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 0.51 C 0.36 A 0.12 C Shift Assignments>> C :: 175.527 CA :: 55.302 CB :: 33.900 CG :: 31.152 CE :: 16.558 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 :: 3.879 HB2 :: 2.005 HB3 :: 1.973 HG2 :: 2.505 HG3 :: 2.489 HE1 :: 2.021 HE2 :: 2.021 HE3 :: 2.021 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.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.431 CA :: 61.369 CB :: 38.222 CG1 :: 27.041 CG2 :: 17.168 CD1 :: 12.605 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 :: 8.280 HA :: 4.112 HB :: 1.808 HG12 :: 1.453 HG13 :: 1.151 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 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 :: 124.294 Ave N Shift Values>> N :: 121.46(4.28) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 173.797 CA :: 45.037 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.545 HA2 :: 3.913 HA3 :: 3.851 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.482 Ave N Shift Values>> N :: 109.67(3.87) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.29 C 0.23 M 0.07 R 0.04 E 0.04 C Shift Assignments>> C :: 175.962 CA :: 55.692 CB :: 29.182 CG :: 33.491 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 :: 8.190 HA :: 4.229 HB2 :: 2.077 HB3 :: 1.929 HG2 :: 2.293 HG3 :: 2.256 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 :: 121.094 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.38 R 0.15 C Shift Assignments>> C :: 176.507 CA :: 56.405 CB :: 32.718 CG :: 24.600 CD :: 28.404 CE :: 41.860 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 :: 8.448 HA :: 4.263 HB2 :: 1.743 HB3 :: 1.720 HG2 :: 1.394 HG3 :: 1.346 HD2 :: 1.639 HD3 :: 1.620 HE2 :: 2.926 HE3 :: 2.896 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 :: 124.115 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 2.M48 2.M48 C Shift Assignments>> C :: 173.969 CA :: 61.814 CB :: 69.765 CG2 :: 21.370 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>> H :: 8.122 HA :: 4.190 HB :: 4.044 HG21 :: 1.034 HG22 :: 1.034 HG23 :: 1.034 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.364 Ave N Shift Values>> N :: 115.42(4.75) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.27 A 0.02 R 0.01 G 0.01 HN Overlap>> 1.A43 1.A43 C Shift Assignments>> C :: 176.683 CA :: 55.057 CB :: 42.165 CG :: 26.858 CD1 :: 24.427 CD2 :: 23.281 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 :: 8.196 HA :: 4.206 HB2 :: 1.391 HB3 :: 1.332 HG :: 1.418 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 HD21 :: 0.737 HD22 :: 0.737 HD23 :: 0.737 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 :: 125.942 Ave N Shift Values>> N :: 121.86(3.9) 1.Y8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.24 C 0.19 I 0.08 D 0.04 N 0.04 E 0.04 L 0.03 M 0.01 C Shift Assignments>> C :: 175.514 CA :: 57.262 CB :: 38.489 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 :: 8.060 HA :: 4.487 HB2 :: 2.928 HB3 :: 2.772 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.752 Ave N Shift Values>> N :: 120.52(4.2) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.536 CA :: 57.825 CB :: 63.961 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.004 HA :: 4.306 HB2 :: 3.692 HB3 :: 3.612 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.212 Ave N Shift Values>> N :: 116.28(3.52) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.29 C 0.15 I 0.1 D 0.06 L 0.05 N 0.02 HN Overlap>> 1.A44 1.A44 C Shift Assignments>> C :: 174.934 CA :: 57.771 CB :: 39.430 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 :: 8.028 HA :: 4.530 HB2 :: 2.932 HB3 :: 2.880 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.061 Ave N Shift Values>> N :: 120.45(4.18) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.27 C 0.16 I 0.08 D 0.07 L 0.05 N 0.03 E 0.01 HN Overlap>> 1.V90 1.V90 2.L14 2.L14 C Shift Assignments>> C :: 174.752 CA :: 57.330 CB :: 39.099 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 :: 8.036 HA :: 4.515 HB2 :: 2.923 HB3 :: 2.895 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 :: 122.689 Ave N Shift Values>> N :: 120.45(4.18) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V33 1.V28 1.V33 1.V28 C Shift Assignments>> C :: 171.878 CA :: 55.646 CB :: 63.276 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.031 HA :: 4.568 HB2 :: 3.735 HB3 :: 3.649 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.590 Ave N Shift Values>> N :: 116.28(3.52) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.487 CA :: 62.918 CB :: 31.871 CG :: 27.168 CD :: 50.307 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 :: 4.337 HB2 :: 2.226 HB3 :: 1.851 HG2 :: 1.972 HG3 :: 1.920 HD2 :: 3.741 HD3 :: 3.556 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) N Shift Assignments>> N :: 138.610 Ave N Shift Values>> N :: 134.16(6.62) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.H210 2.S4 2.H210 2.S4 C Shift Assignments>> C :: 172.714 CA :: 56.230 CB :: 63.574 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.357 HA :: 4.684 HB2 :: 3.824 HB3 :: 3.789 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.775 Ave N Shift Values>> N :: 116.28(3.52) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.585 CA :: 63.164 CB :: 31.416 CG :: 27.122 CD :: 50.401 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 :: 4.304 HB2 :: 2.222 HB3 :: 1.834 HG2 :: 1.958 HG3 :: 1.921 HD2 :: 3.743 HD3 :: 3.555 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) N Shift Assignments>> N :: 139.340 Ave N Shift Values>> N :: 134.16(6.62) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.14 C 0.01 C Shift Assignments>> C :: 177.676 CA :: 52.409 CB :: 18.654 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.256 HA :: 4.195 HB1 :: 1.296 HB2 :: 1.296 HB3 :: 1.296 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.960 Ave N Shift Values>> N :: 123.23(3.54) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.37 R 0.12 HN Overlap>> 1.Q75 1.Q75 2.L175 2.L175 C Shift Assignments>> C :: 176.080 CA :: 55.782 CB :: 32.889 CG :: 28.843 CD :: 41.920 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 :: 8.177 HA :: 4.217 HB2 :: 1.727 HB3 :: 1.702 HG2 :: 1.632 HG3 :: 1.586 HD2 :: 2.929 HD3 :: 2.902 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 :: 121.437 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.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.36 R 0.16 HN Overlap>> 2.E118 2.E118 C Shift Assignments>> C :: 176.157 CA :: 56.070 CB :: 32.113 CG :: 24.485 CD :: 28.727 CE :: 41.894 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 :: 8.271 HA :: 4.194 HB2 :: 1.962 HB3 :: 1.865 HG2 :: 1.385 HG3 :: 1.337 HD2 :: 1.646 HD3 :: 1.613 HE2 :: 2.940 HE3 :: 2.897 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 :: 124.172 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 C 0.35 K 0.06 G 0.05 HN Overlap>> 1.E25 2.K239 1.E25 2.K239 C Shift Assignments>> C :: 175.880 CA :: 55.506 CB :: 30.537 CG :: 27.074 CD :: 43.132 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 :: 8.344 HA :: 4.225 HB2 :: 1.740 HB3 :: 1.675 HG2 :: 1.574 HG3 :: 1.531 HD2 :: 3.134 HD3 :: 3.107 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.816 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.H20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.15 K 0.14 R 0.11 W 0.11 C 0.11 E 0.1 M 0.04 L 0.01 C Shift Assignments>> CA :: 54.999 CB :: 29.270 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 :: 8.540 HA :: 4.479 HB2 :: 3.131 HB3 :: 3.087 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.822 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.06 C Shift Assignments>> C :: 174.970 CA :: 50.212 CB :: 18.383 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.196 HA :: 4.510 HB1 :: 1.266 HB2 :: 1.266 HB3 :: 1.266 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.034 Ave N Shift Values>> N :: 123.23(3.54) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.560 CA :: 62.915 CB :: 31.793 CG :: 27.122 CD :: 50.476 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 :: 4.330 HB2 :: 2.218 HB3 :: 1.841 HG2 :: 1.962 HG3 :: 1.917 HD2 :: 3.740 HD3 :: 3.619 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) N Shift Assignments>> N :: 136.312 Ave N Shift Values>> N :: 134.16(6.62) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.587 CA :: 56.291 CB :: 63.422 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.315 HA :: 4.633 HB2 :: 3.782 HB3 :: 3.738 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.531 Ave N Shift Values>> N :: 116.28(3.52) 1.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.546 CA :: 63.002 CB :: 31.642 CG :: 27.047 CD :: 50.401 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 :: 4.322 HB2 :: 2.229 HB3 :: 1.823 HG2 :: 1.966 HG3 :: 1.913 HD2 :: 3.740 HD3 :: 3.623 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) N Shift Assignments>> N :: 138.571 Ave N Shift Values>> N :: 134.16(6.62) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.28 Q 0.16 K 0.15 M 0.05 HN Overlap>> 1.R19 1.R19 C Shift Assignments>> C :: 174.440 CA :: 54.270 CB :: 29.416 CG :: 35.683 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 :: 8.360 HA :: 4.458 HB2 :: 1.961 HB3 :: 1.800 HG2 :: 2.233 HG3 :: 2.211 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.782 Ave N Shift Values>> N :: 120.67(3.48) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.493 CA :: 62.865 CB :: 31.717 CG :: 27.122 CD :: 50.326 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 :: 4.311 HB2 :: 2.211 HB3 :: 1.823 HG2 :: 1.958 HG3 :: 1.917 HD2 :: 3.740 HD3 :: 3.619 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) N Shift Assignments>> N :: 138.427 Ave N Shift Values>> N :: 134.16(6.62) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 177.707 CA :: 52.313 CB :: 18.997 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.347 HA :: 4.263 HB1 :: 1.308 HB2 :: 1.308 HB3 :: 1.308 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.336 Ave N Shift Values>> N :: 123.23(3.54) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 HN Overlap>> 1.V33 1.V33 1.S12 1.S12 C Shift Assignments>> C :: 176.139 CA :: 62.120 CB :: 32.461 CG1 :: 20.895 CG2 :: 20.367 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 :: 8.062 HA :: 4.023 HB :: 1.986 HG11 :: 0.868 HG12 :: 0.868 HG13 :: 0.868 HG21 :: 0.853 HG22 :: 0.853 HG23 :: 0.853 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 :: 120.582 Ave N Shift Values>> N :: 121.14(4.54) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.23 M 0.06 E 0.04 R 0.04 C Shift Assignments>> C :: 176.302 CA :: 55.889 CB :: 29.202 CG :: 33.550 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 :: 8.449 HA :: 4.286 HB2 :: 2.016 HB3 :: 1.918 HG2 :: 2.315 HG3 :: 2.258 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.435 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 HN Overlap>> 2.G13 2.G13 C Shift Assignments>> C :: 174.245 CA :: 45.161 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.457 HA2 :: 3.977 HA3 :: 3.941 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.664 Ave N Shift Values>> N :: 109.67(3.87) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.242 CA :: 61.854 CB :: 69.851 CG2 :: 21.175 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 :: 8.123 HA :: 4.309 HB :: 4.172 HG21 :: 1.138 HG22 :: 1.138 HG23 :: 1.138 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.976 Ave N Shift Values>> N :: 115.42(4.75) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.955 CA :: 45.183 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.457 HA2 :: 3.930 HA3 :: 3.889 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.502 Ave N Shift Values>> N :: 109.67(3.87) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 HN Overlap>> 1.V28 1.S12 2.Q66 1.V28 1.S12 2.Q66 C Shift Assignments>> C :: 175.831 CA :: 62.006 CB :: 32.375 CG1 :: 20.660 CG2 :: 20.308 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 :: 7.964 HA :: 4.046 HB :: 1.984 HG11 :: 0.896 HG12 :: 0.896 HG13 :: 0.896 HG21 :: 0.859 HG22 :: 0.859 HG23 :: 0.859 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 :: 120.560 Ave N Shift Values>> N :: 121.14(4.54) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 177.943 CA :: 52.408 CB :: 19.068 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.407 HA :: 4.293 HB1 :: 1.331 HB2 :: 1.331 HB3 :: 1.331 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.055 Ave N Shift Values>> N :: 123.23(3.54) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.629 CA :: 44.913 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.278 HA2 :: 3.895 HA3 :: 3.841 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.531 Ave N Shift Values>> N :: 109.67(3.87) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 174.553 CA :: 59.659 CB :: 32.118 CG1 :: 21.050 CG2 :: 19.913 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 :: 7.954 HA :: 4.378 HB :: 2.042 HG11 :: 0.901 HG12 :: 0.901 HG13 :: 0.901 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 :: 121.693 Ave N Shift Values>> N :: 121.14(4.54) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.882 CA :: 63.253 CB :: 31.642 CG :: 27.197 CD :: 50.476 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 :: 4.335 HB2 :: 2.226 HB3 :: 1.838 HG2 :: 1.970 HG3 :: 1.921 HD2 :: 3.808 HD3 :: 3.627 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) N Shift Assignments>> N :: 140.806 Ave N Shift Values>> N :: 134.16(6.62) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 K 0.08 M 0.07 Q 0.06 I 0.03 C Shift Assignments>> C :: 176.601 CA :: 56.760 CB :: 29.989 CG :: 36.224 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 :: 8.541 HA :: 4.172 HB2 :: 1.949 HB3 :: 1.869 HG2 :: 2.237 HG3 :: 2.199 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 :: 122.453 Ave N Shift Values>> N :: 120.67(3.48) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.3 Q 0.1 K 0.09 M 0.09 I 0.02 HN Overlap>> 2.R17 2.R17 C Shift