.I76 H = 8.973(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.0815e-01 1.I76 N = 131.307(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.1409e-02 1.H77 H = 8.347(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.7497e-01 1.H77 N = 125.339(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.5788e-01 1.Y78 H = 8.379(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.3558e-01 1.Y78 N = 121.720(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.7510e-01 1.S79 H = 9.298(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.4451e-02 1.S79 N = 115.413(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.0544e-01 1.Q80 H = 8.946(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.1851e-01 1.Q80 N = 122.624(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.4759e-01 1.N81 H = 8.091(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.9267e-01 1.N81 N = 116.203(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.9861e-01 1.D82 H = 7.734(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.2066e-01 1.D82 N = 117.322(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.8859e-01 1.L83 H = 6.988(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.6034e-02 1.L83 N = 117.561(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.7033e-01 1.V84 H = 7.664(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.5013e-01 1.V84 N = 118.685(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.8868e-01 1.K85 H = 8.169(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.7208e-01 1.K85 N = 124.545(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.5390e-01 1.Y86 H = 8.567(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.3509e-01 1.Y86 N = 121.237(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.6445e-01 1.S87 H = 8.278(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.9730e-01 1.S87 N = 120.68(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.1130e-01 1.V89 H = 8.518(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.3363e-01 1.V89 N = 119.250(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.7719e-01 1.T90 C = 181.916(S), Expected = 174.54, Std = 1.7600, ChiSquare = 2.7784e-05 1.T90 H = 9.504(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.1479e-02 1.T90 N = 114.318(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.1654e-01 1.E91 H = 7.991(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.6558e-01 1.E91 N = 120.647(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.9473e-01 1.K92 H = 7.313(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.4383e-01 1.K92 N = 116.947(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.7645e-01 1.H93 H = 6.990(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.6028e-02 1.H93 N = 117.033(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.0653e-01 1.L94 H = 7.756(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.6586e-01 1.L94 N = 121.070(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.3948e-01 1.T95 H = 8.180(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.2291e-01 1.T95 N = 110.179(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.6987e-01 1.D96 H = 8.673(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.3141e-01 1.D96 N = 117.814(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.6251e-01 1.G97 H = 7.761(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.8136e-01 1.G97 N = 111.517(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.3318e-01 1.M98 H = 8.155(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.6108e-01 1.M98 N = 114.223(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.0030e-01 1.T99 H = 8.749(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.1166e-01 1.T99 N = 112.970(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.0600e-01 1.V100 H = 7.956(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.1813e-01 1.V100 N = 122.859(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.0496e-01 1.R101 H = 8.758(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.9578e-01 1.R101 N = 119.200(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.6372e-01 1.E102 H = 7.452(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.3671e-01 1.E102 N = 118.721(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.7544e-01 1.L103 H = 9.023(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.2246e-01 1.L103 N = 123.746(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.2868e-01 1.C104 H = 8.018(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.7874e-01 1.C104 N = 119.659(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.1231e-01 1.S105 H = 7.523(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.9947e-01 1.S105 N = 113.931(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.0456e-01 1.A106 H = 8.345(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0904e-01 1.A106 N = 125.435(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.3336e-01 1.A107 H = 8.513(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.0190e-01 1.A107 N = 121.735(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.7279e-01 1.I108 H = 8.021(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.0329e-01 1.I108 N = 114.246(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.1889e-02 1.T109 H = 8.777(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.8642e-01 1.T109 N = 110.194(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.7124e-01 1.M110 H = 6.570(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.8525e-03 1.M110 N = 114.783(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.3713e-01 1.S111 H = 6.964(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.5714e-02 1.S111 N = 115.934(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.2170e-01 1.D112 H = 7.295(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.0118e-02 1.D112 N = 121.863(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.5333e-01 1.N113 H = 8.587(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.9501e-01 1.N113 N = 128.135(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.2365e-02 1.T114 H = 7.634(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.2836e-01 1.T114 N = 121.209(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.2294e-01 1.A115 H = 8.804(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.1410e-01 1.A115 N = 123.439(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.5292e-01 1.A116 H = 6.939(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.5583e-02 1.A116 N = 115.901(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.8421e-02 1.N117 H = 7.782(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.7577e-01 1.N117 N = 120.412(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.1307e-01 1.L118 H = 8.925(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.8497e-01 1.L118 N = 122.257(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.1892e-01 1.L119 H = 7.956(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.7336e-01 1.L119 N = 120.074(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.4699e-01 1.L120 H = 8.980(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.4856e-01 1.L120 N = 124.805(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.5017e-01 