Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.5 I 0.35 A 0.13 C Shift Assignments>> C :: 174.033 CE :: 16.846 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>> HA :: 4.148 HE1 :: 0.795 HE2 :: 0.795 HE3 :: 0.795 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) 1.Y2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.44 F 0.2 Y 0.17 C 0.15 K 0.01 C Shift Assignments>> C :: 179.646 CA :: 62.005(D) CB :: 40.461 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 :: 9.921(D) HA :: 4.202 HD1 :: 7.104 HD2 :: 7.104 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 :: 124.846(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.36 P 0.31 A 0.12 C 0.09 N 0.04 L 0.01 D 0.01 C Shift Assignments>> C :: 174.218 CA :: 48.175(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.643(D) HA2 :: 3.891 HA3 :: 5.051 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.427(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 H 0.04 I 0.04 Q 0.04 M 0.03 V 0.02 T 0.02 L 0.01 HN Overlap>> 1.H176 1.H176 C Shift Assignments>> C :: 175.684 CA :: 58.866 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 :: 7.389(D) HA :: 4.228 HB2 :: 2.615 HB3 :: 2.357 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.714(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 176.517 CA :: 67.247(D) CB :: 30.926 CG1 :: 24.656 CG2 :: 19.958 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 :: 7.614(D) HA :: 3.892 HB :: 1.987 HG11 :: 0.989 HG12 :: 0.989 HG13 :: 0.989 HG21 :: 0.679 HG22 :: 0.679 HG23 :: 0.679 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 :: 119.477(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.27 C 0.23 M 0.14 N 0.09 Y 0.08 K 0.05 F 0.04 Q 0.02 I 0.01 C Shift Assignments>> C :: 177.087 CA :: 55.388(D) CB :: 36.248(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.718(D) HA :: 3.996 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 :: 116.063(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.37 C 0.33 H 0.29 C Shift Assignments>> C :: 175.456 CA :: 58.543(D) CB :: 28.865 CD2 :: 121.719 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 :: 8.861(D) HA :: 4.456 HB2 :: 2.607 HB3 :: 2.647 HD2 :: 6.097 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 :: 117.576(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.69 A 0.25 I 0.03 C 0.01 C Shift Assignments>> C :: 177.891 CA :: 55.149(D) CB :: 17.026 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.502(D) HA :: 3.439 HB1 :: 1.523 HB2 :: 1.523 HB3 :: 1.523 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.214(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.61 L 0.36 A 0.01 C Shift Assignments>> C :: 176.389 CA :: 57.746(D) CB :: 40.171 CD1 :: 26.412 CD2 :: 22.379 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 :: 7.118(D) HA :: 3.580 HB2 :: 1.474 HD11 :: 0.526 HD12 :: 0.526 HD13 :: 0.526 HD21 :: 0.359 HD22 :: 0.359 HD23 :: 0.359 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 :: 119.839(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.33 E 0.26 Q 0.16 K 0.13 M 0.05 I 0.04 C Shift Assignments>> C :: 177.263 CA :: 58.880(D) CB :: 29.873 CG :: 35.034 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 :: 7.258(D) HA :: 1.720(S) HG2 :: 1.405(S) HG3 :: 0.805(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 :: 120.635(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.54 C 0.4 G 0.02 A 0.01 C Shift Assignments>> C :: 178.675 CA :: 57.671(D) CB :: 42.486 CD1 :: 25.301 CD2 :: 22.042 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 :: 7.743(D) HA :: 3.478 HB2 :: 1.402 HB3 :: 0.841 HD11 :: 0.272 HD12 :: 0.272 HD13 :: 0.272 HD21 :: 0.497 HD22 :: 0.497 HD23 :: 0.497 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.042(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.39 L 0.36 K 0.23 C Shift Assignments>> C :: 178.610 CA :: 58.715(D) CB :: 41.256 CG :: 27.152 CD1 :: 25.029 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 :: 7.889(D) HA :: 3.796 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 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 :: 118.852(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 178.632 CA :: 66.869(D) CB :: 31.165 CG1 :: 21.825 CG2 :: 22.991 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 :: 7.949(D) HA :: 3.805 HG11 :: 0.995 HG12 :: 0.995 HG13 :: 0.995 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.167(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.9 C 0.09 HN Overlap>> 1.D50 1.D50 C Shift Assignments>> C :: 178.548 CA :: 66.625(D) CB :: 37.616 CG1 :: 29.738 CG2 :: 17.124 CD1 :: 13.731 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 :: 9.008(D) HA :: 3.226 HB :: 1.539 HG12 :: 0.712 HG13 :: 1.411 HG21 :: 0.718 HG22 :: 0.718 HG23 :: 0.718 HD11 :: 0.601 HD12 :: 0.601 HD13 :: 0.601 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.706(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.46 R 0.35 K 0.08 G 0.06 I 0.02 C Shift Assignments>> C :: 177.805 CA :: 59.613(D) CB :: 30.065 CD :: 43.229 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 :: 8.542(D) HA :: 3.938 HD2 :: 3.054 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 :: 115.694(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.N16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.5 D 0.3 C 0.19 C Shift Assignments>> C :: 175.070 CA :: 55.070(D) CB :: 39.630 CG :: 176.758 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 :: 7.492(D) HA :: 4.449 HB2 :: 2.561 HD21 :: 6.959(D) HD22 :: 7.496 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 :: 113.635(D) ND2 :: 111.717(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 175.877 CA :: 59.122(D) CB :: 39.725 CE1 :: 117.912 CE2 :: 117.912 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 :: 8.548(D) HA :: 4.659 HB2 :: 3.156 HB3 :: 2.904 HD1 :: 7.198 HD2 :: 7.198 HE1 :: 6.596 HE2 :: 6.596 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 :: 117.295(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate 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>> C :: 172.398 CA :: 45.067(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.083(D) HA2 :: 4.222 HA3 :: 4.736 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.336(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 179.082 CA :: 65.444(D) CB :: 31.768 CG :: 27.399 CD :: 50.227 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) H Shift Assignments>> HA :: 4.341 HB2 :: 2.338 HB3 :: 2.136 HG2 :: 2.159 HG3 :: 2.106 HD2 :: 3.944 HD3 :: 3.632 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.4 C 0.37 E 0.17 K 0.03 Q 0.01 C Shift Assignments>> C :: 178.747 CA :: 60.281(D) CB :: 28.008 CG :: 36.564 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 :: 9.289(D) HA :: 4.040 HB2 :: 2.025 HB3 :: 2.016 HG2 :: 2.305 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 :: 120.744(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 178.131 CA :: 65.477(D) CB :: 31.443 CG1 :: 22.976 CG2 :: 21.729 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 :: 7.486(D) HA :: 3.791 HB :: 1.900 HG11 :: 0.995 HG12 :: 0.995 HG13 :: 0.995 HG21 :: 0.738 HG22 :: 0.738 HG23 :: 0.738 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 :: 120.318(D) Ave N Shift Values>> N :: 121.14(4.54) 1.W22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 176.743 CA :: 59.542(D) CB :: 29.997 CD1 :: 127.763 CE3 :: 119.876 CZ2 :: 114.501 CH2 :: 123.174 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 :: 7.343(D) HA :: 4.662 HB2 :: 3.410 HB3 :: 3.050 HD1 :: 7.306 HE1 :: 10.108(D) HE3 :: 6.568 HZ2 :: 7.365 HH2 :: 6.797 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 :: 119.398(D) NE1 :: 128.479(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 E 0.24 I 0.21 K 0.09 Q 0.06 C Shift Assignments>> C :: 179.148 CA :: 59.641(D) CB :: 28.309 CG :: 35.810 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 :: 7.939(D) HA :: 3.572 HB2 :: 2.086 HB3 :: 2.047 HG2 :: 2.362 HG3 :: 2.349 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 :: 117.054(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.26 C 0.12 L 0.1 D 0.08 I 0.07 K 0.04 N 0.01 C Shift Assignments>> C :: 179.285 CA :: 57.812(D) CB :: 40.351 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 :: 7.691(D) HA :: 4.305 HB2 :: 2.888 HB3 :: 2.510 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 :: 120.340(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 176.669 CA :: 66.377(D) CB :: 37.266 CG1 :: 31.216 CG2 :: 17.049 CD1 :: 15.497(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.153(D) HA :: 3.258 HB :: 1.795 HG12 :: 0.543 HG21 :: 0.572 HG22 :: 0.572 HG23 :: 0.572 HD11 :: 0.985(D) HD12 :: 0.985(D) HD13 :: 0.985(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 :: 123.006(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.57 K 0.38 R 0.04 C Shift Assignments>> C :: 178.570 CA :: 61.232(D) CB :: 31.214 CG :: 25.151 CD :: 29.091 CE :: 41.557 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 :: 8.019(D) HA :: 3.150 HB2 :: 1.376 HB3 :: 1.177 HG2 :: 0.414(S) HG3 :: 0.255(S) HE2 :: 2.600 HE3 :: 2.246(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.903(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.45 K 0.44 R 0.08 HN Overlap>> 1.F97 1.F97 C Shift Assignments>> C :: 180.719 CA :: 59.602(D) CB :: 32.358 CG :: 24.947 CD :: 29.151 CE :: 42.139 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 :: 7.830(D) HA :: 3.913 HB2 :: 1.812 HB3 :: 1.813 HG2 :: 1.294 HG3 :: 1.464 HD2 :: 1.613 HD3 :: 1.606 HE2 :: 2.883 HE3 :: 2.891 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 :: 117.907(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 W 0.14 K 0.14 Q 0.12 E 0.12 H 0.09 I 0.08 R 0.07 L 0.01 M 0.01 C Shift Assignments>> C :: 177.157 CA :: 58.564(D) CB :: 28.654 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 :: 8.060(D) HA :: 3.945 HB2 :: 2.029 HB3 :: 1.913 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 :: 122.451(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 175.217 CA :: 52.004(D) CB :: 18.651 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.971(D) HA :: 4.204 HB1 :: 1.138 HB2 :: 1.138 HB3 :: 1.138 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.741(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.74 Q 0.2 E 0.05 C Shift Assignments>> C :: 175.493 CA :: 56.864(D) CB :: 25.749 CG :: 34.224 CD :: 181.362 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 :: 7.833(D) HA :: 3.838 HB2 :: 2.254 HB3 :: 2.180 HG2 :: 2.179 HG3 :: 1.379 HE21 :: 7.548(D) HE22 :: 6.726(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.449(D) NE2 :: 112.141(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.7 C 0.21 G 0.03 K 0.02 A 0.01 HN Overlap>> 1.K129 1.Q68 1.K129 1.Q68 C Shift Assignments>> C :: 176.593 CA :: 54.245(D) CB :: 42.649 CD1 :: 26.023 CD2 :: 23.955 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 :: 8.166(D) HA :: 4.561 HB2 :: 1.645 HB3 :: 1.226 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 HD21 :: 0.916 HD22 :: 0.916 HD23 :: 0.916 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 :: 118.972(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 L 0.18 F 0.14 Y 0.12 N 0.11 C 0.07 K 0.05 C Shift Assignments>> C :: 176.387 CA :: 55.094(D) CB :: 40.579 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 :: 8.705(D) HA :: 4.178 HB2 :: 2.514 HB3 :: 2.425 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 :: 120.355(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.4 C 0.33 K 0.08 Q 0.07 M 0.06 I 0.03 C Shift Assignments>> C :: 176.474 CA :: 56.698(D) CB :: 29.893 CG :: 36.203 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 :: 8.223(D) HA :: 4.156 HB2 :: 1.734 HB3 :: 1.977 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 :: 118.783(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.14 E 0.14 W 0.14 Q 0.12 C 0.12 K 0.07 M 0.06 C Shift Assignments>> C :: 176.871 CA :: 56.647(D) CB :: 30.232 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 :: 8.091(D) HA :: 4.100 HB2 :: 1.863 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.739(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 173.261 CA :: 45.033(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.182(D) HA2 :: 3.926 HA3 :: 3.721 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.093(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 Q 0.13 W 0.12 E 0.12 C 0.12 M 0.08 K 0.07 C Shift Assignments>> C :: 175.956 CA :: 55.483(D) CB :: 30.273 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 :: 7.903(D) HA :: 4.417 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.161(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.4 F 0.37 C 0.22 C Shift Assignments>> C :: 175.024 CA :: 59.086(D) CB :: 38.942 CD1 :: 132.274 CD2 :: 132.274 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 :: 9.472(D) HA :: 4.318 HB2 :: 2.620 HD1 :: 6.554 HD2 :: 6.554 HE1 :: 6.949 HE2 :: 6.949 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 :: 122.096(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.64 C 0.24 A 0.07 R 0.02 C Shift Assignments>> C :: 179.278 CA :: 54.605(D) CB :: 41.806 CG :: 27.042 CD1 :: 25.257 CD2 :: 22.638 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 :: 8.639(D) HA :: 4.421 HB2 :: 1.906 HB3 :: 1.636 HG :: 1.752 HD11 :: 0.950 HD12 :: 0.950 HD13 :: 0.950 HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.462(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 179.379 CA :: 66.107(D) CB :: 31.511 CG1 :: 22.478 CG2 :: 19.621 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 :: 8.088(D) HA :: 3.616 HB :: 2.265 HG11 :: 1.139 HG12 :: 1.139 HG13 :: 1.139 HG21 :: 1.231 HG22 :: 1.231 HG23 :: 1.231 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 :: 116.246(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.46 R 0.3 K 0.12 G 0.09 C Shift Assignments>> C :: 175.114 CA :: 56.171(D) CB :: 30.245 CG :: 29.333 CD :: 43.458 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 :: 8.067(D) HA :: 4.870 