Assignments>> C :: 176.402 CA :: 56.362 CB :: 30.053 CG :: 35.915 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 :: 8.441 HA :: 4.275 HB2 :: 2.007 HB3 :: 1.892 HG2 :: 2.192 HG3 :: 2.179 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.196 Ave N Shift Values>> N :: 120.67(3.48) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.070 CA :: 58.425 CB :: 63.848 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.367 HA :: 4.389 HB2 :: 3.850 HB3 :: 3.805 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.130 Ave N Shift Values>> N :: 116.28(3.52) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.955 CA :: 45.271 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.419 HA2 :: 3.943 HA3 :: 3.861 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.116 Ave N Shift Values>> N :: 109.67(3.87) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.2 N 0.13 F 0.1 Y 0.08 K 0.07 C 0.06 HN Overlap>> 1.V92 1.V92 C Shift Assignments>> C :: 176.393 CA :: 54.310 CB :: 40.865 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 :: 8.205 HA :: 4.515 HB2 :: 2.625 HB3 :: 2.545 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 :: 121.817 Ave N Shift Values>> N :: 120.65(3.86) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.19 C 0.01 HN Overlap>> 1.L7 1.L7 C Shift Assignments>> C :: 177.616 CA :: 52.865 CB :: 18.483 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.253 HA :: 4.172 HB1 :: 1.331 HB2 :: 1.331 HB3 :: 1.331 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.928 Ave N Shift Values>> N :: 123.23(3.54) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 HN Overlap>> 1.F10 1.F10 C Shift Assignments>> C :: 177.390 CA :: 52.172 CB :: 18.815 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.089 HA :: 4.213 HB1 :: 1.306 HB2 :: 1.306 HB3 :: 1.306 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.045 Ave N Shift Values>> N :: 123.23(3.54) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 177.372 CA :: 52.162 CB :: 18.905 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.956 HA :: 4.229 HB1 :: 1.296 HB2 :: 1.296 HB3 :: 1.296 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.809 Ave N Shift Values>> N :: 123.23(3.54) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 C Shift Assignments>> C :: 174.581 CA :: 58.687 CB :: 38.121 CG1 :: 26.887 CG2 :: 16.852 CD1 :: 12.528 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 :: 7.993 HA :: 4.343 HB :: 1.789 HG12 :: 1.126 HG13 :: 1.071 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 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 :: 122.859 Ave N Shift Values>> N :: 121.46(4.28) 1.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.520 CA :: 63.138 CB :: 31.793 CG :: 27.122 CD :: 50.778 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 :: 4.307 HB2 :: 2.226 HB3 :: 1.834 HG2 :: 1.973 HG3 :: 1.928 HD2 :: 3.815 HD3 :: 3.627 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) N Shift Assignments>> N :: 141.311 Ave N Shift Values>> N :: 134.16(6.62) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C 0.01 HN Overlap>> 1.A53 1.A53 2.E23 2.E23 C Shift Assignments>> C :: 177.689 CA :: 52.262 CB :: 18.909 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.285 HA :: 4.195 HB1 :: 1.308 HB2 :: 1.308 HB3 :: 1.308 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.472 Ave N Shift Values>> N :: 123.23(3.54) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.37 R 0.13 HN Overlap>> 2.H20 2.E54 2.H20 2.E54 C Shift Assignments>> C :: 176.293 CA :: 55.954 CB :: 32.718 CG :: 24.474 CD :: 28.817 CE :: 41.961 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 :: 8.236 HA :: 4.229 HB2 :: 1.766 HB3 :: 1.686 HG2 :: 1.370 HG3 :: 1.330 HD2 :: 1.619 HD3 :: 1.593 HE2 :: 2.931 HE3 :: 2.906 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 :: 122.105 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.37 R 0.12 C Shift Assignments>> C :: 175.750 CA :: 55.763 CB :: 32.879 CG :: 24.474 CD :: 28.875 CE :: 41.963 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 :: 8.301 HA :: 4.229 HB2 :: 1.699 HB3 :: 1.647 HG2 :: 1.368 HG3 :: 1.324 HD2 :: 1.613 HD3 :: 1.587 HE2 :: 2.929 HE3 :: 2.903 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 :: 124.691 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 175.342 CA :: 50.375 CB :: 17.711 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.383 HA :: 4.492 HB1 :: 1.285 HB2 :: 1.285 HB3 :: 1.285 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.543 Ave N Shift Values>> N :: 123.23(3.54) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.426 CA :: 62.864 CB :: 31.642 CG :: 27.047 CD :: 50.476 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 :: 4.320 HB2 :: 2.226 HB3 :: 1.834 HG2 :: 1.973 HG3 :: 1.924 HD2 :: 3.751 HD3 :: 3.615 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) N Shift Assignments>> N :: 136.817 Ave N Shift Values>> N :: 134.16(6.62) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 HN Overlap>> 1.A48 1.A48 C Shift Assignments>> C :: 178.269 CA :: 52.487 CB :: 18.992 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 HA :: 4.286 HB1 :: 1.331 HB2 :: 1.331 HB3 :: 1.331 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.516 Ave N Shift Values>> N :: 123.23(3.54) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.028 CA :: 45.096 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.449 HA2 :: 3.917 HA3 :: 3.870 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.003 Ave N Shift Values>> N :: 109.67(3.87) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.28 C 0.22 M 0.06 E 0.04 R 0.04 C Shift Assignments>> C :: 175.596 CA :: 55.475 CB :: 29.202 CG :: 33.629 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 :: 8.160 HA :: 4.321 HB2 :: 2.078 HB3 :: 1.884 HG2 :: 2.273 HG3 :: 2.257 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 :: 120.835 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.32 K 0.08 M 0.08 Q 0.07 I 0.02 C Shift Assignments>> C :: 176.139 CA :: 56.413 CB :: 29.989 CG :: 36.147 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 :: 8.522 HA :: 4.224 HB2 :: 1.932 HB3 :: 1.866 HG2 :: 2.245 HG3 :: 2.214 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.395 Ave N Shift Values>> N :: 120.67(3.48) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 C 0.26 Q 0.2 K 0.16 M 0.06 C Shift Assignments>> C :: 174.653 CA :: 54.143 CB :: 29.453 CG :: 35.408 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 HA :: 4.538 HB2 :: 1.961 HB3 :: 1.812 HG2 :: 2.271 HG3 :: 2.207 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 :: 124.701 Ave N Shift Values>> N :: 120.67(3.48) 1.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 177.437 CA :: 63.392 CB :: 31.717 CG :: 26.896 CD :: 50.476 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 :: 4.384 HB2 :: 2.256 HB3 :: 1.898 HG2 :: 1.992 HG3 :: 1.958 HD2 :: 3.664 HD3 :: 3.600 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) N Shift Assignments>> N :: 138.619 Ave N Shift Values>> N :: 134.16(6.62) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.955 CA :: 44.910 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.477 HA2 :: 3.910 HA3 :: 3.850 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.321 Ave N Shift Values>> N :: 109.67(3.87) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 HN Overlap>> 2.T229 2.T229 C Shift Assignments>> C :: 172.388 CA :: 59.873 CB :: 69.872 CG2 :: 21.239 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 :: 7.993 HA :: 4.482 HB :: 3.991 HG21 :: 1.177 HG22 :: 1.177 HG23 :: 1.177 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.990 Ave N Shift Values>> N :: 115.42(4.75) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 C 0.49 C Shift Assignments>> C :: 174.688 CA :: 61.518 CB :: 30.617 CG :: 27.043 CD :: 50.746 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 :: 4.636 HB2 :: 2.301 HB3 :: 1.830 HG2 :: 1.992 HG3 :: 1.947 HD2 :: 3.849 HD3 :: 3.623 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) N Shift Assignments>> N :: 142.385 Ave N Shift Values>> N :: 134.16(6.62) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.877 CA :: 62.905 CB :: 31.868 CG :: 26.896 CD :: 50.326 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 :: 4.400 HB2 :: 2.214 HB3 :: 1.954 HG2 :: 1.857 HG3 :: 1.838 HD2 :: 3.743 HD3 :: 3.604 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) N Shift Assignments>> N :: 136.817 Ave N Shift Values>> N :: 134.16(6.62) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.191 CA :: 58.158 CB :: 63.422 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.376 HA :: 4.378 HB2 :: 3.823 HB3 :: 3.779 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 :: 117.076 Ave N Shift Values>> N :: 116.28(3.52) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.Q234 2.Q234 C Shift Assignments>> C :: 172.560 CA :: 56.224 CB :: 63.441 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.204 HA :: 4.721 HB2 :: 3.794 HB3 :: 3.748 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.568 Ave N Shift Values>> N :: 116.28(3.52) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.781 CA :: 63.184 CB :: 31.491 CG :: 27.122 CD :: 50.401 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 :: 4.329 HB2 :: 2.222 HB3 :: 1.841 HG2 :: 1.970 HG3 :: 1.924 HD2 :: 3.743 HD3 :: 3.551 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) N Shift Assignments>> N :: 138.741 Ave N Shift Values>> N :: 134.16(6.62) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.24 R 0.03 G 0.02 HN Overlap>> 2.W174 2.W174 C Shift Assignments>> C :: 177.236 CA :: 54.772 CB :: 42.580 CG :: 26.690 CD1 :: 25.020 CD2 :: 24.677 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 :: 8.190 HA :: 4.373 HB2 :: 1.578 HB3 :: 1.429 HG :: 1.536 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 HD21 :: 0.779 HD22 :: 0.779 HD23 :: 0.779 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 :: 123.235 Ave N Shift Values>> N :: 121.86(3.9) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.635 CA :: 57.306 CB :: 64.568 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.504 HA :: 4.378 HB2 :: 4.183 HB3 :: 3.931 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.691 Ave N Shift Values>> N :: 116.28(3.52) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.39 I 0.03 C 0.02 C Shift Assignments>> C :: 179.836 CA :: 54.969 CB :: 17.953 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.736 HA :: 4.057 HB1 :: 1.411 HB2 :: 1.411 HB3 :: 1.411 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.520 Ave N Shift Values>> N :: 123.23(3.54) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.15 K 0.08 Q 0.04 M 0.01 C Shift Assignments>> C :: 178.667 CA :: 58.971 CB :: 29.116 CG :: 36.210 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 :: 8.513 HA :: 4.080 HB2 :: 1.972 HB3 :: 1.995 HG2 :: 2.227 HG3 :: 2.219 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 :: 119.216 Ave N Shift Values>> N :: 120.67(3.48) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.12 K 0.11 Q 0.07 C Shift Assignments>> C :: 178.423 CA :: 58.163 CB :: 28.688 CG :: 36.053 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 :: 7.877 HA :: 4.034 HB2 :: 2.016 HB3 :: 1.962 HG2 :: 2.195 HG3 :: 2.184 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 :: 121.345 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.41 HN Overlap>> 2.H20 2.E54 2.H20 2.E54 C Shift Assignments>> C :: 178.994 CA :: 57.546 CB :: 41.380 CG :: 26.862 CD1 :: 23.299 CD2 :: 24.678 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 :: 8.359 HA :: 4.034 HB2 :: 1.720 HB3 :: 1.525 HG :: 1.550 HD11 :: 0.828 HD12 :: 0.828 HD13 :: 0.828 HD21 :: 0.810 HD22 :: 0.810 HD23 :: 0.810 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.088 Ave N Shift Values>> N :: 121.86(3.9) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.18 K 0.18 F 0.18 D 0.14 Y 0.14 C 0.07 R 0.02 I 0.02 N 0.01 C Shift Assignments>> C :: 177.616 CA :: 56.728 CB :: 41.263 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 :: 8.170 HA :: 4.354 HB2 :: 2.705 HB3 :: 2.650 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 :: 120.962 Ave N Shift Values>> N :: 120.65(3.86) 1.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.44 K 0.05 G 0.04 HN Overlap>> 1.R84 1.R84 2.Q66 2.E53 2.Q66 2.E53 C Shift Assignments>> C :: 178.332 CA :: 59.025 CB :: 29.803 CG :: 27.148 CD :: 43.110 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 :: 7.813 HA :: 3.916 HB2 :: 1.886 HB3 :: 1.837 HG2 :: 1.686 HG3 :: 1.590 HD2 :: 3.174 HD3 :: 3.155 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 :: 120.528 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.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 HN Overlap>> 2.C223 2.Q66 2.I22 2.F126 2.C223 2.Q66 2.I22 2.F126 C Shift Assignments>> C :: 178.544 CA :: 64.426 CB :: 38.100 CG1 :: 28.881 CG2 :: 16.856 CD1 :: 13.345 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 :: 7.877 HA :: 3.756 HB :: 1.900 HG12 :: 1.659 HG13 :: 1.126 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 HD11 :: 0.812 HD12 :: 0.812 HD13 :: 0.812 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 :: 120.673 Ave N Shift Values>> N :: 121.46(4.28) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.24 K 0.22 R 0.13 E 0.02 M 0.01 I 0.01 HN Overlap>> 1.R17 2.L175 2.M21 1.R17 2.L175 2.M21 C Shift Assignments>> C :: 178.613 CA :: 58.343 CB :: 27.830 CG :: 33.468 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 :: 8.119 HA :: 4.034 HB2 :: 2.165 HB3 :: 2.127 HG2 :: 2.463 HG3 :: 2.407 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 :: 121.365 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.44 K 0.06 G 0.04 C Shift Assignments>> C :: 178.721 CA :: 58.769 CB :: 29.803 CG :: 27.613 CD :: 43.114 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 :: 8.420 HA :: 4.069 HB2 :: 1.846 HB3 :: 1.823 HG2 :: 1.577 HG3 :: 1.558 HD2 :: 3.162 HD3 :: 3.064 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 :: 121.685 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.