1.T121 H = 8.585(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.7790e-01 1.T121 N = 119.040(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.4600e-01 1.T122 H = 7.478(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.1906e-01 1.T122 N = 113.404(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.7126e-01 1.I123 H = 6.750(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.4449e-02 1.I123 N = 111.619(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.1488e-02 1.G124 H = 7.338(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.2697e-01 1.G124 N = 107.114(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.0896e-01 1.G125 H = 8.054(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.7112e-01 1.G125 N = 108.931(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4856e-01 1.K127 H = 8.554(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.4407e-01 1.K127 N = 117.072(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.9135e-01 1.E128 H = 7.194(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.4176e-02 1.E128 N = 119.295(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.9276e-01 1.L129 H = 7.506(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.6535e-01 1.L129 N = 124.148(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.5743e-01 1.T130 H = 8.023(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.2634e-01 1.T130 N = 117.813(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.1441e-01 1.A131 H = 7.756(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.5930e-01 1.A131 N = 123.938(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.4148e-01 1.F132 H = 7.642(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.1866e-01 1.F132 N = 121.185(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.6042e-01 1.L133 H = 7.885(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.9558e-01 1.L133 N = 122.330(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.0408e-01 1.H134 H = 8.767(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.3834e-01 1.H134 N = 121.533(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.4498e-01 1.N135 H = 8.250(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.8640e-01 1.N135 N = 118.990(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.8812e-01 1.M136 H = 7.347(D), Expected = 8.26, Std = 0.6000, ChiSquare = 1.2809e-01 1.M136 N = 116.294(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.8764e-01 1.G137 H = 7.582(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.4983e-01 1.G137 N = 108.482(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.5886e-01 1.D138 H = 7.876(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.5429e-01 1.D138 N = 122.376(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.5477e-01 1.H139 H = 8.199(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.5192e-01 1.H139 N = 122.002(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.6326e-01 1.V140 H = 8.589(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.5540e-01 1.V140 N = 122.186(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.1778e-01 1.T141 H = 9.140(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.4661e-01 1.T141 N = 126.169(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.3639e-02 1.R142 H = 8.272(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.5816e-01 1.R142 N = 120.586(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.5363e-01 1.L143 H = 7.613(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.4250e-01 1.L143 N = 121.902(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.9141e-01 1.D144 H = 9.837(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.4695e-03 1.D144 N = 127.494(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.6219e-02 1.R145 H = 9.108(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.5475e-01 1.R145 N = 125.876(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.6779e-01 1.W146 H = 7.594(D), Expected = 8.29, Std = 0.7900, ChiSquare = 3.7831e-01 1.W146 N = 115.424(D), Expected = 121.68, Std = 4.1800, ChiSquare = 1.3448e-01 1.E147 H = 9.295(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.0192e-01 1.E147 N = 118.439(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.2146e-01 1.E149 H = 8.588(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.6190e-01 1.E149 N = 130.105(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.7039e-03 1.L150 H = 7.579(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.1657e-01 1.L150 N = 113.818(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.9203e-02 1.N151 H = 7.392(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.3239e-01 1.N151 N = 120.463(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.0365e-01 1.E152 H = 7.336(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.2038e-02 1.E152 N = 120.889(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.4982e-01 1.A153 H = 9.385(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.8268e-02 1.A153 N = 119.211(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.5625e-01 1.I154 H = 8.411(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.4724e-01 1.I154 N = 121.533(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.8639e-01 1.N156 H = 8.909(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.6643e-01 1.N156 N = 117.399(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.0402e-01 1.D157 H = 7.486(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.5541e-01 1.D157 N = 121.909(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.4430e-01 1.E158 H = 8.897(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.3654e-01 1.E158 N = 127.588(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.6819e-02 1.R159 H = 7.959(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.4505e-01 1.R159 N = 123.283(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.9985e-01 1.D160 H = 8.718(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.8178e-01 1.D160 N = 116.440(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.7542e-01 1.T161 H = 7.093(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.4314e-02 1.T161 N = 105.632(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.9338e-02 1.T162 H = 8.086(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.0383e-01 1.T162 N = 112.364(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.1999e-01 1.M163 H = 8.316(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.2564e-01 1.M163 N = 118.67(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.9081e-01 1.V165 H = 8.320(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.6429e-01 1.V165 N = 113.142(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.8124e-02 1.A166 H = 6.532(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.4359e-03 1.A166 N = 128.593(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.2978e-01 1.M167 H = 8.077(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.6037e-01 1.M167 N = 116.838(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.6234e-01 1.A168 H = 8.175(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6676e-01 1.A168 N = 118.105(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.4769e-01 1.T169 H = 