HB2 :: 2.408 HB3 :: 2.410 HG2 :: 3.411(S) HG3 :: 3.415(S) 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 :: 112.445(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.I41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.64 I 0.33 A 0.01 HN Overlap>> 1.E65 1.E65 C Shift Assignments>> C :: 180.815 CA :: 58.224(D) CB :: 38.040 CG1 :: 28.235 CG2 :: 16.685 CD1 :: 10.595 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 :: 7.412(D) HA :: 4.192 HB :: 1.950 HG12 :: 1.346 HG13 :: 1.280 HG21 :: 0.171 HG22 :: 0.171 HG23 :: 0.171 HD11 :: 0.731 HD12 :: 0.731 HD13 :: 0.731 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.703(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 175.520 CA :: 62.404(D) CB :: 37.805 CG1 :: 26.993 CG2 :: 17.968 CD1 :: 13.622 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 :: 7.973(D) HA :: 3.453 HB :: 1.297 HG12 :: -0.418(S) HG21 :: 0.501 HG22 :: 0.501 HG23 :: 0.501 HD11 :: 0.648 HD12 :: 0.648 HD13 :: 0.648 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 :: 124.492(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Y43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.59 C 0.39 C Shift Assignments>> C :: 175.232 CA :: 57.032(D) CB :: 41.213 CE1 :: 119.380 CE2 :: 119.380 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.987(D) HA :: 4.490 HB2 :: 2.846 HB3 :: 2.728 HD1 :: 7.103 HD2 :: 7.103 HE1 :: 7.277 HE2 :: 7.277 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 :: 126.526(D) Ave N Shift Values>> N :: 120.52(4.2) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.2 D 0.17 R 0.11 F 0.09 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 179.636 CA :: 55.547 CB :: 42.147 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 :: 8.805 HA :: 4.417 HB2 :: 2.551 HB3 :: 2.786 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 :: 122.245 Ave N Shift Values>> N :: 120.65(3.86) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 C 0.13 I 0.1 L 0.06 D 0.05 K 0.01 N 0.01 C Shift Assignments>> C :: 178.035 CA :: 58.204 CB :: 39.987 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 :: 9.655 HA :: 4.087 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 129.990 Ave N Shift Values>> N :: 120.65(3.86) 1.S46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.24 I 0.22 V 0.22 P 0.09 C 0.06 F 0.03 Y 0.03 S 0.02 W 0.02 C Shift Assignments>> C :: 175.523 CA :: 62.012(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.979(D) HA :: 4.420 HB2 :: 4.167 HB3 :: 3.935 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 :: 114.422(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 K 0.14 V 0.12 W 0.1 R 0.09 M 0.09 H 0.07 E 0.06 Q 0.04 C Shift Assignments>> C :: 178.753 CA :: 59.197(D) CB :: 32.289 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 :: 7.467(D) HA :: 4.150 HE2 :: 3.159 HE3 :: 3.097 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.891(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.548 CA :: 67.051(D) CB :: 68.993 CG2 :: 20.662 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 :: 7.539(D) HA :: 3.673 HB :: 3.734 HG1 :: 5.670 HG21 :: 0.740 HG22 :: 0.740 HG23 :: 0.740 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 :: 114.530(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 179.275 CA :: 62.183(D) CB :: 36.993 CD1 :: 132.865 CD2 :: 132.865 CE1 :: 117.853 CE2 :: 117.853 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.162(D) HA :: 3.915 HB2 :: 3.135 HB3 :: 2.853 HD1 :: 7.069 HD2 :: 7.069 HE1 :: 6.706 HE2 :: 6.706 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.074(D) Ave N Shift Values>> N :: 120.52(4.2) 1.D50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.28 C 0.13 D 0.08 I 0.08 L 0.08 N 0.02 K 0.01 HN Overlap>> 1.I14 1.I14 C Shift Assignments>> C :: 179.854 CA :: 57.612(D) CB :: 39.835 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 :: 9.024(D) HA :: 4.415 HB2 :: 2.530 HB3 :: 2.761 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 :: 120.741(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 C 0.39 R 0.07 G 0.03 C Shift Assignments>> C :: 178.407 CA :: 58.404(D) CB :: 42.765 CG :: 27.091 CD1 :: 25.234 CD2 :: 23.662 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 :: 7.865(D) HA :: 3.821 HB2 :: 1.949 HG :: 1.745 HD11 :: 0.684 HD12 :: 0.684 HD13 :: 0.684 HD21 :: 0.548 HD22 :: 0.548 HD23 :: 0.548 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 :: 121.630(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.544 CA :: 67.608(D) CB :: 31.389 CG1 :: 23.276 CG2 :: 20.703 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 :: 8.145(D) HA :: 3.325 HB :: 2.089 HG11 :: 0.867 HG12 :: 0.867 HG13 :: 0.867 HG21 :: 0.860 HG22 :: 0.860 HG23 :: 0.860 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 :: 119.729(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.59 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 180.924 CA :: 55.321(D) CB :: 17.902 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) HA :: 4.070 HB1 :: 1.498 HB2 :: 1.498 HB3 :: 1.498 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.963(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.52 L 0.18 C 0.12 M 0.08 V 0.04 T 0.02 HN Overlap>> 1.V76 1.V76 C Shift Assignments>> C :: 178.811 CA :: 55.156(D) CB :: 20.694 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.102(D) HA :: 4.076 HB1 :: 1.451 HB2 :: 1.451 HB3 :: 1.451 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.289(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.67 A 0.26 I 0.03 C 0.01 C Shift Assignments>> C :: 178.423 CA :: 55.169(D) CB :: 17.176 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.910(D) HA :: 3.764 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.859(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.863 CA :: 61.513(D) CB :: 63.374 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.281(D) HA :: 4.175 HB2 :: 3.998 HB3 :: 3.901 HG :: 5.195 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.691(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.47 K 0.45 R 0.05 C Shift Assignments>> C :: 178.974 CA :: 59.294(D) CB :: 32.921 CG :: 24.627 CD :: 29.465 CE :: 42.129 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 :: 7.448(D) HA :: 4.016 HB2 :: 1.892 HG2 :: 1.431 HG3 :: 1.253 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 :: 120.080(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.827 CA :: 66.081(D) CB :: 32.700 CG1 :: 22.553 CG2 :: 21.299 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 :: 8.520(D) HA :: 3.552 HB :: 1.656 HG11 :: 0.844 HG12 :: 0.844 HG13 :: 0.844 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 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 :: 119.111(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 C 0.25 A 0.23 C Shift Assignments>> C :: 176.340 CA :: 54.814(D) CB :: 41.084 CG :: 26.245 CD1 :: 24.490(D) CD2 :: 21.382(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.508(D) HA :: 4.002 HB2 :: 1.136 HG :: 1.553 HD11 :: 0.320 HD12 :: 0.320 HD13 :: 0.320 HD21 :: 0.161(D) HD22 :: 0.161(D) HD23 :: 0.161(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.953(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.45 C 0.36 D 0.1 E 0.05 Q 0.01 C Shift Assignments>> C :: 173.692 CA :: 54.120(D) CB :: 36.942 CG :: 178.470 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 :: 7.575(D) HA :: 4.281 HB2 :: 3.128 HB3 :: 2.553 HD21 :: 7.456(D) HD22 :: 6.750(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 :: 116.055(D) ND2 :: 111.740(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.35 C 0.3 L 0.18 A 0.15 C Shift Assignments>> C :: 176.106 CA :: 52.903(D) CB :: 47.160 CG :: 26.043 CD1 :: 25.780 CD2 :: 23.167 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 :: 7.616(D) HA :: 4.698 HB2 :: 1.330 HB3 :: 1.156 HG :: 1.432 HD11 :: 0.706 HD12 :: 0.706 HD13 :: 0.706 HD21 :: 0.845 HD22 :: 0.845 HD23 :: 0.845 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 :: 117.218(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.63 D 0.24 C 0.12 C Shift Assignments>> C :: 175.972 CA :: 53.551(D) CB :: 39.480 CG :: 176.570 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 :: 9.038(D) HA :: 4.483 HB2 :: 2.908 HB3 :: 2.752 HD21 :: 7.122(D) HD22 :: 7.841(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 :: 120.272(D) ND2 :: 114.516(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.66 A 0.2 I 0.09 C 0.03 C Shift Assignments>> C :: 178.818 CA :: 56.133(D) CB :: 17.894 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.045(D) HA :: 3.769 HB1 :: 1.372 HB2 :: 1.372 HB3 :: 1.372 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.548(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.51 P 0.2 C 0.1 A 0.09 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 175.876 CA :: 47.999(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.552(D) HA2 :: 3.791 HA3 :: 3.733 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.005(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 V 0.12 W 0.12 K 0.12 R 0.1 M 0.08 H 0.08 E 0.07 Q 0.03 HN Overlap>> 1.I41 1.I41 C Shift Assignments>> C :: 179.959 CA :: 59.380(D) CB :: 31.968 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 :: 7.412(D) HA :: 3.998 HB2 :: 2.187 HG2 :: 2.005 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 :: 120.703(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 177.876 CA :: 64.167(D) CB :: 36.642 CG1 :: 28.536 CG2 :: 16.790 CD1 :: 12.938 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 :: 7.758(D) HA :: 3.700 HB :: 2.021 HG12 :: 1.415 HG13 :: 0.997 HG21 :: 0.713 HG22 :: 0.713 HG23 :: 0.713 HD11 :: 0.619 HD12 :: 0.619 HD13 :: 0.619 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 :: 119.336(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.46 C 0.46 K 0.04 G 0.02 C Shift Assignments>> C :: 179.050 CA :: 58.490(D) CB :: 42.366 CD1 :: 26.197 CD2 :: 23.384 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 :: 8.858(D) HA :: 3.981 HD11 :: 1.008 HD12 :: 1.008 HD13 :: 1.008 HD21 :: 0.733 HD22 :: 0.733 HD23 :: 0.733 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 :: 119.923(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.79 Q 0.13 E 0.07 HN Overlap>> 1.L31 1.K129 1.L31 1.K129 C Shift Assignments>> C :: 179.987 CA :: 60.822(D) CB :: 26.924 CG :: 35.282 CD :: 179.572 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 :: 8.210(D) HA :: 4.128 HG2 :: 2.880 HG3 :: 2.532 HE21 :: 8.083(D) HE22 :: 6.828(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 :: 118.980(D) NE2 :: 110.915(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.61 M 0.37 I 0.01 C Shift Assignments>> C :: 178.787 CA :: 59.633(D) CB :: 33.879 CG :: 31.610 CE :: 16.289 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 :: 8.163(D) HA :: 4.007 HB2 :: 2.165 HB3 :: 2.329 HG2 :: 2.552 HG3 :: 2.785 HE1 :: 2.042 HE2 :: 2.042 HE3 :: 2.042 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 :: 120.799(D) Ave N Shift Values>> N :: 120.09(3.57) 1.F70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.25 I 0.25 C 0.21 F 0.19 E 0.05 C Shift Assignments>> C :: 177.223 CA :: 59.548(D) CB :: 38.060 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 :: 9.218(D) HA :: 4.259(D) HB2 :: 3.088 HD1 :: 6.964 HD2 :: 6.964 HE1 :: 6.845 HE2 :: 6.845 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 :: 122.069(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.58 A 0.15 G 0.1 N 0.06 C 0.05 D 0.01 C Shift Assignments>> C :: 173.754 CA :: 48.607(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.585(D) HA2 :: 3.932 HA3 :: 3.416 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.920(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 V 0.17 W 0.12 K 0.08 R 0.08 E 0.07 H 0.06 M 0.05 P 0.02 Q 0.02 I 0.01 C Shift Assignments>> C :: 178.269 CA :: 60.068(D) CB :: 31.738 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 :: 7.525(D) HA :: 4.014 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 :: 120.939(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.44 C 0.42 A 0.1 V 0.01 C Shift Assignments>> C :: 177.562 CA :: 56.490(D) CB :: 32.270 CE :: 18.098 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 :: 8.132(D) HA :: 4.407 HE1 :: 1.963 HE2 :: 1.963 HE3 :: 1.963 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 :: 117.814(D) Ave N Shift Values>> N :: 120.09(3.57) 1.F74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.54 C 0.17 Y 0.14 F 0.12 HN Overlap>> 1.Q143 1.R139 1.Q143 1.R139 C Shift Assignments>> C :: 177.262 CA :: 62.144(D) CB :: 38.564 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 :: 9.362(D) HA :: 3.987 HB2 :: 3.063 HB3 :: 2.613 HD1 :: 6.859 HD2 :: 6.859 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 :: 121.280(D) Ave N Shift Values>> N :: 120.45(4.18) 1.F75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.62 C 0.16 Y 0.1 F 0.09 C Shift Assignments>> C :: 176.102 CA :: 62.871(D) CB :: 38.509 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 :: 7.959(D) HA :: 3.770 HB2 :: 3.410 HB3 :: 2.904 HE1 :: 6.984 HE2 :: 6.984 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.290(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.92 C 0.07 HN Overlap>> 1.A54 1.A54 C Shift Assignments>> C :: 178.227 CA :: 66.780(D) CB :: 31.345 CG1 :: 22.427 CG2 :: 21.009 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 :: 8.066(D) HA :: 3.463 HB :: 2.301 HG11 :: 1.131 HG12 :: 1.131 HG13 :: 1.131 HG21 :: 0.862 HG22 :: 0.862 HG23 :: 0.862 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.359(D) Ave N Shift Values>> N :: 121.14(4.54) 1.F77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.25 I 0.25 C 0.17 L 0.01 C Shift Assignments>> C :: 179.099 CA :: 59.686(D) CB :: 39.136 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 :: 8.993(D) HA :: 4.361 HB2 :: 3.001 HD1 :: 7.055 HD2 :: 7.055 HE1 :: 7.178 HE2 :: 7.178 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 :: 120.413(D) Ave N Shift Values>> N :: 120.45(4.18) 