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.18 Y 0.15 F 0.11 E 0.09 D 0.06 M 0.04 L 0.02 I 0.01 HN Overlap>> 1.N89 1.N89 C Shift Assignments>> C :: 177.435 CA :: 54.986 CB :: 37.692 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.279 HA :: 4.515 HB2 :: 2.884 HB3 :: 2.845 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 :: 120.534 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.44 R 0.1 C Shift Assignments>> C :: 178.124 CA :: 58.790 CB :: 32.204 CG :: 24.851 CD :: 28.989 CE :: 41.920 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 :: 8.155 HA :: 4.080 HB2 :: 1.868 HB3 :: 1.846 HG2 :: 1.376 HG3 :: 1.326 HD2 :: 1.586 HD3 :: 1.564 HE2 :: 2.925 HE3 :: 2.870 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 :: 123.436 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.47 I 0.01 C 0.01 C Shift Assignments>> C :: 179.737 CA :: 54.335 CB :: 17.711 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.046 HA :: 4.093 HB1 :: 1.438 HB2 :: 1.438 HB3 :: 1.438 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.307 Ave N Shift Values>> N :: 123.23(3.54) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.45 C 0.01 I 0.01 HN Overlap>> 2.K235 2.K235 C Shift Assignments>> C :: 179.597 CA :: 54.196 CB :: 17.823 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.986 HA :: 4.092 HB1 :: 1.448 HB2 :: 1.448 HB3 :: 1.448 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.064 Ave N Shift Values>> N :: 123.23(3.54) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.46 C 0.01 I 0.01 C Shift Assignments>> C :: 179.655 CA :: 54.237 CB :: 17.797 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.888 HA :: 4.077 HB1 :: 1.438 HB2 :: 1.438 HB3 :: 1.438 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.467 Ave N Shift Values>> N :: 123.23(3.54) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.37 C Shift Assignments>> C :: 179.030 CA :: 56.760 CB :: 41.637 CG :: 26.764 CD1 :: 23.315 CD2 :: 24.291 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 :: 7.800 HA :: 4.114 HB2 :: 1.732 HB3 :: 1.523 HG :: 1.638 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.085 Ave N Shift Values>> N :: 121.86(3.9) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.35 A 0.01 HN Overlap>> 2.W137 2.W137 C Shift Assignments>> C :: 178.568 CA :: 56.607 CB :: 41.637 CG :: 26.706 CD1 :: 24.586 CD2 :: 23.160 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 :: 7.714 HA :: 4.137 HB2 :: 1.743 HB3 :: 1.560 HG :: 1.644 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 HD21 :: 0.819 HD22 :: 0.819 HD23 :: 0.819 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 :: 121.693 Ave N Shift Values>> N :: 121.86(3.9) 1.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.41 K 0.07 G 0.04 L 0.01 HN Overlap>> 1.R73 2.E53 1.R73 2.E53 C Shift Assignments>> C :: 177.444 CA :: 57.480 CB :: 29.830 CG :: 27.126 CD :: 43.084 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 :: 7.789 HA :: 3.911 HB2 :: 1.871 HB3 :: 1.844 HG2 :: 1.690 HG3 :: 1.594 HD2 :: 3.180 HD3 :: 3.153 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 :: 120.544 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.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.31 A 0.01 R 0.01 C Shift Assignments>> C :: 177.779 CA :: 55.944 CB :: 41.980 CG :: 26.706 CD1 :: 24.628 CD2 :: 23.231 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 :: 7.825 HA :: 4.137 HB2 :: 1.677 HB3 :: 1.611 HG :: 1.562 HD11 :: 0.814 HD12 :: 0.814 HD13 :: 0.814 HD21 :: 0.761 HD22 :: 0.761 HD23 :: 0.761 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.022 Ave N Shift Values>> N :: 121.86(3.9) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.21 C 0.01 C Shift Assignments>> C :: 177.852 CA :: 52.932 CB :: 18.311 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.908 HA :: 4.172 HB1 :: 1.388 HB2 :: 1.388 HB3 :: 1.388 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.054 Ave N Shift Values>> N :: 123.23(3.54) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.18 C 0.01 C Shift Assignments>> C :: 177.725 CA :: 52.606 CB :: 18.397 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.894 HA :: 4.186 HB1 :: 1.381 HB2 :: 1.381 HB3 :: 1.381 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.028 Ave N Shift Values>> N :: 123.23(3.54) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.37 K 0.06 G 0.05 C Shift Assignments>> C :: 175.949 CA :: 56.090 CB :: 30.354 CG :: 26.743 CD :: 43.166 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 :: 8.003 HA :: 4.217 HB2 :: 1.820 HB3 :: 1.772 HG2 :: 1.580 HG3 :: 1.554 HD2 :: 3.137 HD3 :: 3.117 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 :: 120.024 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.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.13 C 0.1 Y 0.07 F 0.06 L 0.03 M 0.01 E 0.01 HN Overlap>> 1.N77 1.N77 C Shift Assignments>> C :: 174.499 CA :: 53.141 CB :: 38.378 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.309 HA :: 4.653 HB2 :: 2.808 HB3 :: 2.717 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 :: 120.503 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 HN Overlap>> 1.F11 2.L14 1.F11 2.L14 C Shift Assignments>> C :: 174.182 CA :: 59.824 CB :: 32.457 CG1 :: 20.869 CG2 :: 19.965 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 :: 7.928 HA :: 4.052 HB :: 2.034 HG11 :: 0.899 HG12 :: 0.899 HG13 :: 0.899 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.688 Ave N Shift Values>> N :: 121.14(4.54) 1.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.701 CA :: 62.990 CB :: 31.868 CG :: 27.047 CD :: 50.401 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 :: 4.335 HB2 :: 2.214 HB3 :: 1.838 HG2 :: 1.947 HG3 :: 1.924 HD2 :: 3.743 HD3 :: 3.551 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) N Shift Assignments>> N :: 140.422 Ave N Shift Values>> N :: 134.16(6.62) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 HN Overlap>> 1.D42 1.D42 C Shift Assignments>> C :: 175.904 CA :: 62.199 CB :: 32.600 CG1 :: 20.861 CG2 :: 20.174 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 :: 8.161 HA :: 4.017 HB :: 1.999 HG11 :: 0.897 HG12 :: 0.897 HG13 :: 0.897 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 :: 121.830 Ave N Shift Values>> N :: 121.14(4.54) 1.A93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A95 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S97 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E98 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L101 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I102 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S103 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E105 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.L107 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G111 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H119 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.532 CA :: 45.058 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.289 HA2 :: 3.905 HA3 :: 3.871 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.537 Ave N Shift Values>> N :: 109.67(3.87) 2.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.T208 2.T208 C Shift Assignments>> C :: 174.558 CA :: 58.034 CB :: 63.556 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.348 HA :: 4.393 HB2 :: 3.813 HB3 :: 3.74 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 :: 116.647 Ave N Shift Values>> N :: 116.28(3.52) 2.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S14 2.H210 1.S14 2.H210 C Shift Assignments>> CA :: 58.186 CB :: 63.261 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.362 HA :: 4.342 HB2 :: 3.748 HB3 :: 3.675 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.772 Ave N Shift Values>> N :: 116.28(3.52) 2.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.453 CA :: 58.212 CB :: 63.316 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.457 HA :: 4.371 HB2 :: 3.82 HB3 :: 3.74 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.019 Ave N Shift Values>> N :: 116.28(3.52) 2.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.I123 2.I123 C Shift Assignments>> C :: 174.621 CA :: 58.465 CB :: 63.496 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.48 HA :: 4.378 HB2 :: 3.849 HB3 :: 3.777 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.391 Ave N Shift Values>> N :: 116.28(3.52) 2.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 HN Overlap>> 1.G30 1.G30 C Shift Assignments>> C :: 173.632 CA :: 45.018 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.37 HA2 :: 3.901 HA3 :: 3.825 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.702 Ave N Shift Values>> N :: 109.67(3.87) 2.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.23 K 0.18 F 0.08 R 0.07 Y 0.06 C 0.04 N 0.03 HN Overlap>> 1.V90 1.F11 1.V90 1.F11 C Shift Assignments>> C :: 176.93 CA :: 54.863 CB :: 41.881 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 :: 8.02 HA :: 4.241 HB2 :: 1.508 HB3 :: 1.443 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.683 Ave N Shift Values>> N :: 121.86(3.9) 2.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 V 0.14 K 0.12 W 0.11 R 0.09 M 0.08 H 0.07 E 0.06 Q 0.03 P 0.01 C Shift Assignments>> CA :: 59.506 CB :: 32.154 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 :: 8.052 HA :: 4.291 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 :: 123.71 Ave N Shift Values>> N :: 121.14(4.54) 2.P16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.15 E 0.13 W 0.13 Q 0.12 C 0.12 M 0.08 K 0.06 HN Overlap>> 1.E39 1.E39 C Shift Assignments>> C :: 176.816 CA :: 56.182 CB :: 30.413 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 :: 8.45 HA :: 4.226 HB2 :: 1.725 HB3 :: 1.667 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.268 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.253 CA :: 45.145 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.54 HA2 :: 3.885 HA3 :: 3.813 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.408 Ave N Shift Values>> N :: 109.67(3.87) 2.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.253 CA :: 58.643 CB :: 63.21 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.147 HA :: 4.284 HB2 :: 3.748 HB3 :: 3.69 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 :: 116.671 Ave N Shift Values>> N :: 116.28(3.52) 2.H20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.1 M 0.1 Q 0.1 R 0.09 K 0.08 L 0.08 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 HN Overlap>> 1.K49 1.L71 1.K49 1.L71 2.E54 2.E54 C Shift Assignments>> C :: 175.154 CA :: 56.334 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 :: 8.292 HA :: 4.484 HB2 :: 3.02 HB3 :: 2.962 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.065 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.17 C 0.15 R 0.11 H 0.1 Q 0.1 W 0.07 E 0.05 V 0.01 HN Overlap>> 1.Q75 2.L232 1.Q75 2.L232 C Shift Assignments>> C :: 175.75 CA :: 55.903 CB :: 32.515 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 :: 8.036 HB2 :: 1.94 HB3 :: 1.889 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.363 Ave N Shift Values>> N :: 120.09(3.57) 2.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.17 T 0.13 V 0.12 C 0.11 S 0.08 F 0.07 Y 0.07 W 0.06 E 0.02 R 0.02 K 0.02 P 0.01 H 0.01 Q 0.01 M 0.01 HN Overlap>> 1.I74 2.C223 2.Q66 1.I74 2.C223 2.Q66 C Shift Assignments>> C :: 175.598 CA :: 60.658 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 :: 7.863 HA :: 3.97 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 :: 120.631 Ave N Shift Values>> N :: 121.46(4.28) 2.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 E 0.13 Q 0.13 W 0.13 C 0.12 K 0.08 M 0.06 HN Overlap>> 1.A48 1.A48 C Shift Assignments>> C :: 176.842 CA :: 56.36 CB :: 30.053 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 :: 8.188 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 :: 125.487 Ave N Shift Values>> N :: 120.67(3.48) 2.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 175.053 CA :: 45.805 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6 HA2 :: 3.926 HA3 :: 3.825 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.304 Ave N Shift Values>> N :: 109.67(3.87) 2.