7.629(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.2439e-01 1.T169 N = 112.536(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.4375e-01 1.T170 H = 8.942(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.5753e-01 1.T170 N = 125.365(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.6288e-02 1.L171 H = 8.656(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.1222e-01 1.L171 N = 122.302(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.0977e-01 1.R172 H = 7.980(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.6994e-01 1.R172 N = 118.868(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.9958e-01 1.K173 H = 7.873(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.9727e-01 1.K173 N = 121.691(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.6499e-01 1.L174 H = 7.905(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.1707e-01 1.L174 N = 118.110(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.3628e-01 1.L175 H = 7.873(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.8285e-01 1.L175 N = 112.293(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.4164e-02 1.T176 H = 7.818(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.9610e-01 1.T176 N = 106.202(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.2303e-02 1.G177 H = 7.772(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.9064e-01 1.G177 N = 111.216(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.8954e-01 1.E178 H = 8.261(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.0690e-01 1.E178 N = 117.561(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.7165e-01 1.L179 H = 7.336(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.6901e-01 1.L179 N = 123.424(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.8840e-01 1.L180 H = 8.551(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.2141e-01 1.L180 N = 119.041(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.6979e-01 1.T181 H = 8.781(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.8289e-01 1.T181 N = 113.289(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.5370e-01 1.L182 H = 8.563(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.0844e-01 1.L182 N = 123.801(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.1870e-01 1.A183 H = 8.319(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.4278e-01 1.A183 N = 119.459(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.8676e-01 1.S184 H = 7.611(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.5684e-01 1.S184 N = 119.412(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.7359e-01 1.R185 H = 8.929(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.5868e-01 1.R185 N = 124.411(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.2647e-01 1.Q186 H = 8.057(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.8234e-01 1.Q186 N = 118.519(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.0333e-01 1.Q187 H = 7.453(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.9360e-01 1.Q187 N = 118.850(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.7267e-01 1.L188 H = 7.837(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.4543e-01 1.L188 N = 121.740(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.7545e-01 1.I189 H = 7.649(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.5344e-01 1.I189 N = 119.026(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.6957e-01 1.D190 H = 8.533(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.0062e-01 1.D190 N = 123.084(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.2832e-01 1.W191 H = 7.913(D), Expected = 8.29, Std = 0.7900, ChiSquare = 6.3321e-01 1.W191 N = 121.563(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.7767e-01 1.M192 H = 7.607(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.7645e-01 1.M192 N = 116.849(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.6396e-01 1.E193 H = 9.483(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.0673e-02 1.E193 N = 125.461(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.6860e-01 1.A194 H = 7.178(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8506e-02 1.A194 N = 120.372(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.1947e-01 1.D195 H = 6.855(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.2120e-02 1.D195 N = 116.527(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.8546e-01 1.A198 H = 8.783(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.3122e-01 1.A198 N = 126.227(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.9721e-01 1.R203 H = 8.831(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.3262e-01 1.R203 N = 116.975(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.9862e-01 1.S204 H = 6.895(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.8902e-02 1.S204 N = 113.976(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.1276e-01 1.A205 H = 7.141(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.7564e-02 1.A205 N = 123.671(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.0086e-01 1.L206 H = 6.555(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.9684e-03 1.L206 N = 121.698(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.6687e-01 1.A208 H = 8.114(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8603e-01 1.A208 N = 123.570(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.2348e-01 1.G209 H = 8.691(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.7863e-01 1.G209 N = 111.012(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.2876e-01 1.W210 H = 7.460(D), Expected = 8.29, Std = 0.7900, ChiSquare = 2.9343e-01 1.W210 N = 121.290(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.2566e-01 1.F211 H = 9.227(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.2853e-01 1.F211 N = 123.730(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.3264e-01 1.I212 C = 169.399(S), Expected = 175.85, Std = 1.9200, ChiSquare = 7.7972e-04 1.I212 H = 7.398(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.9461e-01 1.I212 N = 124.282(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.0967e-01 1.A213 H = 8.300(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6763e-01 1.A213 N = 128.969(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.0498e-01 1.D214 H = 8.088(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.0190e-01 1.D214 N = 124.780(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.8464e-01 1.K215 H = 7.876(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.0074e-01 1.K215 N = 110.337(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.4881e-03 1.G217 H = 8.457(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4509e-01 1.G217 N = 103.748(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.2596e-01 1.G219 H = 7.797(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.1222e-01 1.G219 N = 109.444(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5343e-01 1.R220 H = 7.686(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.6377e-01 1.R220 N = 117.850(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.2277e-01 1.G222 H = 8.809(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.6117e-01 1.G222 N = 104.356(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.6971e-01 