1.C78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.41 P 0.4 C 0.14 V 0.02 C Shift Assignments>> C :: 177.000 CA :: 64.978(D) CB :: 25.605 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.300(D) HA :: 3.495 HB2 :: 2.855 HB3 :: 1.967 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 :: 120.424(D) Ave N Shift Values>> N :: 120.17(4.64) 1.Q79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 K 0.21 Q 0.2 E 0.1 I 0.05 R 0.02 M 0.01 C Shift Assignments>> C :: 179.315 CA :: 59.724(D) CB :: 28.882 CG :: 34.260 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 :: 8.056(D) HA :: 3.619 HB2 :: 1.846 HB3 :: 1.801 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.714(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.16 E 0.14 R 0.11 H 0.11 Q 0.09 K 0.08 I 0.04 M 0.03 V 0.02 C Shift Assignments>> C :: 178.291 CA :: 58.925(D) CB :: 29.916 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 :: 8.633(D) HA :: 3.896 HB2 :: 2.005 HB3 :: 2.211 HG2 :: 2.534 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 :: 119.865(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.323 CA :: 58.578(D) CB :: 63.858 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.430(D) HA :: 4.333 HB2 :: 3.620 HB3 :: 3.374 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.461(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 175.363 CA :: 45.628(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.494(D) HA2 :: 3.936 HA3 :: 3.736 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.819(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.6 Y 0.37 H 0.01 C Shift Assignments>> CD1 :: 131.867 CD2 :: 131.867 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 :: 8.093(D) HD1 :: 6.525 HD2 :: 6.525 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 :: 117.543(D) Ave N Shift Values>> N :: 120.52(4.2) 1.D84 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.861(D) HA :: 4.530 HB2 :: 2.250 HB3 :: 2.585 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.803(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.94 C 0.05 C Shift Assignments>> CA :: 66.416 CB :: 67.983 CG2 :: 22.370 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>> HA :: 4.704 HB :: 4.057 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 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) 1.I86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L87 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.66 C 0.32 I 0.01 C Shift Assignments>> CA :: 62.729(D) CB :: 31.481 CG1 :: 20.663 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.699(D) HA :: 4.070 HB :: 2.240 HG11 :: 0.854 HG12 :: 0.854 HG13 :: 0.854 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 111.791(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.65 C 0.31 G 0.01 C Shift Assignments>> C :: 176.454 CA :: 56.733(D) CB :: 42.401 CD1 :: 25.510 CD2 :: 23.333 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>> HA :: 4.006 HB2 :: 1.950 HD11 :: 1.053 HD12 :: 1.053 HD13 :: 1.053 HD21 :: 1.184 HD22 :: 1.184 HD23 :: 1.184 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) 1.G91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.932 CA :: 46.036(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.461(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 100.420(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.923 CA :: 59.119(D) CB :: 64.283 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.275(D) HA :: 4.669 HB2 :: 3.964 HB3 :: 3.897 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 :: 116.455(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.79 C 0.1 D 0.09 HN Overlap>> 1.T177 1.T177 C Shift Assignments>> C :: 173.889 CA :: 51.525(D) CB :: 39.668 CG :: 175.359 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 :: 7.606(D) HA :: 4.194 HB2 :: 2.975 HB3 :: 2.988 HD21 :: 7.358(D) HD22 :: 6.672(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.498(D) ND2 :: 113.673(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 175.644 CA :: 66.773(D) CB :: 31.260 CG1 :: 23.584 CG2 :: 20.429 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 :: 8.465(D) HA :: 3.015 HB :: 1.828 HG11 :: 0.794 HG12 :: 0.794 HG13 :: 0.794 HG21 :: 0.679 HG22 :: 0.679 HG23 :: 0.679 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 :: 118.472(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.52 R 0.34 G 0.09 K 0.03 C Shift Assignments>> C :: 177.548 CA :: 60.537(D) CB :: 29.648 CG :: 28.065 CD :: 43.292 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 :: 8.113(D) HA :: 3.684 HB2 :: 1.703 HG2 :: 1.491 HG3 :: 1.389 HD3 :: 3.113 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 :: 120.318(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.E96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.46 E 0.35 I 0.07 M 0.06 Q 0.01 K 0.01 C Shift Assignments>> C :: 177.924 CA :: 59.465(D) CB :: 30.916 CG :: 36.536 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 :: 8.327(D) HA :: 3.868 HB2 :: 1.967 HB3 :: 1.810 HG2 :: 2.340 HG3 :: 2.449 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 :: 117.963(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 T 0.18 V 0.17 C 0.09 S 0.05 F 0.05 Y 0.05 P 0.04 W 0.04 E 0.01 R 0.01 K 0.01 H 0.01 HN Overlap>> 1.K27 1.K27 C Shift Assignments>> C :: 175.628 CA :: 61.239(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.830(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 :: 117.907(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.48 K 0.37 L 0.12 C Shift Assignments>> C :: 179.559 CA :: 57.439(D) CB :: 41.932 CD1 :: 23.409 CD2 :: 27.739 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 :: 8.071(D) HA :: 3.513 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 HD21 :: 0.773 HD22 :: 0.773 HD23 :: 0.773 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 :: 115.883(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.42 Q 0.35 E 0.21 C Shift Assignments>> C :: 177.366 CA :: 58.329(D) CB :: 28.673 CG :: 34.598 CD :: 180.577(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.227(D) HA :: 3.965 HB2 :: 2.035 HB3 :: 2.157 HG2 :: 2.417 HG3 :: 2.620 HE21 :: 7.390(D) HE22 :: 6.815(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 :: 115.859(D) NE2 :: 110.452(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.61 D 0.28 C 0.1 C Shift Assignments>> C :: 175.707(D) CA :: 53.111(D) CB :: 39.218 CG :: 177.348 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 :: 7.665(D) HA :: 5.043 HB2 :: 2.959 HB3 :: 2.747 HD21 :: 6.734(D) HD22 :: 6.799 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 :: 116.229(D) ND2 :: 109.405(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.54 C 0.43 K 0.01 C Shift Assignments>> CA :: 58.075(D) CB :: 41.627 CD1 :: 23.848(D) CD2 :: 25.526(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.233(D) HA :: 3.706 HB2 :: 1.620 HB3 :: 1.085 HD11 :: 0.109(D) HD12 :: 0.109(D) HD13 :: 0.109(D) HD21 :: 0.180(D) HD22 :: 0.180(D) HD23 :: 0.180(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 :: 121.824(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.29 F 0.28 C 0.15 I 0.08 D 0.07 L 0.06 N 0.02 C Shift Assignments>> C :: 178.380(D) CA :: 57.505(D) CB :: 39.434 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>> HA :: 4.694 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) 1.A103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.58 M 0.37 C 0.02 I 0.01 C Shift Assignments>> CA :: 54.298(D) CB :: 18.378 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.925(D) HA :: 4.233 HB1 :: 1.406 HB2 :: 1.406 HB3 :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.818(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.53 C 0.45 C Shift Assignments>> CA :: 58.127 CB :: 41.284 CD1 :: 23.378 CD2 :: 25.276 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>> HA :: 3.906 HD11 :: 0.563 HD12 :: 0.563 HD13 :: 0.563 HD21 :: 0.381 HD22 :: 0.381 HD23 :: 0.381 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) 1.H105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H107 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.56 L 0.39 A 0.02 C Shift Assignments>> CA :: 57.454 CB :: 41.298 CD1 :: 22.008 CD2 :: 25.358 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>> HA :: 3.712 HD11 :: 0.412 HD12 :: 0.412 HD13 :: 0.412 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) 1.A109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 64.415 CB :: 69.174 CG2 :: 21.283 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 :: 7.428(D) HA :: 3.986 HB :: 4.148 HG21 :: 1.161 HG22 :: 1.161 HG23 :: 1.161 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.935(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> CA :: 62.662 CB :: 38.495 CG1 :: 26.648 CG2 :: 17.375 CD1 :: 12.544 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 :: 6.978 HA :: 3.683 HB :: 1.262 HG21 :: 0.110 HG22 :: 0.110 HG23 :: 0.110 HD11 :: 0.413 HD12 :: 0.413 HD13 :: 0.413 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.201 Ave N Shift Values>> N :: 121.46(4.28) 1.Y112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.57 H 0.34 W 0.07 C Shift Assignments>> CE1 :: 117.292 CE2 :: 117.292 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>> HD1 :: 6.865 HD2 :: 6.865 HE1 :: 6.421 HE2 :: 6.421 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) 1.P113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 63.697 CB :: 31.731 CG :: 27.587 CD :: 50.620 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) H Shift Assignments>> HA :: 4.560 HB2 :: 2.325 HB3 :: 1.944 HG2 :: 1.947 HG3 :: 2.053 HD2 :: 3.434 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 175.395 CA :: 45.350(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.110 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.839 Ave N Shift Values>> N :: 109.67(3.87) 1.M115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.54 M 0.4 I 0.04 C Shift Assignments>> C :: 175.758 CA :: 58.104(D) CB :: 34.336 CE :: 16.370 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 :: 8.261(D) HA :: 4.218 HB2 :: 2.152 HB3 :: 1.961 HE1 :: 1.261 HE2 :: 1.261 HE3 :: 1.261 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.002(D) Ave N Shift Values>> N :: 120.09(3.57) 1.R116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.29 C 0.25 L 0.23 G 0.13 K 0.07 C Shift Assignments>> C :: 175.320 CA :: 54.358(D) CB :: 28.569 CG :: 26.125 CD :: 43.672 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 :: 9.832(D) HA :: 4.708 HB2 :: 1.781 HG2 :: 1.766 HG3 :: 1.654 HD2 :: 3.271 HD3 :: 3.242 HE :: 7.343 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 :: 131.452(D) NE :: 85.082 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.A117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.11 C Shift Assignments>> CA :: 51.101(D) CB :: 17.993 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.412(D) HA :: 4.563 HB1 :: 1.231 HB2 :: 1.231 HB3 :: 1.231 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.815(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.49 C 0.23 P 0.17 I 0.02 K 0.01 W 0.01 Q 0.01 C Shift Assignments>> C :: 174.953 CA :: 62.596(D) CB :: 33.558 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) H Shift Assignments>> HA :: 4.930 HD2 :: 3.745 HD3 :: 3.955 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 171.856 CA :: 57.020(D) CB :: 65.418 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.585(D) HA :: 5.035 HB2 :: 3.571 HB3 :: 3.517 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.620(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.5 L 0.23 R 0.1 C 0.07 F 0.03 Y 0.02 D 0.02 HN Overlap>> 1.I149 1.I149 C Shift Assignments>> C :: 176.079 CA :: 56.682(D) CB :: 44.886 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 :: 8.348(D) HA :: 6.339(D) HD1 :: 6.950 HD2 :: 6.950 HE1 :: 7.061 HE2 :: 7.061 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 :: 120.908(D) Ave N Shift Values>> N :: 120.45(4.18) 1.R121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.47 R 0.28 K 0.17 G 0.06 HN Overlap>> 1.K151 1.K151 C Shift Assignments>> C :: 174.737 CA :: 55.385(D) CB :: 34.219 CG :: 27.317 CD :: 43.077 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 :: 8.861(D) HA :: 4.809 HB2 :: 1.860 HB3 :: 1.728 HG2 :: 1.534 HG3 :: 1.522 HD2 :: 3.072 HD3 :: 3.072 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 :: 117.874(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.C122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 E 0.15 C 0.14 R 0.13 H 0.13 Q 0.11 K 0.08 M 0.05 I 0.02 V 0.01 C Shift Assignments>> C :: 174.533 CA :: 57.808(D) CB :: 30.108 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.383(D) HA :: 6.093(D) HB2 :: 2.760 HB3 :: 2.705 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 :: 123.697(D) Ave N Shift Values>> N :: 120.17(4.64) 1.T123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 172.929 CA :: 60.639(D) CB :: 71.942 CG2 :: 22.038 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 :: 9.667(D) HA :: 4.737 HB :: 4.438 HG21 :: 1.165 HG22 :: 1.165 HG23 :: 1.165 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 :: 119.536(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 D 0.21 K 0.19 F 0.1 Y 0.07 R 0.05 C 0.05 N 0.03 C Shift Assignments>> C :: 176.889 CA :: 55.412(D) CB :: 41.711 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 :: 8.527(D) HA :: 4.793 HB2 :: 2.752 HB3 :: 2.458 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 :: 120.774(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 177.460 CA :: 52.188(D) CB :: 18.950 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.024(D) HA :: 4.180 HB1 :: 1.114 HB2 :: 1.114 HB3 :: 1.114 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.029(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.39 C 0.37 I 0.08 K 0.06 M 0.04 Q 0.03 C Shift Assignments>> C :: 176.673 CA :: 58.287(D) CB :: 29.903 CG :: 36.429 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 :: 8.668(D) HA :: 4.009 HB2 :: 1.971 HG2 :: 2.268 HG3 :: 2.218 