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 H 0.14 E 0.13 K 0.13 W 0.13 R 0.12 C 0.11 M 0.04 I 0.01 C Shift Assignments>> C :: 176.296 CA :: 56.385 CB :: 29.484 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 :: 8.26 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.98 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.C26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.1 H 0.1 Q 0.1 R 0.09 L 0.08 K 0.08 E 0.06 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 172.807 CA :: 56.233(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.154(D) HA :: 4.349(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.282(D) Ave N Shift Values>> N :: 120.17(4.64) 2.F27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.09 L 0.09 Q 0.09 R 0.08 K 0.08 E 0.06 W 0.06 D 0.05 C 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 175.035 CA :: 56.055(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 :: 7.662(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.112(D) Ave N Shift Values>> N :: 120.45(4.18) 2.G28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 175.141(D) CA :: 46.617(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.14(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.029(D) Ave N Shift Values>> N :: 109.67(3.87) 2.E29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.15 C 0.12 T 0.11 V 0.1 S 0.09 F 0.08 Y 0.08 W 0.06 E 0.03 K 0.02 R 0.02 H 0.02 Q 0.01 M 0.01 P 0.01 C Shift Assignments>> C :: 178.618 CA :: 60.368(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.093(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.336(D) Ave N Shift Values>> N :: 120.67(3.48) 2.S30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.24 T 0.19 V 0.18 C 0.08 P 0.05 F 0.04 S 0.04 Y 0.04 W 0.03 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 175.712 CA :: 61.459(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.052(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.457(D) Ave N Shift Values>> N :: 116.28(3.52) 2.W31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.14 I 0.13 K 0.12 E 0.1 Q 0.1 H 0.08 R 0.07 L 0.01 M 0.01 C Shift Assignments>> C :: 177.806(D) CA :: 59.176(D) CB :: 28.492(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.084(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.571(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.K32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.12 C 0.12 S 0.1 Y 0.09 F 0.09 T 0.09 V 0.09 W 0.07 E 0.03 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.384 CA :: 60.14(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.709(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.853(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.13 R 0.12 K 0.11 E 0.1 H 0.1 M 0.09 V 0.06 Q 0.04 C Shift Assignments>> C :: 177.895(D) CA :: 58.694(D) CB :: 31.637(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.796(D) HA :: 3.803(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.96(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.H34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 W 0.14 E 0.14 C 0.14 H 0.13 Q 0.1 M 0.07 K 0.07 V 0.01 I 0.01 C Shift Assignments>> C :: 176.083(D) CA :: 57.451(D) CB :: 30.653(D) 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 :: 6.699(D) HA :: 4.473(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 114.888(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.L35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 N 0.15 A 0.12 L 0.1 M 0.07 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> C :: 176.258(D) CA :: 54.152(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 :: 7.757(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.789(D) Ave N Shift Values>> N :: 121.86(3.9) 2.S36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.321 CA :: 60.292(D) CB :: 62.235(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.456(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.808(D) Ave N Shift Values>> N :: 116.28(3.52) 2.G37 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 :: 176.414 CA :: 46.16(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.609(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.162(D) Ave N Shift Values>> N :: 109.67(3.87) 2.E38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 W 0.1 K 0.08 F 0.08 C 0.08 Y 0.08 R 0.08 H 0.07 Q 0.07 M 0.06 S 0.05 L 0.04 D 0.01 I 0.01 C Shift Assignments>> C :: 177.476(D) CA :: 57.425(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.85(D) HA :: 3.962(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.818(D) Ave N Shift Values>> N :: 120.67(3.48) 2.F39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.11 M 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.02 A 0.02 S 0.01 C Shift Assignments>> C :: 176.03(D) CA :: 55.776(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.584(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 :: 113.003(D) Ave N Shift Values>> N :: 120.45(4.18) 2.G40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.33 L 0.3 G 0.16 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.921 CA :: 43.775(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.253(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.168(D) Ave N Shift Values>> N :: 109.67(3.87) 2.K41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 D 0.11 M 0.1 H 0.08 Q 0.07 R 0.07 K 0.06 N 0.05 C 0.05 W 0.05 E 0.04 A 0.04 F 0.04 Y 0.03 S 0.01 C Shift Assignments>> C :: 175.611(D) CA :: 55.243(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.444(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.395(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.P42 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Y43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.36 E 0.14 I 0.13 V 0.11 Y 0.06 K 0.04 M 0.04 F 0.03 Q 0.03 C Shift Assignments>> C :: 176.385(D) CA :: 60.368(D) CB :: 35.464(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.708(D) HA :: 4.26(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.407(D) Ave N Shift Values>> N :: 120.52(4.2) 2.F44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.17 T 0.12 V 0.12 C 0.11 S 0.08 F 0.07 Y 0.07 W 0.06 E 0.02 R 0.02 K 0.02 H 0.01 P 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 176.93(D) CA :: 60.597(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.583(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 129.902(D) Ave N Shift Values>> N :: 120.45(4.18) 2.I45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.26 V 0.22 P 0.17 T 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 179.772(D) CA :: 64.783(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.525(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.039(D) Ave N Shift Values>> N :: 121.46(4.28) 2.K46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.12 K 0.12 V 0.11 R 0.1 M 0.08 H 0.08 E 0.08 Q 0.03 HN Overlap>> 2.Q103 2.Q103 C Shift Assignments>> C :: 179.125(D) CA :: 59.227(D) CB :: 31.931(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.963(D) HA :: 3.912(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.576(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 F 0.1 Y 0.09 C 0.09 E 0.09 K 0.07 R 0.07 S 0.07 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 C Shift Assignments>> C :: 177.451(D) CA :: 57.78(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 :: 7.696(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.892(D) Ave N Shift Values>> N :: 121.86(3.9) 2.M48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 K 0.09 W 0.09 R 0.08 C 0.08 F 0.08 H 0.07 Q 0.07 Y 0.07 M 0.06 S 0.05 L 0.04 D 0.02 I 0.01 HN Overlap>> 1.T6 1.T6 C Shift Assignments>> C :: 180.09(D) CA :: 57.273(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.207(D) HA :: 4.281(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.435(D) Ave N Shift Values>> N :: 120.09(3.57) 2.G49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 175.497(D) CA :: 46.845(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.887(D) HA2 :: 3.861(D) HA3 :: 3.803(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.018(D) Ave N Shift Values>> N :: 109.67(3.87) 2.F50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.17 T 0.12 V 0.12 C 0.11 S 0.08 F 0.07 Y 0.07 W 0.06 E 0.02 R 0.02 K 0.02 H 0.01 P 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 176.423(D) CA :: 60.597(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.115(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 :: 126.109(D) Ave N Shift Values>> N :: 120.45(4.18) 2.V51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.38 V 0.34 I 0.12 S 0.07 P 0.03 C 0.02 C Shift Assignments>> C :: 177.235(D) CA :: 67.168(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.592(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.765(D) Ave N Shift Values>> N :: 121.14(4.54) 2.A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.6 A 0.33 I 0.03 C 0.02 C Shift Assignments>> C :: 180.597(D) CA :: 55.142(D) CB :: 17.684(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.843(D) HA :: 3.955(D) HB1 :: 1.406(D) HB2 :: 1.406(D) HB3 :: 1.406(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.951(D) Ave N Shift Values>> N :: 123.23(3.54) 2.E53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.15 K 0.13 E 0.12 Q 0.11 I 0.09 H 0.09 R 0.07 M 0.01 L 0.01 HN Overlap>> 1.R84 1.R73 1.R84 1.R73 C Shift Assignments>> C :: 179.544(D) CA :: 58.871(D) CB :: 28.792(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.79(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.533(D) Ave N Shift Values>> N :: 120.67(3.48) 2.E54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.14 C 0.12 T 0.1 S 0.1 V 0.1 F 0.08 Y 0.08 W 0.07 E 0.03 K 0.02 R 0.02 H 0.02 Q 0.01 M 0.01 P 0.01 HN Overlap>> 1.K49 1.L71 2.H20 1.K49 1.L71 2.H20 C Shift Assignments>> C :: 178.669(D) CA :: 60.292(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.328(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.056(D) Ave N Shift Values>> N :: 120.67(3.48) 2.R55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.1 W 0.09 E 0.06 K 0.05 I 0.05 R 0.05 H 0.04 Q 0.03 V 0.03 T 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 177.527(D) CA :: 59.049(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.209(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.313(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) 2.K56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 K 0.15 M 0.13 R 0.12 W 0.11 H 0.1 E 0.08 Q 0.04 V 0.04 C Shift Assignments>> C :: 177.146(D) CA :: 57.806(D) CB :: 32.034(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.411(D) HA :: 3.944(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.686(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.H57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.16 R 0.14 H 0.14 C 0.13 K 0.12 W 0.1 E 0.09 Q 0.07 C Shift Assignments>> C :: 172.959(D) CA :: 55.776(D) CB :: 31.517(D) 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 :: 7.128(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.091(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.Y58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.22 D 0.2 K 0.19 F 0.13 Y 0.1 C 0.06 R 0.03 N 0.03 HN Overlap>> 2.Q207 2.Q207 C Shift Assignments>> C :: 174.672(D) CA :: 55.852(D) CB :: 41.461(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.597(D) HA :: 4.738(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.992(D) Ave N Shift Values>> N :: 120.52(4.2) 2.T59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.24 S 0.2 V 0.19 T 0.16 I 0.12 C 0.03 C Shift Assignments>> C :: 172.223(D) CA :: 63.438(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.781(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.299(D) Ave N Shift Values>> N :: 115.42(4.75) 2.V60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 W 0.08 I 0.08 V 0.05 T 0.05 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 173.53(D) CA :: 59.557(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.174(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 130.076(D) Ave N Shift Values>> N :: 121.14(4.54) 2.Y61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.24 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.02 Q 0.02 W 0.01 K 0.01 F 0.01 Y 0.01 C Shift Assignments>> C :: 173.911(D) CA :: 52.604(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.033(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 127.815(D) Ave N Shift Values>> N :: 120.52(4.2) 2.P62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P64 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 E 0.09 F 0.09 C 0.09 Y 0.08 K 0.08 R 0.08 H 0.07 Q 0.07 S 0.06 M 0.05 L 0.03 D 0.01 I 0.01 C Shift Assignments>> C :: 175.433(D) CA :: 57.552(D) 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 :: 8.278(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 112.886(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.Q66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.18 D 0.15 A 0.14 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 HN Overlap>> 1.V33 1.I74 1.R73 1.V33 1.I74 1.R73 2.I22 2.I22 C Shift Assignments>> C :: 174.583(D) CA :: 53.949(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.897(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.591(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.V67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.28 S 0.21 T 0.19 I 0.13 P 0.12 C 0.02 C Shift Assignments>> C :: 176.918(D) CA :: 65.722(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.836(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.301(D) Ave N Shift Values>> N :: 121.14(4.54) 2.F68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.15 L 0.11 M 0.09 H 0.07 N 0.07 Q 0.07 R 0.06 A 0.06 K 0.05 C 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 178.481 CA :: 54.888(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.372(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 :: 113.297(D) Ave N Shift Values>> N :: 120.45(4.18) 2.T69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.448 CA :: 66.026(D) CB :: 68.539(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 :: 7.341(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.332(D) Ave N Shift Values>> N :: 115.42(4.75) 2.W70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.11 M 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.02 A 0.02 S 0.01 C Shift Assignments>> C :: 175.814(D) CA :: 55.776(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 6.942(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 116.786(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.T71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.21 T 0.16 V 0.15 C 0.1 S 0.06 F 0.06 Y 0.06 W 0.04 P 0.03 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 174.404(D) CA :: 61.053(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 :: 6.778(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.61(D) Ave N Shift Values>> N :: 115.42(4.75) 2.Q72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 L 0.1 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.06 E 0.06 W 0.06 C 0.05 F 0.04 Y 0.04 N 0.02 S 0.02 A 0.01 C Shift Assignments>> C :: 176.943(D) CA :: 55.954(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.461(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.108(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.M73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.18 Q 0.18 C 0.16 R 0.07 H 0.07 W 0.04 E 0.02 V 0.01 C Shift Assignments>> C :: 174.989(D) CA :: 55.345(D) CB :: 33.192(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.062(D) HA :: 