1.S223 H = 7.364(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.2053e-01 1.S223 N = 119.796(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.1786e-01 1.R224 H = 8.943(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.4913e-01 1.R224 N = 127.544(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.6861e-02 1.G225 H = 8.46(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4148e-01 1.G225 N = 112.437(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.7462e-01 1.I226 H = 9.027(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.7197e-01 1.I226 N = 117.467(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.5085e-01 1.I227 H = 7.985(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.6442e-01 1.I227 N = 118.973(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.6119e-01 1.A228 H = 8.805(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.1329e-01 1.A228 N = 123.389(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.6418e-01 1.A229 H = 9.190(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8943e-02 1.A229 N = 123.732(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.8723e-01 1.L230 H = 9.145(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.5922e-01 1.L230 N = 122.114(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.4807e-01 1.G231 H = 8.661(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.1059e-01 1.G231 N = 111.192(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.9411e-01 1.D233 H = 7.805(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.8392e-01 1.D233 N = 115.052(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.4699e-01 1.G234 H = 7.572(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.4355e-01 1.G234 N = 100.901(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.3458e-02 1.K235 H = 7.029(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.2990e-02 1.K235 N = 120.152(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.1173e-01 1.S237 H = 8.406(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.3089e-01 1.S237 N = 113.107(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.6737e-01 1.R238 H = 8.667(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.8393e-01 1.R238 N = 123.959(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.9066e-01 1.I239 H = 9.075(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.4236e-01 1.I239 N = 123.480(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.3695e-01 1.V240 H = 9.077(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.4014e-01 1.V240 N = 126.982(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.9817e-01 1.V241 H = 8.117(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.9625e-01 1.V241 N = 126.094(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.7519e-01 1.I242 H = 8.234(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.4607e-01 1.I242 N = 124.202(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.2175e-01 1.Y243 H = 8.539(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.6418e-01 1.Y243 N = 122.766(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.9281e-01 1.T244 H = 8.903(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.8491e-01 1.T244 N = 112.041(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.7686e-01 1.T245 H = 8.375(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.2763e-01 1.T245 N = 124.435(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.7710e-02 1.G246 H = 8.17(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0556e-01 1.G246 N = 113.156(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.6771e-01 1.S247 H = 9.103(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.6304e-01 1.S247 N = 119.542(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.5408e-01 1.R248 H = 9.061(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.7833e-01 1.R248 N = 124.904(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.6476e-01 1.K249 H = 8.455(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.5873e-01 1.K249 N = 120.509(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.8589e-01 1.K250 H = 8.821(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.9295e-01 1.K250 N = 122.015(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.9798e-01 1.D252 H = 8.753(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.4499e-01 1.D252 N = 119.336(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.3354e-01 1.E253 H = 7.195(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.4389e-02 1.E253 N = 120.775(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.7593e-01 1.R254 H = 7.590(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.8662e-01 1.R254 N = 119.319(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.8736e-01 1.N255 H = 8.447(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.6514e-01 1.N255 N = 117.382(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.0089e-01 1.R256 H = 7.730(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.0312e-01 1.R256 N = 119.351(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.9377e-01 1.Q257 H = 7.556(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.6041e-01 1.Q257 N = 115.616(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.3514e-01 1.I258 H = 7.296(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.4788e-01 1.I258 N = 118.436(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.7985e-01 1.A259 H = 8.515(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.9958e-01 1.A259 N = 124.014(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.2473e-01 1.E260 H = 8.318(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.8377e-01 1.E260 N = 118.728(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.7681e-01 1.I261 H = 7.881(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.5736e-01 1.I261 N = 124.078(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.4075e-01 1.G262 H = 8.09(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.1196e-01 1.G262 N = 106.681(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.3991e-01 1.A263 H = 8.431(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0024e-01 1.A263 N = 122.891(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.2371e-01 1.S264 H = 7.387(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.3014e-01 1.S264 N = 114.381(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.8955e-01 1.L265 H = 8.121(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.6683e-01 1.L265 N = 123.567(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.6161e-01 1.I266 H = 7.774(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.5681e-01 1.I266 N = 118.711(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.2069e-01 1.K267 H = 7.939(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.7570e-01 1.K267 N = 121.939(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.1358e-01 1.H268 H = 7.493(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.7197e-01 1.H268 N = 115.131(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.5439e-01 1.W269 H = 7.086(D), Expected = 8.29, Std = 0.7900, ChiSquare = 1.2750e-01 1.W269 N = 129.616(D), Expected = 121.68, Std = 4.1800, ChiSquare = 5.7622e-02