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 :: 120.727(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.47 C 0.4 R 0.11 C Shift Assignments>> C :: 176.295 CA :: 56.520(D) CB :: 33.014 CG :: 24.752 CD :: 29.043 CE :: 42.055 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 :: 8.104(D) HA :: 4.278 HB2 :: 1.805 HB3 :: 1.729 HG2 :: 1.331 HG3 :: 1.323 HD2 :: 1.611 HD3 :: 1.636 HE3 :: 2.921 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 :: 117.311(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 174.014 CA :: 45.365 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.314 HA2 :: 4.032 HA3 :: 3.800 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.031 Ave N Shift Values>> N :: 109.67(3.87) 1.K129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.43 C 0.35 R 0.2 HN Overlap>> 1.L31 1.L31 1.Q68 1.Q68 C Shift Assignments>> C :: 176.488 CA :: 55.936(D) CB :: 32.497 CE :: 42.060 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 :: 8.217(D) HA :: 4.454 HB2 :: 1.651 HB3 :: 1.909 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.998(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 172.446 CA :: 45.238(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.265(D) HA2 :: 4.185 HA3 :: 4.019 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.386(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.56 C 0.21 L 0.2 C Shift Assignments>> C :: 174.373 CA :: 53.972(D) CB :: 45.886 CG :: 26.554 CD1 :: 25.145 CD2 :: 26.620 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 :: 8.823(D) HA :: 4.900 HB2 :: 1.499 HB3 :: 1.435 HG :: 1.582 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 HD21 :: 0.789 HD22 :: 0.789 HD23 :: 0.789 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 :: 121.783(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.53 I 0.46 C Shift Assignments>> C :: 175.119 CA :: 58.874(D) CB :: 36.939 CG1 :: 27.089 CG2 :: 16.480 CD1 :: 11.876 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 :: 9.289(D) HA :: 5.118 HB :: 1.964 HG12 :: 1.294 HG13 :: 0.988 HG21 :: 0.239 HG22 :: 0.239 HG23 :: 0.239 HD11 :: 0.728 HD12 :: 0.728 HD13 :: 0.728 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.701(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.58 C 0.22 L 0.17 A 0.01 C Shift Assignments>> C :: 174.937 CA :: 52.878(D) CB :: 46.202 CG :: 27.871 CD1 :: 26.272 CD2 :: 24.410 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 :: 9.157(D) HA :: 5.225 HG :: 1.726 HD11 :: 0.663 HD12 :: 0.663 HD13 :: 0.663 HD21 :: 1.148 HD22 :: 1.148 HD23 :: 1.148 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 :: 127.669(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 C 0.12 W 0.12 E 0.12 Q 0.11 M 0.1 K 0.08 C Shift Assignments>> C :: 173.350 CA :: 55.820(D) CB :: 30.779 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 :: 10.033(D) HA :: 4.895 HD2 :: 7.009 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 :: 128.883(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.66 C 0.28 G 0.05 C Shift Assignments>> C :: 172.648 CA :: 54.811(D) CB :: 42.409 CD1 :: 133.772 CD2 :: 133.772 CE1 :: 117.171 CE2 :: 117.171 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 :: 9.351(D) HA :: 5.274 HB2 :: 3.291 HB3 :: 2.826 HD1 :: 6.842 HD2 :: 6.842 HE1 :: 6.225 HE2 :: 6.225 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 :: 126.308(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Y136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.24 C 0.2 F 0.19 E 0.09 N 0.09 I 0.05 D 0.04 M 0.02 L 0.02 C Shift Assignments>> C :: 173.701 CA :: 56.565(D) CB :: 38.017 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 :: 9.266(D) HA :: 4.430 HB2 :: 2.690 HB3 :: 2.797 HD1 :: 6.725 HD2 :: 6.725 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 :: 131.613(D) Ave N Shift Values>> N :: 120.52(4.2) 1.S137 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.354 CA :: 56.535(D) CB :: 64.432 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.826(D) HA :: 4.648 HB2 :: 3.374 HB3 :: 2.961(S) 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 :: 114.858(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.14 E 0.14 R 0.14 W 0.14 C 0.12 Q 0.12 K 0.07 M 0.06 I 0.01 C Shift Assignments>> C :: 176.735 CA :: 56.923(D) CB :: 30.192 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 :: 9.422(D) HA :: 4.323 HB2 :: 1.764 HG2 :: 2.238 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 :: 125.427(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 K 0.17 C 0.15 R 0.11 H 0.11 Q 0.09 W 0.07 E 0.05 V 0.01 HN Overlap>> 1.F74 1.F74 C Shift Assignments>> C :: 175.930 CA :: 55.860(D) CB :: 32.430 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 :: 9.324(D) HA :: 4.514 HB2 :: 1.612 HG2 :: 1.434 HG3 :: 1.394 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.339(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.E140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.16 R 0.15 H 0.14 C 0.13 K 0.11 W 0.1 E 0.09 Q 0.07 C Shift Assignments>> C :: 178.754 CA :: 55.486(D) CB :: 31.448 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 :: 8.457(D) HA :: 4.469 HB2 :: 1.881 HB3 :: 1.753 HG2 :: 2.134 HG3 :: 2.083 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.615(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate 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 :: 176.502 CA :: 47.568(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.848(D) HA2 :: 4.118 HA3 :: 4.024 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.181(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.55 C 0.37 L 0.06 C Shift Assignments>> C :: 177.707 CA :: 54.190(D) CB :: 40.251 CD1 :: 21.138 CD2 :: 26.894 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 :: 8.592(D) HA :: 4.700 HB2 :: 1.530 HB3 :: 1.697 HD11 :: 0.464 HD12 :: 0.464 HD13 :: 0.464 HD21 :: 0.505 HD22 :: 0.505 HD23 :: 0.505 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 :: 118.141(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.85 Q 0.14 HN Overlap>> 1.F74 1.F74 C Shift Assignments>> C :: 176.985 CA :: 60.444(D) CB :: 26.390 CG :: 32.470 CD :: 179.927 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 :: 9.408(D) HA :: 4.138 HB2 :: 2.222 HG2 :: 2.732 HG3 :: 2.496 HE21 :: 7.262(D) HE22 :: 7.635(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.183(D) NE2 :: 111.285(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.33 G 0.15 L 0.15 F 0.11 C 0.1 Y 0.07 K 0.03 D 0.01 I 0.01 C Shift Assignments>> C :: 179.204 CA :: 58.777(D) CB :: 43.795 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 :: 9.745(D) HA :: 4.492 HB2 :: 2.613 HB3 :: 2.732 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 :: 119.941(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 177.571 CA :: 65.588(D) CB :: 37.456 CG1 :: 29.410 CG2 :: 16.377 CD1 :: 12.760 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 :: 7.867(D) HA :: 3.715 HB :: 1.787 HG12 :: 1.512 HG13 :: 1.532 HG21 :: 0.487 HG22 :: 0.487 HG23 :: 0.487 HD11 :: 0.170 HD12 :: 0.170 HD13 :: 0.170 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 :: 118.660(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.062 CA :: 67.081(D) CB :: 30.928 CG1 :: 22.324 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 :: 6.782(D) HA :: 3.184(D) HB :: 2.109 HG11 :: 0.540 HG12 :: 0.540 HG13 :: 0.540 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 :: 119.014(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 177.273 CA :: 65.220(D) CB :: 38.474 CG1 :: 29.686 CG2 :: 16.566 CD1 :: 12.839 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 :: 7.627(D) HA :: 3.643 HB :: 1.712 HG21 :: 0.760 HG22 :: 0.760 HG23 :: 0.760 HD11 :: 0.981 HD12 :: 0.981 HD13 :: 0.981 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 :: 118.243(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.57 P 0.15 C 0.1 A 0.08 L 0.02 N 0.02 C Shift Assignments>> C :: 176.230 CA :: 47.908(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.836(D) HA2 :: 4.127 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.917(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.89 C 0.1 HN Overlap>> 1.E188 1.F120 1.E188 1.F120 C Shift Assignments>> C :: 177.564 CA :: 66.395(D) CB :: 38.865 CG1 :: 28.961 CG2 :: 17.534 CD1 :: 15.591 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 :: 8.398(D) HA :: 3.362 HB :: 1.225 HG21 :: 0.375 HG22 :: 0.375 HG23 :: 0.375 HD11 :: -0.013 HD12 :: -0.013 HD13 :: -0.013 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.998(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 177.841 CA :: 65.887(D) CB :: 35.879 CG1 :: 29.818 CG2 :: 17.168 CD1 :: 13.050 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 :: 8.375(D) HA :: 3.323 HB :: 1.649 HG12 :: 1.506 HG13 :: 1.505 HG21 :: 0.665 HG22 :: 0.665 HG23 :: 0.665 HD11 :: 0.511 HD12 :: 0.511 HD13 :: 0.511 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 :: 119.073(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.34 C 0.25 P 0.13 W 0.07 K 0.05 R 0.03 H 0.02 M 0.02 E 0.02 Q 0.01 HN Overlap>> 1.R121 1.R121 C Shift Assignments>> C :: 179.380 CA :: 61.281(D) CB :: 32.375 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 :: 8.826(D) HA :: 3.663 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 :: 117.867(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.43 T 0.23 I 0.15 S 0.09 P 0.04 C 0.03 C Shift Assignments>> C :: 175.397 CA :: 67.216(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.149(D) HA :: 3.805 HB :: 3.944 HG1 :: 5.736 HG21 :: 1.006 HG22 :: 1.006 HG23 :: 1.006 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.228(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 177.920 CA :: 66.765(D) CB :: 31.612 CG1 :: 19.751(D) CG2 :: 23.518 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 :: 8.543(D) HA :: 2.590 HB :: 1.689 HG11 :: 0.019(D) HG12 :: 0.019(D) HG13 :: 0.019(D) HG21 :: 0.630 HG22 :: 0.630 HG23 :: 0.630 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 :: 123.387(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.56 A 0.33 I 0.05 C 0.03 C Shift Assignments>> C :: 178.454 CA :: 55.576(D) CB :: 18.280 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.367(D) HA :: 3.933 HB1 :: 1.310 HB2 :: 1.310 HB3 :: 1.310 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.680(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.51 Q 0.4 E 0.08 C Shift Assignments>> C :: 178.488 CA :: 59.260(D) CB :: 30.232 CG :: 33.754 CD :: 179.930 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 :: 7.274(D) HA :: 3.883 HB2 :: 1.992 HG2 :: 2.308 HG3 :: 2.099 HE21 :: 7.805(D) HE22 :: 6.727(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.946(D) NE2 :: 112.268(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.47 Q 0.44 E 0.07 C Shift Assignments>> C :: 177.443 CA :: 58.434(D) CB :: 28.929 CG :: 34.176 CD :: 179.137 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 :: 8.821(D) HA :: 3.944 HB2 :: 1.619 HE21 :: 6.781(D) HE22 :: 7.575(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 :: 115.376(D) NE2 :: 111.637(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 176.890 CA :: 62.605(D) CB :: 36.227 CG1 :: 28.053 CG2 :: 16.667 CD1 :: 12.311 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 :: 8.353(D) HA :: 3.911 HB :: 1.425 HG12 :: 1.304 HG13 :: 1.013 HG21 :: 0.098 HG22 :: 0.098 HG23 :: 0.098 HD11 :: 0.717 HD12 :: 0.717 HD13 :: 0.717 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 :: 116.051(D) Ave N Shift Values>> N :: 121.46(4.28) 1.H158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.41 H 0.3 W 0.27 C Shift Assignments>> C :: 176.823 CA :: 57.434(D) CB :: 32.578 CD2 :: 120.645 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 :: 6.544(D) HA :: 4.672 HB2 :: 3.358 HB3 :: 3.077 HD2 :: 6.113 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 :: 114.815(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 C 0.09 L 0.04 P 0.03 A 0.03 N 0.01 C Shift Assignments>> C :: 174.262 CA :: 47.533(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.262(D) HA2 :: 3.832 HA3 :: 3.987 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.332(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 171.947 CA :: 60.789(D) CB :: 71.801 CG2 :: 20.346 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 :: 8.420(D) HA :: 4.513 HB :: 3.584 HG21 :: 1.008 HG22 :: 1.008 HG23 :: 1.008 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.660(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 C 0.12 W 0.12 E 0.11 M 0.11 Q 0.1 K 0.08 HN Overlap>> 1.E182 1.E182 C Shift Assignments>> C :: 175.943 CA :: 55.628(D) CB :: 30.862 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 :: 8.564(D) HA :: 4.382 HG2 :: 2.225 HG3 :: 2.007 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 :: 125.239(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.53 I 0.45 A 0.01 C Shift Assignments>> C :: 174.770 CA :: 58.785(D) CB :: 40.778 CG1 :: 25.099 CG2 :: 17.329 CD1 :: 14.634 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 :: 8.145(D) HA :: 5.064 HB :: 1.724 HG12 :: 1.219 HG13 :: 1.019 HG21 :: 0.597 HG22 :: 0.597 HG23 :: 0.597 HD11 :: 0.583 HD12 :: 0.583 HD13 :: 0.583 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.730(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.22 D 0.18 G 0.08 C 0.04 K 0.04 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 174.992 CA :: 53.282(D) CB :: 43.292 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 :: 8.974(D) HA :: 4.844 HB2 :: 2.673 HB3 :: 2.318 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 :: 121.612(D) Ave N Shift Values>> N :: 120.65(3.86) 1.M164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.39 A 0.12 C Shift Assignments>> C :: 172.992 CA :: 55.167(D) CB :: 35.362 CG :: 32.437 CE :: 16.302 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 :: 8.350 HA :: 5.419 HE1 :: 1.438 HE2 :: 1.438 HE3 :: 1.438 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.457 Ave N Shift Values>> N :: 120.09(3.57) 