4.523(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 115.774(D) Ave N Shift Values>> N :: 120.09(3.57) 2.C74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 Q 0.14 R 0.14 W 0.12 E 0.12 C 0.11 K 0.09 M 0.06 C Shift Assignments>> C :: 171.931(D) CA :: 55.675(D) CB :: 29.962(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.526(D) HA :: 4.777(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 112.096(D) Ave N Shift Values>> N :: 120.17(4.64) 2.D75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 D 0.23 R 0.16 K 0.11 F 0.05 C 0.04 Y 0.03 N 0.03 G 0.01 C Shift Assignments>> C :: 177.489(D) CA :: 53.797(D) CB :: 42.601(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.174(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.69(D) Ave N Shift Values>> N :: 120.65(3.86) 2.I76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.26 V 0.23 T 0.17 P 0.17 I 0.12 C 0.02 C Shift Assignments>> C :: 176.106(D) CA :: 64.931(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.514(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 :: 132.213(D) Ave N Shift Values>> N :: 121.46(4.28) 2.K77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 C 0.14 H 0.13 W 0.13 E 0.12 M 0.09 K 0.09 Q 0.08 V 0.01 C Shift Assignments>> C :: 176.842(D) CA :: 57.298(D) CB :: 31.039(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.854(D) HA :: 4.078(D) HB2 :: 1.773(D) HB3 :: 1.715(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.947(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.D78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.18 D 0.15 A 0.15 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 C Shift Assignments>> C :: 175.789(D) CA :: 53.924(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.839(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.666(D) Ave N Shift Values>> N :: 120.65(3.86) 2.V79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.26 V 0.21 P 0.18 T 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 175.522(D) CA :: 64.732(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.791(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.61(D) Ave N Shift Values>> N :: 121.14(4.54) 2.K80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.1 R 0.1 Q 0.09 H 0.09 E 0.08 W 0.08 M 0.07 C 0.07 F 0.06 Y 0.06 L 0.05 S 0.03 D 0.02 C Shift Assignments>> C :: 174.279(D) CA :: 56.867(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.596(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.986(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.V81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 E 0.26 Y 0.13 I 0.11 F 0.07 M 0.05 K 0.03 V 0.01 Q 0.01 C Shift Assignments>> C :: 173.061(D) CA :: 58.77(D) CB :: 36.421(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.7(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.392(D) Ave N Shift Values>> N :: 121.14(4.54) 2.V82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.16 C 0.12 T 0.11 V 0.11 S 0.09 F 0.08 Y 0.08 W 0.06 E 0.03 K 0.02 R 0.02 H 0.02 Q 0.01 P 0.01 M 0.01 C Shift Assignments>> C :: 173.137(D) CA :: 60.47(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.143(D) HA :: 4.545(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.065(D) Ave N Shift Values>> N :: 121.14(4.54) 2.I83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.2 T 0.15 V 0.14 C 0.1 S 0.07 F 0.06 Y 0.06 W 0.05 P 0.02 E 0.02 R 0.01 K 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 174.355(D) CA :: 60.927(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.071(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 128.469(D) Ave N Shift Values>> N :: 121.46(4.28) 2.L84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> A 0.29 N 0.24 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.03 Q 0.02 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 176.873 CA :: 52.884(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 :: 5.943(S) 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 :: 123.28(D) Ave N Shift Values>> N :: 121.86(3.9) 2.G85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.35 L 0.3 D 0.08 K 0.07 F 0.06 Y 0.03 C 0.03 G 0.03 I 0.01 C Shift Assignments>> C :: 171.969 CA :: 42.988(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.527(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.883(D) Ave N Shift Values>> N :: 109.67(3.87) 2.Q86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 C 0.12 W 0.12 H 0.12 E 0.11 R 0.1 L 0.04 I 0.03 M 0.02 C Shift Assignments>> C :: 171.449(D) CA :: 56.766(D) CB :: 28.467(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(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.542(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.D87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.27 L 0.25 D 0.2 R 0.13 C 0.05 N 0.03 K 0.02 F 0.02 Y 0.01 C Shift Assignments>> C :: 173.035(D) CA :: 51.184(D) CB :: 43.202(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.621(D) HA :: 5.166(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.181(D) Ave N Shift Values>> N :: 120.65(3.86) 2.P88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Y89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.29 I 0.16 C 0.15 L 0.03 D 0.02 C Shift Assignments>> C :: 177.324(D) CA :: 58.922(D) CB :: 39.651(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.98(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.068(D) Ave N Shift Values>> N :: 120.52(4.2) 2.H90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.15 L 0.11 M 0.09 N 0.07 H 0.07 Q 0.07 R 0.06 A 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 174.875(D) CA :: 54.863(D) 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 :: 8.02(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.653(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.G91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.39 L 0.28 D 0.07 K 0.06 F 0.05 G 0.03 Y 0.03 C 0.03 I 0.01 C Shift Assignments>> C :: 171.703(D) CA :: 43.09(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.368(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.409(D) Ave N Shift Values>> N :: 109.67(3.87) 2.P92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.3 C 0.19 Y 0.12 E 0.12 F 0.09 M 0.05 D 0.04 L 0.01 I 0.01 K 0.01 C Shift Assignments>> C :: 173.149(D) CA :: 54.685(D) CB :: 37.403(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.559(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 :: 115.469(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.Q94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.11 C 0.11 F 0.11 W 0.09 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 175.23(D) CA :: 58.186(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 :: 6.558(D) HA :: 4.035(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 :: 115.991(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.A95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.09 C 0.01 C Shift Assignments>> C :: 179.506(D) CA :: 52.016(D) CB :: 19.018(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.187(D) HB1 :: 1.592(D) HB2 :: 1.592(D) HB3 :: 1.592(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.108(D) Ave N Shift Values>> N :: 123.23(3.54) 2.H96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.12 L 0.12 M 0.1 H 0.08 Q 0.07 R 0.07 K 0.06 N 0.06 C 0.05 W 0.04 A 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 174.015 CA :: 55.116(D) 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 :: 9.164(D) HA :: 4.789(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.758(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.G97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 173.351 CA :: 46.439(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.399(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.216(D) Ave N Shift Values>> N :: 109.67(3.87) 2.L98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> A 0.33 N 0.23 P 0.11 D 0.09 L 0.04 M 0.03 C 0.03 H 0.02 R 0.02 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> C :: 175.903(D) CA :: 51.712(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.085(S) 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 :: 116.591(D) Ave N Shift Values>> N :: 121.86(3.9) 2.C99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.11 Y 0.11 C 0.11 W 0.1 S 0.08 E 0.08 K 0.07 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> 2.A209 2.A209 C Shift Assignments>> C :: 173.162(D) CA :: 58.085(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.736(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 125.461(D) Ave N Shift Values>> N :: 120.17(4.64) 2.F100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.28 P 0.21 V 0.18 T 0.15 I 0.11 C 0.02 HN Overlap>> 2.R200 2.R200 C Shift Assignments>> C :: 176.044 CA :: 63.794(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 :: 7.853(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 :: 113.228(D) Ave N Shift Values>> N :: 120.45(4.18) 2.S101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.11 Y 0.1 C 0.1 W 0.1 E 0.08 S 0.08 K 0.07 R 0.06 H 0.06 Q 0.05 M 0.04 L 0.03 I 0.02 V 0.01 D 0.01 T 0.01 C Shift Assignments>> C :: 174.474 CA :: 57.983(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.557(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.264(D) Ave N Shift Values>> N :: 116.28(3.52) 2.V102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.13 Y 0.1 F 0.1 W 0.08 I 0.06 E 0.05 K 0.04 R 0.04 V 0.04 T 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 174.672(D) CA :: 59.277(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.94(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.707(D) Ave N Shift Values>> N :: 121.14(4.54) 2.Q103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 H 0.15 K 0.12 R 0.12 W 0.12 E 0.11 C 0.11 M 0.05 HN Overlap>> 2.K46 2.K46 C Shift Assignments>> C :: 176.334(D) CA :: 55.446(D) CB :: 29.512(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.933(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 :: 121.564(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.R104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.15 K 0.13 R 0.12 W 0.12 E 0.11 C 0.11 M 0.04 L 0.01 C Shift Assignments>> C :: 175.56(D) CA :: 55.37(D) CB :: 29.392(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.025(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.294(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) 2.P105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.V106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.32 C 0.22 P 0.21 W 0.07 K 0.03 R 0.03 E 0.02 H 0.02 I 0.01 M 0.01 C Shift Assignments>> C :: 174.012(D) CA :: 61.688(D) CB :: 31.854(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.837(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 131.241(D) Ave N Shift Values>> N :: 121.14(4.54) 2.P107 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.24 V 0.22 I 0.21 P 0.1 C 0.06 F 0.02 Y 0.02 S 0.02 W 0.02 C Shift Assignments>> C :: 174.837 CA :: 62.119(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.654(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.22(D) Ave N Shift Values>> N :: 116.28(3.52) 2.L112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.1 L 0.09 Q 0.09 R 0.09 K 0.08 E 0.06 W 0.06 C 0.05 D 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 177.230 CA :: 56.08(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.954(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.244(D) Ave N Shift Values>> N :: 121.86(3.9) 2.E113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.14 K 0.13 I 0.12 Q 0.11 E 0.1 H 0.08 R 0.07 L 0.01 M 0.01 C Shift Assignments>> C :: 180.14(D) CA :: 58.948(D) CB :: 28.492(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.128(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.122(D) Ave N Shift Values>> N :: 120.67(3.48) 2.N114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.25 C 0.23 N 0.12 Y 0.11 M 0.1 F 0.07 K 0.03 I 0.01 D 0.01 Q 0.01 C Shift Assignments>> C :: 177.349(D) CA :: 55.472(D) CB :: 36.704(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.691(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 :: 119.947(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.I115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.37 T 0.22 I 0.15 S 0.13 P 0.07 C 0.03 C Shift Assignments>> C :: 177.476(D) CA :: 66.712(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.555(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.687(D) Ave N Shift Values>> N :: 121.46(4.28) 2.Y116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 K 0.09 Q 0.09 H 0.09 E 0.08 M 0.08 W 0.07 C 0.06 F 0.06 L 0.06 Y 0.06 S 0.03 D 0.03 C Shift Assignments>> C :: 179.113(D) CA :: 56.766(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.399(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.355(D) Ave N Shift Values>> N :: 120.52(4.2) 2.K117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 W 0.08 I 0.07 V 0.05 E 0.05 T 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 179.303(D) CA :: 59.506(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.526(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.28(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 Y 0.11 F 0.11 S 0.1 W 0.09 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.03 I 0.02 L 0.02 V 0.01 T 0.01 HN Overlap>> 1.K18 1.K18 C Shift Assignments>> C :: 178.796(D) CA :: 58.313(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.272(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.153(D) Ave N Shift Values>> N :: 120.67(3.48) 2.L119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.1 W 0.09 E 0.06 I 0.05 K 0.05 R 0.04 H 0.04 V 0.04 T 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 177.856 CA :: 59.176(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 :: 8.207(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.573(D) Ave N Shift Values>> N :: 121.86(3.9) 2.S120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.265 CA :: 61.713(D) CB :: 62.556(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.826(D) HA :: 4.361(D) HB2 :: 4.175(D) HB3 :: 4.071(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.88(D) Ave N Shift Values>> N :: 116.28(3.52) 2.T121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.748(D) CA :: 62.271(D) CB :: 68.896(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 :: 7.443(D) HA :: 4.335(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.5(D) Ave N Shift Values>> N :: 115.42(4.75) 2.D122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.1 Q 0.09 L 0.09 R 0.09 K 0.08 E 0.06 W 0.06 C 0.06 D 0.05 F 0.05 Y 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 175.750 CA :: 56.157(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.315(D) HA :: 4.39(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.124(D) Ave N Shift Values>> N :: 120.65(3.86) 2.I123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 K 0.09 W 0.09 R 0.09 Q 0.08 H 0.08 C 0.07 F 0.07 Y 0.07 M 0.06 S 0.04 L 0.04 D 0.02 I 0.01 HN Overlap>> 2.S12 2.S12 C Shift Assignments>> C :: 175.776(D) CA :: 57.197(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 :: 8.382(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.434(D) Ave N Shift Values>> N :: 121.46(4.28) 2.E124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.16 E 0.13 K 0.11 H 0.1 Q 0.1 R 0.1 I 0.06 M 0.02 V 0.01 C Shift Assignments>> C :: 176.436(D) CA :: 58.871(D) CB :: 29.512(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.565(D) HA :: 3.98(D) HB2 :: 1.972(D) HB3 :: 1.921(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.304(D) Ave N Shift Values>> N :: 120.67(3.48) 2.D125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.41 D 0.25 L 0.08 F 0.08 C 0.07 Y 0.07 C Shift Assignments>> C :: 174.938(D) CA :: 53.315(D) CB :: 39.498(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.314(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.208(D) Ave N Shift Values>> N :: 120.65(3.86) 2.F126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.34 F 0.24 Y 0.23 C 0.15 HN Overlap>> 1.I74 2.C223 1.I74 2.C223 2.K238 2.K238 C Shift Assignments>> C :: 174.291(D) CA :: 60.8(D) CB :: 39.89(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 :: 7.895(D) HA :: 4.412(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 :: 120.747(D) Ave N Shift Values>> N :: 120.45(4.18) 2.V127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.32 V 0.16 K 0.11 Q 0.11 M 0.08 E 0.05 W 0.02 I 0.02 R 0.02 H 0.02 Y 0.01 C Shift Assignments>> C :: 173.061(D) CA :: 59.734(D) CB :: 34.268(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.217(D) HA :: 3.904(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.829(D) Ave N Shift Values>> N :: 121.14(4.54) 2.H128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.11 L 0.1 A 0.09 M 0.08 H 0.06 Q 0.06 R 0.05 K 0.04 C 0.04 W 0.04 E 0.03 F 0.02 Y 0.02 C Shift Assignments>> C :: 175.357(D) CA :: 54.457(D) 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 :: 8.352(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 128.813(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.P129 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.841 CA :: 45.094(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 11.026(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.387(D) Ave N Shift Values>> N :: 109.67(3.87) 2.H131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 C 0.15 R 0.13 H 0.13 K 0.13 W 0.08 E 0.05 Q 0.05 C Shift Assignments>> C :: 173.086(D) CA :: 54.355(D) CB :: 31.974(D) 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 :: 7.175(D) HA :: 4.69(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.367(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.G132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 171.552 CA :: 46.337(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.068(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.821(D) Ave N Shift Values>> N :: 109.67(3.87) 2.D133 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> N 0.24 A 0.23 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 C 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> C :: 178.136(D) CA :: 53.366(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 10.971(S) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.727(D) Ave N Shift Values>> N :: 120.65(3.86) 2.L134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.22 A 0.18 D 0.14 L 0.08 M 0.06 H 0.05 R 0.04 Q 0.04 C 0.03 K 0.03 W 0.02 F 0.02 E 0.01 Y 0.01 C Shift Assignments>> C :: 179.037(D) CA :: 53.67(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.669(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.627(D) Ave N Shift Values>> N :: 121.86(3.9) 2.S135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.27 P 0.27 T 0.22 I 0.16 C 0.03 C Shift Assignments>> C :: 175.827 CA :: 64.327(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.269(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.904(D) Ave N Shift Values>> N :: 116.28(3.52) 2.G136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 C 0.06 L 0.05 C Shift Assignments>> C :: 178.06(D) CA :: 46.946(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.704(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.291(D) Ave N Shift Values>> N :: 109.67(3.87) 2.W137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.1 E 0.09 R 0.09 W 0.08 Q 0.08 H 0.08 C 0.07 F 0.07 Y 0.07 M 0.07 L 0.05 S 0.04 D 0.02 HN Overlap>> 1.L83 1.L83 C Shift Assignments>> C :: 178.846(D) CA :: 57.07(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.771(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.687(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.A138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.68 M 0.24 C 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 181.397(D) CA :: 54.457(D) CB :: 19.305(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.832(D) HA :: 4.639(D) HB1 :: 1.672(D) HB2 :: 1.672(D) HB3 :: 1.672(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.221(D) Ave N Shift Values>> N :: 123.23(3.54) 2.K139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 K 0.17 M 0.13 Q 0.11 R 0.08 W 0.07 H 0.07 V 0.06 E 0.05 C Shift Assignments>> C :: 177.616(D) CA :: 58.186(D) CB :: 32.833(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.532(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.862(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Q140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.16 R 0.14 H 0.13 C 0.13 K 0.12 W 0.1 E 0.09 Q 0.07 V 0.01 C Shift Assignments>> C :: 174.9(D) CA :: 56.004(D) CB :: 31.577(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 :: 7.282(D) HA :: 4.328(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 :: 116.057(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.G141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.03 C Shift Assignments>> C :: 174.512 CA :: 45.648(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.761(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.112(D) Ave N Shift Values>> N :: 109.67(3.87) 2.V142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.19 T 0.14 V 0.13 C 0.11 S 0.07 F 0.07 Y 0.07 W 0.05 P 0.02 E 0.02 R 0.02 K 0.02 H 0.01 Q 0.01 C Shift Assignments>> C :: 174.342(D) CA :: 60.8(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.526(D) HA :: 4.528(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.692(D) Ave N Shift Values>> N :: 121.14(4.54) 2.L143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.18 D 0.15 A 0.14 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 C Shift Assignments>> C :: 173.86(D) CA :: 53.949(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.713(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 131.773(D) Ave N Shift Values>> N :: 121.86(3.9) 2.L144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.16 D 0.16 A 0.13 L 0.09 M 0.07 H 0.06 R 0.05 Q 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> C :: 177.664 CA :: 54.051(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 :: 8.774(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 :: 134.544(D) Ave N Shift Values>> N :: 121.86(3.9) 2.L145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 A 0.23 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 C 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> C :: 175.598(D) CA :: 53.366(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 :: 7.673(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.193(D) Ave N Shift Values>> N :: 121.86(3.9) 2.N146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.24 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.02 Q 0.02 W 0.02 K 0.01 F 0.01 Y 0.01 C Shift Assignments>> C :: 172.084(D) CA :: 52.632(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.493(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 :: 127.778(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.A147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.51 L 0.35 C 0.1 HN Overlap>> 2.Q155 2.Q155 C Shift Assignments>> C :: 176.753(D) CA :: 53.087(D) CB :: 21.827(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.757(D) HA :: 4.064(D) HB1 :: 1.776(D) HB2 :: 1.776(D) HB3 :: 1.776(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.392(D) Ave N Shift Values>> N :: 123.23(3.54) 2.V148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.24 T 0.19 V 0.18 C 0.08 P 0.05 F 0.04 S 0.04 Y 0.04 W 0.03 E 0.01 R 0.01 K 0.01 C Shift Assignments>> CA :: 61.459(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.685(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.846(D) Ave N Shift Values>> N :: 121.14(4.54) 2.L149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.743(D) CA :: 59.506(D) CB :: 72.142(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 :: 6.664(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.005(D) Ave N Shift Values>> N :: 115.42(4.75) 2.V151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.16 T 0.12 V 0.12 C 0.12 S 0.09 F 0.08 Y 0.08 W 0.06 E 0.02 R 0.02 K 0.02 H 0.01 P 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 171.678(D) CA :: 60.571(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.663(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.299(D) Ave N Shift Values>> N :: 121.14(4.54) 2.R152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 M 0.14 H 0.13 C 0.13 K 0.11 W 0.11 E 0.1 Q 0.07 V 0.01 C Shift Assignments>> C :: 175.662(D) CA :: 56.385(D) CB :: 31.407(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.256(D) HB2 :: 1.541(D) HB3 :: 1.476(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.71(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) 2.A153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.83 M 0.14 C 0.01 C Shift Assignments>> C :: 177.831(D) CA :: 52.934(D) CB :: 19.005(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.215(D) HA :: 4.168(D) HB1 :: 0.816(D) HB2 :: 0.816(D) HB3 :: 0.816(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.733(D) Ave N Shift Values>> N :: 123.23(3.54) 2.H154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 W 0.1 K 0.08 F 0.08 C 0.08 Y 0.08 R 0.08 H 0.07 Q 0.07 M 0.06 S 0.05 L 0.04 D 0.01 I 0.01 C Shift Assignments>> C :: 174.596(D) CA :: 57.425(D) 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 :: 8.963(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 112.496(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.Q155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 C 0.15 H 0.15 K 0.12 R 0.1 W 0.1 L 0.09 E 0.05 M 0.03 HN Overlap>> 2.A147 2.A147 C Shift Assignments>> C :: 173.517(D) CA :: 53.137(D) CB :: 28.467(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.683(D) HA :: 4.506(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.46(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.A156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.69 M 0.27 C 0.01 C Shift Assignments>> C :: 178.25(D) CA :: 53.391(D) CB :: 18.24(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.407(D) HA :: 3.904(D) HB1 :: 1.189(D) HB2 :: 1.189(D) HB3 :: 1.189(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.565(D) Ave N Shift Values>> N :: 123.23(3.54) 2.N157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 N 0.14 A 0.11 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> C :: 176.299 CA :: 54.249(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 :: 10.253(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.639(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.S158 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> E 0.1 W 0.09 K 0.09 R 0.08 F 0.08 C 0.08 Y 0.08 H 0.07 Q 0.07 M 0.06 S 0.05 L 0.04 D 0.02 I 0.01 C Shift Assignments>> C :: 177.083(D) CA :: 57.374(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.567(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 128.645(S) Ave N Shift Values>> N :: 116.28(3.52) 2.H159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.1 E 0.09 R 0.09 W 0.08 Q 0.08 H 0.08 C 0.07 F 0.07 Y 0.07 M 0.07 L 0.05 S 0.04 D 0.02 C Shift Assignments>> C :: 177.4(D) CA :: 57.095(D) 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 :: 8.594(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.925(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.K160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 M 0.17 C 0.16 Q 0.11 R 0.1 H 0.09 W 0.07 E 0.05 V 0.02 C Shift Assignments>> C :: 174.735(D) CA :: 56.791(D) CB :: 32.695(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.234(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.887(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E161 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> K 0.1 R 0.09 E 0.09 Q 0.08 H 0.08 W 0.08 M 0.07 C 0.07 F 0.07 Y 0.06 L 0.05 S 0.04 D 0.02 C Shift Assignments>> C :: 176.207(D) CA :: 56.979(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 11.178(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 :: 121.426(D) Ave