1.K165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.54 K 0.35 A 0.06 G 0.02 R 0.01 C Shift Assignments>> C :: 175.341 CA :: 54.338(D) CB :: 35.803 CG :: 23.362 CD :: 29.346 CE :: 42.127 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 :: 8.494(D) HA :: 4.860 HB2 :: 1.834 HB3 :: 1.739 HG2 :: 1.408 HG3 :: 1.182 HD2 :: 1.594 HD3 :: 1.577 HE2 :: 2.842 HE3 :: 2.834 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 :: 122.613(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 176.586 CA :: 64.034(D) CB :: 31.890 CG1 :: 22.835 CG2 :: 21.363 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 :: 9.225(D) HA :: 3.978 HB :: 1.957 HG11 :: 0.900 HG12 :: 0.900 HG13 :: 0.900 HG21 :: 0.662 HG22 :: 0.662 HG23 :: 0.662 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.236(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.496 CA :: 61.491(D) CB :: 39.574 CG1 :: 26.748 CG2 :: 19.219 CD1 :: 14.032 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 :: 8.667(D) HA :: 4.498 HB :: 1.856 HG12 :: 1.176 HG13 :: 0.766 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 HD11 :: 0.793 HD12 :: 0.793 HD13 :: 0.793 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.384(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.17 R 0.14 C 0.14 K 0.13 H 0.13 W 0.09 E 0.08 Q 0.06 V 0.01 C Shift Assignments>> C :: 173.343 CA :: 55.968(D) CB :: 31.767 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 :: 7.429(D) HA :: 4.282 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.059(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.55 C 0.33 E 0.1 C Shift Assignments>> C :: 174.310 CA :: 54.680(D) CB :: 29.889 CG :: 34.166 CD :: 179.858 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 :: 8.607(D) HA :: 4.355 HE21 :: 7.712(D) HE22 :: 6.795(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 :: 126.722(D) NE2 :: 113.921(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.43 C 0.39 G 0.1 K 0.04 L 0.01 C Shift Assignments>> C :: 175.899 CA :: 57.036(D) CB :: 29.897 CG :: 26.586 CD :: 43.686 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 :: 7.835(D) HA :: 4.003 HB2 :: 1.330 HG2 :: 1.531 HG3 :: 1.434 HD2 :: 3.019 HD3 :: 3.064 HE :: 7.074 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 :: 122.932(D) NE :: 85.206 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.N171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.76 C 0.2 D 0.03 C Shift Assignments>> C :: 175.039 CA :: 53.019(D) CB :: 37.094 CG :: 176.443 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 :: 9.150(D) HA :: 4.560 HB2 :: 3.039 HB3 :: 3.045 HD21 :: 7.006(D) HD22 :: 7.354 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 :: 127.111(D) ND2 :: 111.385(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.16 E 0.12 K 0.11 I 0.1 Q 0.09 H 0.08 R 0.08 M 0.01 V 0.01 C Shift Assignments>> C :: 177.061 CA :: 59.407(D) CB :: 29.176 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 :: 8.814 HA :: 4.012 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 :: 117.227 Ave N Shift Values>> N :: 120.67(3.48) 1.E173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.14 C 0.13 W 0.13 E 0.13 Q 0.1 M 0.09 K 0.08 V 0.01 C Shift Assignments>> C :: 176.001 CA :: 56.697(D) CB :: 30.874 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 :: 8.113(D) HA :: 4.290 HB2 :: 1.940 HB3 :: 2.026 HG2 :: 2.125 HG3 :: 2.242 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 :: 116.483(D) Ave N Shift Values>> N :: 120.67(3.48) 1.C174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.13 K 0.12 Q 0.11 R 0.11 I 0.11 E 0.09 H 0.08 L 0.03 M 0.01 C Shift Assignments>> C :: 173.412 CA :: 58.647(D) CB :: 28.148 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.845(D) HA :: 4.485 HB2 :: 2.633 HB3 :: 2.595 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 :: 120.759(D) Ave N Shift Values>> N :: 120.17(4.64) 1.D175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 N 0.17 L 0.16 F 0.12 Y 0.1 C 0.07 K 0.03 C Shift Assignments>> C :: 174.837 CA :: 54.591 CB :: 40.365 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 :: 8.453(D) HA :: 4.509 HB2 :: 3.140 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.226(D) Ave N Shift Values>> N :: 120.65(3.86) 1.H176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.15 H 0.13 C 0.11 R 0.1 W 0.1 E 0.09 L 0.07 M 0.02 I 0.01 HN Overlap>> 1.F4 1.F4 C Shift Assignments>> C :: 170.895 CA :: 55.293(D) CB :: 28.429 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 :: 7.434(D) HA :: 4.520 HB2 :: 2.475 HB3 :: 2.529 HD2 :: 6.465 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 :: 114.748(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.89 C 0.1 HN Overlap>> 1.N93 1.N93 C Shift Assignments>> C :: 173.791 CA :: 61.697(D) CB :: 70.525 CG2 :: 21.627 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 :: 7.698(D) HA :: 4.506 HB :: 3.980 HG21 :: 0.671 HG22 :: 0.671 HG23 :: 0.671 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.468(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.45 C 0.25 Q 0.22 E 0.03 K 0.02 C Shift Assignments>> C :: 175.059 CA :: 54.137(D) CB :: 31.565 CG :: 33.673 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 :: 8.913(D) HA :: 5.155 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.575(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.43 F 0.27 Y 0.18 G 0.1 C Shift Assignments>> C :: 174.362 CA :: 55.206(D) CB :: 42.572 CD1 :: 129.795 CD2 :: 129.795 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 :: 9.485(D) HA :: 5.564 HD1 :: 6.967 HD2 :: 6.967 HE1 :: 7.061 HE2 :: 7.061 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 :: 120.937(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.44 C 0.21 L 0.2 A 0.07 R 0.05 C Shift Assignments>> C :: 175.888 CA :: 54.339(D) CB :: 44.969 CG :: 28.039 CD1 :: 26.244 CD2 :: 22.485 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 :: 9.210(D) HA :: 5.121 HB2 :: 1.293 HB3 :: 1.680 HG :: 1.290 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 HD21 :: 0.812 HD22 :: 0.812 HD23 :: 0.812 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 :: 123.669(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.56 I 0.43 C Shift Assignments>> C :: 174.745 CA :: 60.783(D) CB :: 40.494 CG1 :: 28.600 CG2 :: 17.834 CD1 :: 16.455 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 :: 9.646(D) HA :: 4.911 HB :: 1.686 HG21 :: 0.718 HG22 :: 0.718 HG23 :: 0.718 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 128.960(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.26 Q 0.23 C 0.2 K 0.15 H 0.04 R 0.03 W 0.02 N 0.01 Y 0.01 HN Overlap>> 1.E161 1.E161 C Shift Assignments>> C :: 175.390 CA :: 54.676(D) CB :: 34.312 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 :: 8.555(D) HA :: 4.687 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 :: 125.278(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 E 0.14 H 0.14 W 0.14 C 0.13 Q 0.11 M 0.07 K 0.06 V 0.01 I 0.01 C Shift Assignments>> C :: 176.338 CA :: 57.132(D) CB :: 30.422 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 :: 9.023(D) HA :: 4.283 HB2 :: 1.820 HB3 :: 1.941 HG2 :: 2.012 HG3 :: 2.141 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 :: 124.111(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K184 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.45 C 0.39 R 0.14 C Shift Assignments>> C :: 176.366 CA :: 56.488(D) CB :: 32.819 CG :: 24.687 CD :: 28.895 CE :: 42.099 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 :: 8.403(D) HA :: 4.229 HB2 :: 1.759 HB3 :: 1.667 HG2 :: 1.340 HD2 :: 1.607 HD3 :: 1.469 HE2 :: 2.913 HE3 :: 2.797 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 :: 124.582(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.15 E 0.13 W 0.13 C 0.12 Q 0.11 M 0.08 K 0.07 C Shift Assignments>> C :: 176.258 CA :: 56.562(D) CB :: 30.567 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 :: 8.518(D) HA :: 4.226 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 :: 122.326(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.786 CA :: 58.062 CB :: 63.970 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.424(D) HA :: 4.419 HB2 :: 3.842 HB3 :: 3.764 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.621(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent 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 0.02 C Shift Assignments>> C :: 176.554 CA :: 56.436 CB :: 32.877 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 :: 8.434 HA :: 4.231 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.707 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.14 E 0.14 W 0.13 Q 0.13 C 0.12 K 0.08 M 0.06 HN Overlap>> 1.I149 1.I149 C Shift Assignments>> C :: 176.111 CA :: 56.533 CB :: 30.149 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 :: 8.398(D) HA :: 4.100 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.019(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H189 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.914 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 :: 8.155 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.903 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H190 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H191 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H192 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H193 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H194 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Z901 Overall Status: Residue type Z90 not supported. ########################################################################### Overall Results: #Consistent: 24 #Clerical: 165 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 180 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 14 Shift Relative Order (SRO) Results: #Consistent: 194 #Suspicious: 0 C Shift Results: #Consistent: 544 #Duplicate: 173 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 856 #Duplicate: 206 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 11 #Duplicate: 177 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Y2 CA = 62.005(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.2263e-01 1.Y2 H = 9.921(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.8297e-02 1.Y2 N = 124.846(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.0301e-01 1.G3 CA = 48.175(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.5013e-02 1.G3 H = 9.643(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.3383e-02 1.G3 N = 109.427(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.4993e-01 1.F4 H = 7.389(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.7746e-01 1.F4 N = 114.714(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.6999e-01 1.V5 CA = 67.247(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.6255e-02 1.V5 H = 7.614(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.1300e-01 1.V5 N = 119.477(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.1414e-01 1.N6 CA = 55.388(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.2562e-01 1.N6 CB = 36.248(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.4847e-01 1.N6 H = 6.718(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.0036e-02 1.N6 N = 116.063(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.7683e-01 1.H7 CA = 58.543(D), Expected = 56.52, Std = 2.3100, ChiSquare = 3.8116e-01 1.H7 H = 8.861(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.6112e-01 1.H7 N = 117.576(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.9715e-01 1.A8 CA = 55.149(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.1027e-01 1.A8 H = 7.502(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.4469e-01 1.A8 N = 119.214(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.5660e-01 1.L9 CA = 57.746(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1822e-01 1.L9 H = 7.118(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.7124e-02 1.L9 N = 119.839(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.0432e-01 1.E10 CA = 58.880(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.5542e-01 1.E10 H = 7.258(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.9225e-02 1.E10 HA = 1.720(S), Expected = 4.25, Std = 0.4100, ChiSquare = 6.7975e-10 1.E10 HG2 = 1.405(S), Expected = 2.27, Std = 0.2100, ChiSquare = 3.8044e-05 1.E10 HG3 = 0.805(S), Expected = 2.25, Std = 0.2200, ChiSquare = 5.0933e-11 1.E10 N = 120.635(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.9198e-01 1.L11 CA = 57.671(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3559e-01 1.L11 H = 7.743(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.5372e-01 1.L11 N = 116.042(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3575e-01 1.L12 CA = 58.715(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.4621e-01 1.L12 H = 7.889(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.9985e-01 1.L12 N = 118.852(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.4054e-01 1.V13 CA = 66.869(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2574e-01 1.V13 H = 7.949(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.1078e-01 1.V13 N = 117.167(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.8151e-01 1.I14 CA = 66.625(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.1308e-02 1.I14 H = 9.008(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.8435e-01 1.I14 N = 120.706(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.6016e-01 1.R15 CA = 59.613(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.1842e-01 1.R15 H = 8.542(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.2054e-01 1.R15 N = 115.694(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.6529e-01 1.N16 CA = 55.070(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.1574e-01 1.N16 H = 7.492(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.7829e-01 1.N16 HD21 = 6.959(D), Expected = 7.35, Std = 0.4800, ChiSquare = 4.1531e-01 1.N16 N = 113.635(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.8888e-01 1.N16 ND2 = 111.717(D), Expected = 112.75, Std = 2.2300, ChiSquare = 6.4320e-01 1.Y17 CA = 59.122(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.9268e-01 1.Y17 H = 8.548(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.5479e-01 1.Y17 N = 117.295(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.4257e-01 1.G18 CA = 45.067(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.3274e-01 1.G18 H = 8.083(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.0395e-01 1.G18 N = 109.336(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.3122e-01 1.P19 CA = 65.444(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.6429e-01 1.E20 CA = 60.281(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.5656e-01 1.E20 H = 9.289(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.0407e-01 1.E20 N = 120.744(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.8303e-01 1.V21 CA = 65.477(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.9630e-01 1.V21 H = 7.486(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.3014e-01 1.V21 N = 120.318(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.5632e-01 1.W22 CA = 59.542(D), Expected = 57.66, Std = 2.5800, ChiSquare = 4.6572e-01 1.W22 H = 7.343(D), Expected = 8.29, Std = 0.7900, ChiSquare = 2.3063e-01 1.W22 HE1 = 10.108(D), Expected = 10.08, Std = 0.6600, ChiSquare = 9.6616e-01 1.W22 N = 119.398(D), Expected = 121.68, Std = 4.1800, ChiSquare = 5.8511e-01 1.W22 NE1 = 128.479(D), Expected = 129.32, Std = 2.1100, ChiSquare = 6.9020e-01 1.E23 CA = 59.641(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.6677e-01 1.E23 H = 7.939(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.0752e-01 1.E23 N = 117.054(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.9877e-01 1.D24 CA = 57.812(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.2407e-01 1.D24 H = 7.691(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.8586e-01 1.D24 N = 120.340(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.3599e-01 1.I25 CA = 66.377(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.5284e-02 1.I25 CD1 = 15.497(D), Expected = 13.43, Std = 1.6700, ChiSquare = 2.1582e-01 1.I25 H = 8.153(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.5185e-01 1.I25 HD11 = 0.985(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.9293e-01 1.I25 HD12 = 0.985(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.9293e-01 1.I25 HD13 = 0.985(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.9293e-01 1.I25 N = 123.006(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.1794e-01 1.K26 CA = 61.232(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.1611e-02 1.K26 H = 8.019(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.7564e-01 1.K26 HG2 = 0.414(S), Expected = 1.37, Std = 0.2600, ChiSquare = 2.3606e-04 1.K26 HG3 = 0.255(S), Expected = 1.35, Std = 0.2800, ChiSquare = 9.2024e-05 1.K26 HE3 = 2.246(S), Expected = 2.91, Std = 0.2000, ChiSquare = 9.0017e-04 1.K26 N = 118.903(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.6902e-01 1.K27 CA = 59.602(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.2803e-01 1.K27 H = 7.830(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.4851e-01 1.K27 N = 117.907(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.0446e-01 1.E28 CA = 58.564(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.5170e-01 1.E28 H = 8.060(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.4722e-01 1.E28 N = 122.451(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.0880e-01 1.A29 CA = 52.004(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.6615e-01 1.A29 H = 7.971(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0271e-01 1.A29 N = 118.741(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.0477e-01 1.Q30 CA = 56.864(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.9073e-01 1.Q30 H = 7.833(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.1187e-01 1.Q30 HE21 = 7.548(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.9369e-01 1.Q30 HE22 = 6.726(D), Expected = 7.02, Std = 0.4400, ChiSquare = 5.0402e-01 1.Q30 N = 113.449(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.3588e-02 1.Q30 NE2 = 112.141(D), Expected = 111.87, Std = 1.7200, ChiSquare = 8.7481e-01 1.L31 CA = 54.245(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.1858e-01 1.L31 H = 8.166(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.2157e-01 1.L31 N = 118.972(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.5899e-01 1.D32 CA = 55.094(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.4225e-01 1.D32 H = 8.705(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.9585e-01 1.D32 N = 120.355(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.3908e-01 1.E33 CA = 56.698(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.6600e-01 1.E33 H = 8.223(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.5609e-01 1.E33 N = 118.783(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.8765e-01 1.E34 CA = 56.647(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.4745e-01 1.E34 H = 8.091(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.8541e-01 1.E34 N = 121.739(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.5870e-01 1.G35 CA = 45.033(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.1299e-01 1.G35 H = 8.182(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1989e-01 1.G35 N = 110.093(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.1296e-01 1.Q36 CA = 55.483(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.1149e-01 1.Q36 H = 7.903(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.9107e-01 1.Q36 N = 119.161(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.3953e-01 1.F37 CA = 59.086(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.9547e-01 1.F37 H = 9.472(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.2248e-01 1.F37 N = 122.096(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.9374e-01 1.L38 CA = 54.605(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.3370e-01 1.L38 H = 8.639(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.2920e-01 1.L38 N = 125.462(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.5570e-01 1.V39 CA = 66.107(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.0598e-01 1.V39 H = 8.088(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.6304e-01 1.V39 N = 116.246(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.8105e-01 1.R40 CA = 56.171(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.9540e-01 1.R40 H = 8.067(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.7671e-01 1.R40 HG2 = 3.411(S), Expected = 1.57, Std = 0.2700, ChiSquare = 9.1984e-12 1.R40 HG3 = 3.415(S), Expected = 1.54, Std = 0.2900, ChiSquare = 1.0095e-10 1.R40 N = 112.445(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.3185e-02 1.I41 CA = 58.224(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.0643e-01 1.I41 H = 7.412(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.0179e-01 1.I41 N = 120.703(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.5961e-01 1.I42 CA = 62.404(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.6702e-01 1.I42 H = 7.973(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.5165e-01 1.I42 HG12 = -0.418(S), Expected = 1.28, Std = 0.4000, ChiSquare = 2.1859e-05 1.I42 N = 124.492(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.7869e-01 1.Y43 CA = 57.032(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.6178e-01 1.Y43 H = 7.987(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.4827e-01 1.Y43 N = 126.526(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.5272e-01 1.S46 CA = 62.012(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.1176e-01 1.S46 H = 8.979(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.3612e-01 1.S46 N = 114.422(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.9761e-01 1.K47 CA = 59.197(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.0708e-01 1.K47 H = 7.467(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.2820e-01 1.K47 N = 118.891(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.6686e-01 1.T48 CA = 67.051(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.2146e-02 1.T48 H = 7.539(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.5820e-01 1.T48 N = 114.530(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.5137e-01 1.Y49 CA = 62.183(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.0637e-01 1.Y49 H = 7.162(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.1267e-01 1.Y49 N = 119.074(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.3063e-01 1.D50 CA = 57.612(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.5003e-01 1.D50 H = 9.024(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.1831e-01 1.D50 N = 120.741(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.8119e-01 1.L51 CA = 58.404(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9120e-01 1.L51 H = 7.865(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.7443e-01 1.L51 N = 121.630(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.5297e-01 1.V52 CA = 67.608(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.3533e-02 1.V52 H = 8.145(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.2866e-01 1.V52 N = 119.729(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.5596e-01 1.A53 CA = 55.321(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.7067e-01 1.A53 H = 8.114(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8603e-01 1.A53 N = 121.963(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.2041e-01 1.A54 CA = 55.156(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0859e-01 1.A54 H = 8.102(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.7026e-01 1.A54 N = 121.289(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.8348e-01 1.A55 CA = 55.169(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0548e-01 1.A55 H = 8.910(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.3668e-01 1.A55 N = 120.859(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.0300e-01 1.S56 CA = 61.513(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.7725e-01 1.S56 H = 8.281(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.9865e-01 1.S56 N = 112.691(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.0792e-01 1.K57 CA = 59.294(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.8667e-01 1.K57 H = 7.448(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.1621e-01 1.K57 N = 120.080(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.9695e-01 1.V58 CA = 66.081(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.0926e-01 1.V58 H = 8.520(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.3138e-01 1.V58 N = 119.111(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.5494e-01 1.L59 CA = 54.814(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.0513e-01 1.L59 CD1 = 24.490(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.8498e-01 1.L59 CD2 = 21.382(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.1655e-01 1.L59 H = 8.508(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.6887e-01 1.L59 HD21 = 0.161(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.9755e-02 1.L59 HD22 = 0.161(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.9755e-02 1.L59 HD23 = 0.161(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.9755e-02 1.L59 N = 114.953(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.6557e-02 1.N60 CA = 54.120(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.5769e-01 1.N60 H = 7.575(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.2464e-01 1.N60 HD21 = 7.456(D), Expected = 7.35, Std = 0.4800, ChiSquare = 8.2522e-01 1.N60 HD22 = 6.750(D), Expected = 7.14, Std = 0.4900, ChiSquare = 4.2608e-01 1.N60 N = 116.055(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.7560e-01 1.N60 ND2 = 111.740(D), Expected = 112.75, Std = 2.2300, ChiSquare = 6.5061e-01 1.L61 CA = 52.903(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.0210e-01 1.L61 H = 7.616(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.4486e-01 1.L61 N = 117.218(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.3395e-01 1.N62 CA = 53.551(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.9533e-01 1.N62 H = 9.038(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.6789e-01 1.N62 HD21 = 7.122(D), Expected = 7.35, Std = 0.4800, ChiSquare = 6.3479e-01 1.N62 HD22 = 7.841(D), Expected = 7.14, Std = 0.4900, ChiSquare = 1.5254e-01 1.N62 N = 120.272(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.3913e-01 1.N62 ND2 = 114.516(D), Expected = 112.75, Std = 2.2300, ChiSquare = 4.2840e-01 1.A63 CA = 56.133(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.3063e-01 1.A63 H = 9.045(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.5903e-01 1.A63 N = 125.548(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.1260e-01 1.G64 CA = 47.999(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.8057e-02 1.G64 H = 8.552(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.3270e-01 1.G64 N = 104.005(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.4324e-01 1.E65 CA = 59.380(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.2431e-01 1.E65 H = 7.412(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.1972e-01 1.E65 N = 120.703(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.9243e-01 1.I66 CA = 64.167(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.4003e-01 1.I66 H = 7.758(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.4270e-01 1.I66 N = 119.336(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.1971e-01 1.L67 CA = 58.490(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.7785e-01 1.L67 H = 8.858(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3397e-01 1.L67 N = 119.923(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.1942e-01 1.Q68 CA = 60.822(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.6932e-02 1.Q68 H = 8.210(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.8648e-01 