N Shift Values>> N :: 120.67(3.48) 2.R162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.25 N 0.23 D 0.13 L 0.07 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 176.055(D) CA :: 53.264(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.881(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.066(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) 2.G163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 174.742 CA :: 45.932(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.932(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.64(D) Ave N Shift Values>> N :: 109.67(3.87) 2.W164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 I 0.12 S 0.11 Y 0.09 F 0.09 T 0.09 V 0.08 W 0.07 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.59(D) CA :: 60.089(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.86(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.677(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.E165 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> I 0.24 T 0.19 V 0.18 C 0.08 P 0.05 F 0.04 S 0.04 Y 0.04 W 0.03 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 178.199(D) CA :: 61.459(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 11.038(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 :: 120.047(D) Ave N Shift Values>> N :: 120.67(3.48) 2.Q166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 I 0.19 R 0.18 W 0.09 Q 0.07 L 0.07 H 0.05 E 0.05 K 0.04 C Shift Assignments>> C :: 178.757(D) CA :: 59.176(D) CB :: 27.111(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.564(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.032(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.F167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.22 I 0.22 V 0.21 P 0.09 C 0.06 S 0.05 F 0.03 Y 0.03 W 0.02 C Shift Assignments>> C :: 177.73(D) CA :: 61.942(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.15(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.007(D) Ave N Shift Values>> N :: 120.45(4.18) 2.T168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 178.732(D) CA :: 66.585(D) CB :: 69.434(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 10.14(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.207(D) Ave N Shift Values>> N :: 115.42(4.75) 2.D169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.28 C 0.15 I 0.09 D 0.07 L 0.05 N 0.03 C Shift Assignments>> C :: 178.428(D) CA :: 57.527(D) CB :: 39.292(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.746(D) HA :: 4.426(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.859(D) Ave N Shift Values>> N :: 120.65(3.86) 2.A170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.76 A 0.18 I 0.03 C 0.01 C Shift Assignments>> C :: 180.749(D) CA :: 55.116(D) CB :: 16.183(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.744(D) HA :: 4.219(D) HB1 :: 1.573(D) HB2 :: 1.573(D) HB3 :: 1.573(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.213(D) Ave N Shift Values>> N :: 123.23(3.54) 2.V171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.39 T 0.22 I 0.15 S 0.12 P 0.06 C 0.03 C Shift Assignments>> C :: 176.905(D) CA :: 66.813(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.614(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.256(D) Ave N Shift Values>> N :: 121.14(4.54) 2.V172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.65 V 0.21 I 0.07 S 0.02 C 0.01 P 0.01 C Shift Assignments>> C :: 177.320 CA :: 67.676(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.9(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.934(D) Ave N Shift Values>> N :: 121.14(4.54) 2.S173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.490 CA :: 61.053(D) CB :: 62.235(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.781(D) HA :: 4.088(D) HB2 :: 3.929(D) HB3 :: 3.856(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.947(D) Ave N Shift Values>> N :: 116.28(3.52) 2.W174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.23 V 0.2 T 0.17 S 0.17 I 0.13 C 0.03 F 0.01 Y 0.01 HN Overlap>> 1.L66 1.L66 C Shift Assignments>> C :: 179.985(D) CA :: 63.21(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.269(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.208(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.L175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 F 0.1 Y 0.09 C 0.09 E 0.09 K 0.08 R 0.07 S 0.07 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 HN Overlap>> 1.Q75 1.R17 1.Q75 1.R17 C Shift Assignments>> C :: 178.085 CA :: 57.744(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 :: 8.194(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 :: 121.34(D) Ave N Shift Values>> N :: 121.86(3.9) 2.N176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 F 0.17 Y 0.15 L 0.15 N 0.12 C 0.09 K 0.02 I 0.01 C Shift Assignments>> C :: 177.958(D) CA :: 55.446(D) CB :: 40.129(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.732(D) HA :: 4.194(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 :: 116.087(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.Q177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.14 W 0.14 H 0.13 R 0.13 Q 0.12 C 0.12 K 0.1 M 0.04 I 0.01 HN Overlap>> 2.N178 2.N178 C Shift Assignments>> C :: 176.799(D) CA :: 57.311(D) CB :: 29.902(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.845(D) HA :: 4.078(D) HB2 :: 1.867(D) HB3 :: 1.809(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 :: 114.55(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.N178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 D 0.17 Y 0.11 C 0.1 F 0.1 L 0.05 HN Overlap>> 2.Q177 2.Q177 C Shift Assignments>> C :: 174.012(D) CA :: 54.076(D) CB :: 38.8(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.868(D) HA :: 4.361(D) HB2 :: 1.87(D) HB3 :: 1.819(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 :: 114.537(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.S179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 171.779(D) CA :: 57.552(D) CB :: 63.796(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.567(D) HA :: 4.668(D) HB2 :: 3.885(D) HB3 :: 3.784(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.124(D) Ave N Shift Values>> N :: 116.28(3.52) 2.N180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 D 0.26 R 0.12 K 0.12 F 0.05 C 0.04 N 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 173.67(D) CA :: 53.594(D) CB :: 42.402(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.653(D) HA :: 4.499(D) HB2 :: 2.527(D) HB3 :: 2.426(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.48(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.G181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 175.547 CA :: 47.048(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.07(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.469(D) Ave N Shift Values>> N :: 109.67(3.87) 2.L182 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.28 D 0.18 K 0.16 R 0.15 F 0.07 Y 0.04 C 0.04 N 0.01 C Shift Assignments>> C :: 176.271(D) CA :: 55.015(D) CB :: 42.409(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 :: 10.556(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.136(D) Ave N Shift Values>> N :: 121.86(3.9) 2.V183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 T 0.17 V 0.16 C 0.09 S 0.06 F 0.05 Y 0.05 W 0.04 P 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 174.824(D) CA :: 61.18(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.416(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.959(D) Ave N Shift Values>> N :: 121.14(4.54) 2.F184 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.1 L 0.09 Q 0.09 R 0.09 K 0.08 E 0.06 W 0.06 C 0.05 D 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 173.149(D) CA :: 56.08(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.345(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 :: 127.18(D) Ave N Shift Values>> N :: 120.45(4.18) 2.L185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.27 N 0.23 D 0.12 L 0.07 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 175.129(D) CA :: 53.163(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 :: 8.714(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.621(D) Ave N Shift Values>> N :: 121.86(3.9) 2.L186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.32 N 0.24 D 0.11 L 0.06 M 0.04 C 0.03 H 0.03 R 0.02 Q 0.02 W 0.01 K 0.01 F 0.01 P 0.01 Y 0.01 C Shift Assignments>> C :: 174.203(D) CA :: 52.478(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 :: 8.707(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.465(D) Ave N Shift Values>> N :: 121.86(3.9) 2.W187 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.24 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.02 Q 0.02 W 0.01 K 0.01 F 0.01 P 0.01 Y 0.01 C Shift Assignments>> C :: 177.07(D) CA :: 52.499(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.741(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 130.723(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.G188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.4 L 0.26 R 0.18 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 173.061(D) CA :: 44.303(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.205(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.038(D) Ave N Shift Values>> N :: 109.67(3.87) 2.S189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.24 T 0.21 V 0.19 C 0.07 P 0.07 F 0.04 Y 0.03 S 0.03 W 0.03 C Shift Assignments>> C :: 176.080 CA :: 61.688(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.661(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.463(D) Ave N Shift Values>> N :: 116.28(3.52) 2.Y190 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.24 V 0.22 I 0.2 P 0.1 S 0.06 C 0.06 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 178.685 CA :: 62.17(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.478(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 126.539(D) Ave N Shift Values>> N :: 120.52(4.2) 2.A191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.56 M 0.37 C 0.03 I 0.01 C Shift Assignments>> C :: 179.189(D) CA :: 54.685(D) CB :: 18.705(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.213(D) HB1 :: 1.462(D) HB2 :: 1.462(D) HB3 :: 1.462(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.971(D) Ave N Shift Values>> N :: 123.23(3.54) 2.Q192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.12 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.04 Q 0.04 M 0.03 I 0.03 V 0.02 L 0.02 T 0.02 C Shift Assignments>> C :: 178.846(D) CA :: 58.592(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.865(D) HA :: 3.784(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 :: 116.108(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.K193 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.15 R 0.12 E 0.11 H 0.1 K 0.08 M 0.06 V 0.06 Q 0.05 I 0.01 C Shift Assignments>> C :: 179.811(D) CA :: 59.049(D) CB :: 31.158(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.005(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.294(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.11 Y 0.1 C 0.1 W 0.1 E 0.08 S 0.08 K 0.07 R 0.06 H 0.06 Q 0.05 M 0.04 L 0.03 I 0.02 V 0.01 D 0.01 T 0.01 C Shift Assignments>> C :: 177.857(D) CA :: 57.983(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.849(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.343(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.G195 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 R 0.28 G 0.24 F 0.04 C 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 174.416(D) CA :: 43.978(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.869(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.14(D) Ave N Shift Values>> N :: 109.67(3.87) 2.S196 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.270 CA :: 61.459(D) CB :: 62.855(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.376(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.955(D) Ave N Shift Values>> N :: 116.28(3.52) 2.A197 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 M 0.08 C 0.01 HN Overlap>> 2.K239 2.K239 C Shift Assignments>> C :: 176.854(D) CA :: 51.031(D) CB :: 18.479(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.287(D) HA :: 4.371(D) HB1 :: 1.203(D) HB2 :: 1.203(D) HB3 :: 1.203(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.933(D) Ave N Shift Values>> N :: 123.23(3.54) 2.I198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.21 T 0.16 V 0.15 C 0.1 S 0.06 F 0.06 Y 0.06 W 0.04 P 0.03 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 175.979(D) CA :: 61.053(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.736(D) HA :: 4.357(D) HB :: 1.099(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.175(D) Ave N Shift Values>> N :: 121.46(4.28) 2.D199 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 N 0.15 A 0.12 L 0.1 M 0.07 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> C :: 176.258(D) CA :: 54.178(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.037(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 129.571(D) Ave N Shift Values>> N :: 120.65(3.86) 2.R200 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.12 I 0.1 Y 0.1 F 0.1 W 0.08 T 0.07 V 0.07 E 0.04 K 0.03 R 0.03 H 0.03 Q 0.02 M 0.01 HN Overlap>> 2.F100 2.F100 C Shift Assignments>> C :: 177.307 CA :: 59.836(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.813(D) HA :: 4.088(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 113.236(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) 2.K201 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.26 N 0.23 D 0.12 L 0.07 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 173.847(D) CA :: 53.213(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.791(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.168(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.R202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 K 0.19 C 0.17 Q 0.16 R 0.08 H 0.07 W 0.05 