1.Q68 HE21 = 8.083(D), Expected = 7.24, Std = 0.4500, ChiSquare = 6.1023e-02 1.Q68 HE22 = 6.828(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.6257e-01 1.Q68 N = 118.980(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.0044e-01 1.Q68 NE2 = 110.915(D), Expected = 111.87, Std = 1.7200, ChiSquare = 5.7874e-01 1.M69 CA = 59.633(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.1415e-01 1.M69 H = 8.163(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.7157e-01 1.M69 N = 120.799(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.4258e-01 1.F70 CA = 59.548(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.6786e-01 1.F70 H = 9.218(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.3339e-01 1.F70 HA = 4.259(D), Expected = 4.63, Std = 0.5700, ChiSquare = 5.1513e-01 1.F70 N = 122.069(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.9852e-01 1.G71 CA = 48.607(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.5074e-02 1.G71 H = 8.585(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.9483e-01 1.G71 N = 107.920(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.5113e-01 1.K72 CA = 60.068(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.5640e-01 1.K72 H = 7.525(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.6772e-01 1.K72 N = 120.939(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.7651e-01 1.M73 CA = 56.490(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.6469e-01 1.M73 H = 8.132(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.3107e-01 1.M73 N = 117.814(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.2378e-01 1.F74 CA = 62.144(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.1380e-01 1.F74 H = 9.362(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.6402e-01 1.F74 N = 121.280(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.4260e-01 1.F75 CA = 62.871(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.2294e-02 1.F75 H = 7.959(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.7757e-01 1.F75 N = 119.290(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.8139e-01 1.V76 CA = 66.780(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.3361e-01 1.V76 H = 8.066(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.3813e-01 1.V76 N = 121.359(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.6153e-01 1.F77 CA = 59.686(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.3203e-01 1.F77 H = 8.993(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.7931e-01 1.F77 N = 120.413(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.9294e-01 1.C78 CA = 64.978(D), Expected = 58.30, Std = 3.3300, ChiSquare = 4.4920e-02 1.C78 H = 8.300(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.9314e-01 1.C78 N = 120.424(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.5634e-01 1.Q79 CA = 59.724(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.4053e-01 1.Q79 H = 8.056(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.8104e-01 1.Q79 N = 120.714(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.1896e-01 1.E80 CA = 58.925(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.4252e-01 1.E80 H = 8.633(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.0756e-01 1.E80 N = 119.865(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.1706e-01 1.S81 CA = 58.578(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.4531e-01 1.S81 H = 7.430(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.4968e-01 1.S81 N = 111.461(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.7099e-01 1.G82 CA = 45.628(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.3565e-01 1.G82 H = 7.494(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.9839e-01 1.G82 N = 106.819(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.6131e-01 1.Y83 H = 8.093(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.5583e-01 1.Y83 N = 117.543(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.7844e-01 1.D84 H = 8.861(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.4211e-01 1.D84 N = 118.803(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.3230e-01 1.V89 CA = 62.729(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.3340e-01 1.V89 H = 7.699(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.7773e-01 1.V89 N = 111.791(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.9470e-02 1.L90 CA = 56.733(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.0130e-01 1.G91 CA = 46.036(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.0869e-01 1.G91 H = 7.461(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.8125e-01 1.G91 N = 100.420(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.6840e-02 1.S92 CA = 59.119(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.4715e-01 1.S92 H = 9.275(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.1711e-02 1.S92 N = 116.455(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.6035e-01 1.N93 CA = 51.525(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.8381e-01 1.N93 H = 7.606(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.4399e-01 1.N93 HD21 = 7.358(D), Expected = 7.35, Std = 0.4800, ChiSquare = 9.8670e-01 1.N93 HD22 = 6.672(D), Expected = 7.14, Std = 0.4900, ChiSquare = 3.3953e-01 1.N93 N = 115.498(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.9443e-01 1.N93 ND2 = 113.673(D), Expected = 112.75, Std = 2.2300, ChiSquare = 6.7895e-01 1.V94 CA = 66.773(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.3425e-01 1.V94 H = 8.465(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.9394e-01 1.V94 N = 118.472(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.5676e-01 1.R95 CA = 60.537(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.0295e-01 1.R95 H = 8.113(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.3508e-01 1.R95 N = 120.318(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.9579e-01 1.E96 CA = 59.465(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.0474e-01 1.E96 H = 8.327(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.9594e-01 1.E96 N = 117.963(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.3664e-01 1.F97 CA = 61.239(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.1900e-01 1.F97 H = 7.830(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.6166e-01 1.F97 N = 117.907(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.4294e-01 1.L98 CA = 57.439(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.9311e-01 1.L98 H = 8.071(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.0675e-01 1.L98 N = 115.883(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.2538e-01 1.Q99 CA = 58.329(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.1110e-01 1.Q99 CD = 180.577(D), Expected = 179.69, Std = 1.2900, ChiSquare = 4.9171e-01 1.Q99 H = 8.227(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.9053e-01 1.Q99 HE21 = 7.390(D), Expected = 7.24, Std = 0.4500, ChiSquare = 7.3888e-01 1.Q99 HE22 = 6.815(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.4128e-01 1.Q99 N = 115.859(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.6283e-01 1.Q99 NE2 = 110.452(D), Expected = 111.87, Std = 1.7200, ChiSquare = 4.0970e-01 1.N100 C = 175.707(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.0713e-01 1.N100 CA = 53.111(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.1950e-01 1.N100 H = 7.665(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.8398e-01 1.N100 HD21 = 6.734(D), Expected = 7.35, Std = 0.4800, ChiSquare = 1.9938e-01 1.N100 N = 116.229(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.0272e-01 1.N100 ND2 = 109.405(D), Expected = 112.75, Std = 2.2300, ChiSquare = 1.3361e-01 1.L101 CA = 58.075(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4908e-01 1.L101 CD1 = 23.848(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.8340e-01 1.L101 CD2 = 25.526(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.8527e-01 1.L101 H = 7.233(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.2507e-01 1.L101 HD11 = 0.109(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.2063e-02 1.L101 HD12 = 0.109(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.2063e-02 1.L101 HD13 = 0.109(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.2063e-02 1.L101 HD21 = 0.180(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.7887e-02 1.L101 HD22 = 0.180(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.7887e-02 1.L101 HD23 = 0.180(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.7887e-02 1.L101 N = 121.824(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.9264e-01 1.D102 C = 178.380(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.5787e-01 1.D102 CA = 57.505(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.6553e-01 1.A103 CA = 54.298(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.5865e-01 1.A103 H = 7.925(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.4671e-01 1.A103 N = 122.818(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.0735e-01 1.T110 H = 7.428(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.9030e-01 1.T110 N = 108.935(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.7217e-01 1.G114 CA = 45.350(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.0000e+00 1.M115 CA = 58.104(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.7123e-01 1.M115 H = 8.261(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.9867e-01 1.M115 N = 122.002(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.9225e-01 1.R116 CA = 54.358(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.9641e-01 1.R116 H = 9.832(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.0586e-03 1.R116 N = 131.452(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.7968e-03 1.A117 CA = 51.101(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0310e-01 1.A117 H = 8.412(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.2384e-01 1.A117 N = 124.815(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.5434e-01 1.P118 CA = 62.596(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.2917e-01 1.S119 CA = 57.020(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.1150e-01 1.S119 H = 8.585(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.0519e-01 1.S119 N = 112.620(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.9845e-01 1.F120 CA = 56.682(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.8646e-01 1.F120 H = 8.348(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.8670e-01 1.F120 HA = 6.339(D), Expected = 4.63, Std = 0.5700, ChiSquare = 2.7154e-03 1.F120 N = 120.908(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.1275e-01 1.R121 CA = 55.385(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.4879e-01 1.R121 H = 8.861(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.0866e-01 1.R121 N = 117.874(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.2655e-01 1.C122 CA = 57.808(D), Expected = 58.30, Std = 3.3300, ChiSquare = 8.8254e-01 1.C122 H = 9.383(D), Expected = 8.39, Std = 0.6700, ChiSquare = 1.3832e-01 1.C122 HA = 6.093(D), Expected = 4.66, Std = 0.5500, ChiSquare = 9.1752e-03 1.C122 N = 123.697(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.4718e-01 1.T123 CA = 60.639(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.4158e-01 1.T123 H = 9.667(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.1357e-02 1.T123 N = 119.536(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.8620e-01 1.D124 CA = 55.412(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.2209e-01 1.D124 H = 8.527(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.0830e-01 1.D124 N = 120.774(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.7437e-01 1.A125 CA = 52.188(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.3065e-01 1.A125 H = 8.024(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6927e-01 1.A125 N = 124.029(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.2143e-01 1.E126 CA = 58.287(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.4359e-01 1.E126 H = 8.668(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.6672e-01 1.E126 N = 120.727(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.8693e-01 1.K127 CA = 56.520(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.4504e-01 1.K127 H = 8.104(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.8603e-01 1.K127 N = 117.311(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.2131e-01 1.K129 CA = 55.936(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.4486e-01 1.K129 H = 8.217(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.6411e-01 1.K129 N = 118.998(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.8624e-01 1.G130 CA = 45.238(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3339e-01 1.G130 H = 8.265(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2034e-01 1.G130 N = 108.386(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.4005e-01 1.L131 CA = 53.972(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.3910e-01 1.L131 H = 8.823(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.6161e-01 1.L131 N = 121.783(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.8425e-01 1.I132 CA = 58.874(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.0730e-01 1.I132 H = 9.289(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.3786e-01 1.I132 N = 122.701(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.7185e-01 1.L133 CA = 52.878(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9798e-01 1.L133 H = 9.157(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.5382e-01 1.L133 N = 127.669(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3636e-01 1.H134 CA = 55.820(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.6187e-01 1.H134 H = 10.033(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.3701e-03 1.H134 N = 128.883(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.1548e-02 1.Y135 CA = 54.811(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.8606e-01 1.Y135 H = 9.351(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.5785e-01 1.Y135 N = 126.308(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.6817e-01 1.Y136 CA = 56.565(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.3295e-01 1.Y136 H = 9.266(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.9501e-01 1.Y136 N = 131.613(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.2615e-03 1.S137 CA = 56.535(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.9117e-01 1.S137 H = 7.826(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.4160e-01 1.S137 HB3 = 2.961(S), Expected = 3.85, Std = 0.2700, ChiSquare = 9.9268e-04 1.S137 N = 114.858(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.8623e-01 1.E138 CA = 56.923(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.4935e-01 1.E138 H = 9.422(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.4192e-02 1.E138 N = 125.427(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.7164e-01 1.R139 CA = 55.860(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.9363e-01 1.R139 H = 9.324(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.5560e-02 1.R139 N = 121.339(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.8355e-01 1.E140 CA = 55.486(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.8021e-01 1.E140 H = 8.457(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.2957e-01 1.E140 N = 121.615(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.8597e-01 1.G141 CA = 47.568(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7879e-02 1.G141 H = 8.848(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.2550e-01 1.G141 N = 109.181(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.9945e-01 1.L142 CA = 54.190(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.0199e-01 1.L142 H = 8.592(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.7758e-01 1.L142 N = 118.141(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.4029e-01 1.Q143 CA = 60.444(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.0252e-02 1.Q143 H = 9.408(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.4056e-02 1.Q143 HE21 = 7.262(D), Expected = 7.24, Std = 0.4500, ChiSquare = 9.6101e-01 1.Q143 HE22 = 7.635(D), Expected = 7.02, Std = 0.4400, ChiSquare = 1.6219e-01 1.Q143 N = 121.183(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.1947e-01 1.Q143 NE2 = 111.285(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.3377e-01 1.D144 CA = 58.777(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.4083e-02 1.D144 H = 9.745(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.3356e-02 1.D144 N = 119.941(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.5427e-01 1.I145 CA = 65.588(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3772e-01 1.I145 H = 7.867(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.4362e-01 1.I145 N = 118.660(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.1298e-01 1.V146 CA = 67.081(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.0844e-01 1.V146 H = 6.782(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.4402e-02 1.V146 HA = 3.184(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.2833e-02 1.V146 N = 119.014(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.3958e-01 1.I147 CA = 65.220(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.7798e-01 1.I147 H = 7.627(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.3691e-01 1.I147 N = 118.243(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.5227e-01 1.G148 CA = 47.908(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.6268e-02 1.G148 H = 7.836(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.4725e-01 1.G148 N = 103.917(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.3713e-01 1.I149 CA = 66.395(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.4189e-02 1.I149 H = 8.398(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.6224e-01 1.I149 N = 120.998(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.1404e-01 1.I150 CA = 65.887(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.1051e-01 1.I150 H = 8.375(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.8889e-01 1.I150 N = 119.073(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.7704e-01 1.K151 CA = 61.281(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.8995e-02 1.K151 H = 8.826(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.8914e-01 1.K151 N = 117.867(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.9850e-01 1.T152 CA = 67.216(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.3736e-02 1.T152 H = 7.149(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.8463e-02 1.T152 N = 115.228(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.6776e-01 1.V153 CA = 66.765(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.3498e-01 1.V153 CG1 = 19.751(D), Expected = 21.49, Std = 1.3600, ChiSquare = 2.0101e-01 1.V153 H = 8.543(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.0572e-01 1.V153 HG11 = 0.019(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.8132e-03 1.V153 HG12 = 0.019(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.8132e-03 1.V153 HG13 = 0.019(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.8132e-03 1.V153 N = 123.387(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.2065e-01 1.A154 CA = 55.576(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.1858e-01 1.A154 H = 8.367(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8076e-01 1.A154 N = 120.680(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.7132e-01 1.Q155 CA = 59.260(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.0875e-01 1.Q155 H = 7.274(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.0885e-01 1.Q155 HE21 = 7.805(D), Expected = 7.24, Std = 0.4500, ChiSquare = 2.0928e-01 1.Q155 HE22 = 6.727(D), Expected = 7.02, Std = 0.4400, ChiSquare = 5.0547e-01 1.Q155 N = 114.946(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.6965e-01 1.Q155 NE2 = 112.268(D), Expected = 111.87, Std = 1.7200, ChiSquare = 8.1701e-01 1.Q156 CA = 58.434(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.8374e-01 1.Q156 H = 8.821(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.0837e-01 1.Q156 HE21 = 6.781(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.0773e-01 1.Q156 HE22 = 7.575(D), Expected = 7.02, Std = 0.4400, ChiSquare = 2.0718e-01 1.Q156 N = 115.376(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.0988e-01 1.Q156 NE2 = 111.637(D), Expected = 111.87, Std = 1.7200, ChiSquare = 8.9224e-01 1.I157 CA = 62.605(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.1044e-01 1.I157 H = 8.353(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.1451e-01 1.I157 N = 116.051(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.0631e-01 1.H158 CA = 57.434(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.9235e-01 1.H158 H = 6.544(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.2627e-02 1.H158 N = 114.815(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.2294e-01 1.G159 CA = 47.533(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.0329e-01 1.G159 H = 7.262(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.0037e-01 1.G159 N = 110.332(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.6418e-01 1.T160 CA = 60.789(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.8060e-01 1.T160 H = 8.420(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.7157e-01 1.T160 N = 116.660(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.9405e-01 1.E161 CA = 55.628(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.1819e-01 1.E161 H = 8.564(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.9165e-01 1.E161 N = 125.239(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.8921e-01 1.I162 CA = 58.785(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.9184e-01 1.I162 H = 8.145(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.4263e-01 1.I162 N = 115.730(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.8064e-01 1.D163 CA = 53.282(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.8794e-01 1.D163 H = 8.974(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.5228e-01 1.D163 N = 121.612(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.0319e-01 1.M164 CA = 55.167(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.7239e-01 1.K165 CA = 54.338(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.3512e-01 1.K165 H = 8.494(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.1239e-01 1.K165 N = 122.613(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.7844e-01 1.V166 CA = 64.034(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.8929e-01 1.V166 H = 9.225(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.6286e-01 1.V166 N = 124.236(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.9528e-01 1.I167 CA = 61.491(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.6458e-01 1.I167 H = 8.667(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.6928e-01 1.I167 N = 122.384(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.2908e-01 1.Q168 CA = 55.968(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.7847e-01 1.Q168 H = 7.429(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.8002e-01 1.Q168 N = 121.059(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.4539e-01 1.Q169 CA = 54.680(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.7714e-01 1.Q169 H = 8.607(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.1187e-01 1.Q169 HE21 = 7.712(D), Expected = 7.24, Std = 0.4500, ChiSquare = 2.9423e-01 1.Q169 HE22 = 6.795(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.0910e-01 1.Q169 N = 126.722(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.7726e-02 1.Q169 NE2 = 113.921(D), Expected = 111.87, Std = 1.7200, ChiSquare = 2.3309e-01 1.R170 CA = 57.036(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.0833e-01 1.R170 H = 7.835(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.0673e-01 1.R170 N = 122.932(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.6235e-01 1.N171 CA = 53.019(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.8168e-01 1.N171 H = 9.150(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.9854e-01 1.N171 HD21 = 7.006(D), Expected = 7.35, Std = 0.4800, ChiSquare = 4.7358e-01 1.N171 N = 127.111(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.2354e-02 1.N171 ND2 = 111.385(D), Expected = 112.75, Std = 2.2300, ChiSquare = 5.4047e-01 1.E172 CA = 59.407(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.1801e-01 1.E173 CA = 56.697(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.6564e-01 1.E173 H = 8.113(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.1302e-01 1.E173 N = 116.483(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.2891e-01 1.C174 CA = 58.647(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.1701e-01 1.C174 H = 7.845(D), Expected = 8.39, Std = 0.6700, ChiSquare = 4.1597e-01 1.C174 N = 120.759(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.9899e-01 1.D175 H = 8.453(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.0526e-01 1.D175 N = 126.226(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.4858e-01 1.H176 CA = 55.293(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.9530e-01 1.H176 H = 7.434(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.3590e-01 1.H176 N = 114.748(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.1664e-01 1.T177 CA = 61.697(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.3997e-01 1.T177 H = 7.698(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.8201e-01 1.T177 N = 115.468(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.9194e-01 1.Q178 CA = 54.137(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.5557e-01 1.Q178 H = 8.913(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.4016e-01 1.Q178 N = 123.575(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.0602e-01 1.F179 CA = 55.206(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.6344e-01 1.F179 H = 9.485(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.1817e-01 1.F179 N = 120.937(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.0725e-01 1.L180 CA = 54.339(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.4757e-01 1.L180 H = 9.210(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.3163e-01 1.L180 N = 123.669(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.4276e-01 1.I181 CA = 60.783(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.5764e-01 1.I181 H = 9.646(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.4556e-02 1.I181 N = 128.960(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.9716e-02 1.E182 CA = 54.676(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.0585e-01 1.E182 H = 8.555(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.0294e-01 1.E182 N = 125.278(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.8546e-01 1.E183 CA = 57.132(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.2833e-01 1.E183 H = 9.023(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.4016e-01 1.E183 N = 124.111(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.2276e-01 1.K184 CA = 56.488(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.3367e-01 1.K184 H = 8.403(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.2259e-01 1.K184 N = 124.582(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.4883e-01 1.E185 CA = 56.562(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.1684e-01 1.E185 H = 8.518(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.5000e-01 1.E185 N = 122.326(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.3417e-01 1.S186 H = 8.424(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.0718e-01 1.S186 N = 117.621(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.0323e-01 1.E188 H = 8.398(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.0824e-01 1.E188 N = 121.019(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.2012e-01