E 0.03 V 0.02 C Shift Assignments>> C :: 174.862(D) CA :: 56.512(D) CB :: 33.132(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.236(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.231(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) 2.H203 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.26 C 0.22 Q 0.19 K 0.12 E 0.06 H 0.03 N 0.02 R 0.02 W 0.01 Y 0.01 C Shift Assignments>> C :: 173.023(D) CA :: 53.975(D) CB :: 34.627(D) 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 :: 7.751(D) HA :: 4.68(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.439(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.H204 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 C 0.16 K 0.15 H 0.11 R 0.11 Q 0.1 W 0.06 E 0.03 C Shift Assignments>> C :: 174.444(D) CA :: 54.127(D) CB :: 32.534(D) 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 :: 9.063(D) HA :: 4.868(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.28(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.V205 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.39 C 0.27 P 0.1 K 0.05 W 0.04 Q 0.02 M 0.02 R 0.02 H 0.01 I 0.01 E 0.01 C Shift Assignments>> C :: 174.672(D) CA :: 61.459(D) CB :: 33.192(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.862(D) HA :: 4.752(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.416(D) Ave N Shift Values>> N :: 121.14(4.54) 2.L206 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 A 0.23 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 C 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> C :: 174.786(D) CA :: 53.366(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.044(D) HB2 :: 1.885(D) HB3 :: 1.848(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 131.863(D) Ave N Shift Values>> N :: 121.86(3.9) 2.Q207 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> M 0.25 C 0.18 K 0.15 H 0.13 R 0.12 W 0.07 Q 0.04 E 0.04 HN Overlap>> 2.Y58 2.Y58 C Shift Assignments>> C :: 175.383(D) CA :: 53.645(D) CB :: 32.354(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 :: 8.702(D) HA :: 5.807(S) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.955(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.T208 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.15 C 0.12 T 0.11 V 0.1 S 0.09 F 0.08 Y 0.08 W 0.06 E 0.03 K 0.02 R 0.02 H 0.02 Q 0.01 M 0.01 P 0.01 HN Overlap>> 2.S3 2.S3 C Shift Assignments>> C :: 172.261(D) CA :: 60.368(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.423(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.594(D) Ave N Shift Values>> N :: 115.42(4.75) 2.A209 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.93 C 0.02 M 0.02 L 0.01 HN Overlap>> 2.C99 2.C99 C Shift Assignments>> C :: 173.467(D) CA :: 51.082(D) CB :: 20.214(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.793(D) HB1 :: 1.211(D) HB2 :: 1.211(D) HB3 :: 1.211(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.526(D) Ave N Shift Values>> N :: 123.23(3.54) 2.H210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 L 0.1 H 0.09 Q 0.09 R 0.08 K 0.08 E 0.06 W 0.06 D 0.06 C 0.05 F 0.05 Y 0.04 N 0.02 S 0.02 A 0.01 HN Overlap>> 1.S14 1.S14 2.S4 2.S4 C Shift Assignments>> C :: 180.838(D) CA :: 56.004(D) 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 :: 8.289(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.735(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.P211 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S212 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.416(D) CA :: 56.994(D) CB :: 62.775(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.266(S) HA :: 4.509(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.64(D) Ave N Shift Values>> N :: 116.28(3.52) 2.P213 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L214 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 L 0.2 F 0.15 D 0.13 Y 0.12 C 0.07 R 0.05 I 0.01 N 0.01 C Shift Assignments>> C :: 177.476(D) CA :: 56.766(D) CB :: 41.624(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 :: 7.833(D) HB2 :: 1.623(D) HB3 :: 1.531(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.302(D) Ave N Shift Values>> N :: 121.86(3.9) 2.S215 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 :: 175.877(D) CA :: 58.009(D) CB :: 65.357(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.972(D) HB2 :: 3.528(D) HB3 :: 3.457(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.232(D) Ave N Shift Values>> N :: 116.28(3.52) 2.V216 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.27 V 0.2 P 0.19 T 0.16 I 0.11 C 0.02 C Shift Assignments>> C :: 175.078(D) CA :: 64.327(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.939(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.394(D) Ave N Shift Values>> N :: 121.14(4.54) 2.Y217 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.29 E 0.23 I 0.14 Y 0.12 F 0.07 M 0.04 K 0.03 V 0.02 Q 0.01 C Shift Assignments>> C :: 175.941(D) CA :: 59.379(D) CB :: 36.302(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.66(D) HA :: 4.666(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.042(D) Ave N Shift Values>> N :: 120.52(4.2) 2.R218 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 L 0.11 M 0.09 N 0.08 H 0.07 A 0.06 Q 0.06 R 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> C :: 176.131(D) CA :: 54.786(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.141(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.658(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) 2.G219 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.53(D) CA :: 45.399(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.401(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.075(D) Ave N Shift Values>> N :: 109.67(3.87) 2.F220 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.25 T 0.21 V 0.19 C 0.07 P 0.06 F 0.04 Y 0.04 S 0.03 W 0.03 C Shift Assignments>> C :: 177.413(D) CA :: 61.662(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.972(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.468(D) Ave N Shift Values>> N :: 120.45(4.18) 2.F221 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.25 C 0.23 M 0.14 N 0.11 Y 0.07 K 0.05 F 0.04 Q 0.03 I 0.01 C Shift Assignments>> C :: 178.098(D) CA :: 55.015(D) CB :: 36.207(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 :: 7.155(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 :: 117.869(D) Ave N Shift Values>> N :: 120.45(4.18) 2.G222 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> G 0.54 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.291 CA :: 44.561(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 11.089(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.569(D) Ave N Shift Values>> N :: 109.67(3.87) 2.C223 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.13 Y 0.1 F 0.1 W 0.08 I 0.06 E 0.05 K 0.04 R 0.04 V 0.04 T 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 HN Overlap>> 1.I74 1.I74 2.I22 2.F126 2.I22 2.F126 C Shift Assignments>> C :: 174.9(D) CA :: 59.273(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.82(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.709(D) Ave N Shift Values>> N :: 120.17(4.64) 2.R224 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.11 Y 0.11 C 0.1 W 0.1 E 0.08 S 0.08 K 0.07 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 176.309(D) CA :: 58.009(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.055(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.827(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) 2.H225 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 K 0.15 M 0.13 R 0.11 W 0.1 H 0.1 E 0.08 V 0.05 Q 0.05 C Shift Assignments>> C :: 176.677(D) CA :: 58.034(D) CB :: 32.154(D) 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 :: 7.103(D) HA :: 3.912(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 113.392(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.F226 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 I 0.24 V 0.11 E 0.1 Y 0.08 F 0.04 K 0.02 M 0.01 C Shift Assignments>> C :: 178.199(D) CA :: 61.256(D) CB :: 35.883(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 :: 7.398(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.361(D) Ave N Shift Values>> N :: 120.45(4.18) 2.S227 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.21 T 0.16 V 0.15 C 0.1 S 0.06 F 0.06 Y 0.06 W 0.04 P 0.03 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 179.885 CA :: 61.079(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.196(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.241(D) Ave N Shift Values>> N :: 116.28(3.52) 2.K228 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 V 0.14 K 0.14 W 0.09 M 0.08 R 0.08 H 0.06 Q 0.06 E 0.05 C Shift Assignments>> C :: 178.948(D) CA :: 59.404(D) CB :: 32.594(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.096(D) HA :: 4.035(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.208(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.T229 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.51 T 0.23 I 0.15 S 0.03 C 0.03 P 0.01 HN Overlap>> 1.T60 1.T60 C Shift Assignments>> C :: 175.074 CA :: 68.158(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 :: 7.994(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.927(D) Ave N Shift Values>> N :: 115.42(4.75) 2.N230 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 N 0.2 E 0.19 Y 0.13 F 0.09 M 0.07 D 0.02 I 0.01 K 0.01 C Shift Assignments>> C :: 177.78(D) CA :: 55.116(D) CB :: 37.078(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.164(D) HA :: 4.738(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 :: 120.841(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.E231 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.16 E 0.12 K 0.11 I 0.09 Q 0.09 H 0.09 R 0.08 M 0.01 V 0.01 C Shift Assignments>> C :: 178.884(D) CA :: 59.328(D) CB :: 29.244(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.119(D) HA :: 4.038(D) HB2 :: 2.172(D) HB3 :: 2.092(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.327(D) Ave N Shift Values>> N :: 120.67(3.48) 2.L232 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 E 0.1 F 0.08 C 0.08 K 0.08 Y 0.08 R 0.08 H 0.07 Q 0.07 S 0.06 M 0.05 L 0.04 D 0.01 I 0.01 HN Overlap>> 2.M21 2.M21 C Shift Assignments>> C :: 180.344 CA :: 57.501(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 :: 7.959(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 :: 121.423(D) Ave N Shift Values>> N :: 121.86(3.9) 2.L233 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.1 Y 0.1 W 0.1 C 0.1 E 0.08 S 0.08 K 0.07 R 0.07 H 0.06 Q 0.05 M 0.04 L 0.03 I 0.01 V 0.01 D 0.01 T 0.01 C Shift Assignments>> C :: 179.341(D) CA :: 57.933(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 :: 8.68(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 :: 121.751(D) Ave N Shift Values>> N :: 121.86(3.9) 2.Q234 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.14 I 0.14 K 0.12 E 0.1 Q 0.1 H 0.08 R 0.07 L 0.01 M 0.01 HN Overlap>> 1.S64 1.S64 C Shift Assignments>> C :: 180.343(D) CA :: 59.252(D) CB :: 28.527(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 :: 8.132(D) HA :: 4.233(D) HB2 :: 2.153(D) HB3 :: 2.095(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.618(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.K235 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 K 0.14 W 0.11 R 0.1 M 0.1 V 0.09 H 0.08 E 0.07 Q 0.04 HN Overlap>> 1.A80 1.A80 C Shift Assignments>> C :: 177.768(D) CA :: 58.897(D) CB :: 32.154(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.079(D) HA :: 4.081(D) HB2 :: 1.962(D) HB3 :: 1.904(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.072(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.S236 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.974(D) CA :: 58.085(D) CB :: 63.692(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.541(D) HA :: 4.654(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.8(D) Ave N Shift Values>> N :: 116.28(3.52) 2.G237 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.152(D) CA :: 45.703(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.903(D) HA2 :: 3.82(D) HA3 :: 3.762(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.513(D) Ave N Shift Values>> N :: 109.67(3.87) 2.K238 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 C 0.16 K 0.15 H 0.11 R 0.11 Q 0.1 W 0.06 E 0.03 HN Overlap>> 2.F126 2.F126 C Shift Assignments>> C :: 175.141(D) CA :: 54.152(D) CB :: 32.594(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.992(D) HA :: 4.47(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.797(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K239 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 C 0.16 K 0.15 H 0.11 R 0.11 Q 0.09 W 0.06 E 0.03 HN Overlap>> 1.R19 1.R19 2.A197 2.A197 C Shift Assignments>> C :: 174.367(D) CA :: 53.949(D) CB :: 32.515(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.255(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.837(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.P240 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I241 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D242 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.23 P 0.1 D 0.1 L 0.04 M 0.03 C 0.03 H 0.02 R 0.02 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> C :: 177.489(D) CA :: 51.742(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.242(D) HA :: 4.849(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.815(D) Ave N Shift Values>> N :: 120.65(3.86) 2.W243 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.15 E 0.14 R 0.13 H 0.12 Q 0.08 K 0.07 M 0.06 V 0.03 I 0.01 C Shift Assignments>> C :: 176.861(D) CA :: 58.288(D) CB :: 30.74(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.836(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 127.739(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.K244 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.17 K 0.15 C 0.15 R 0.13 H 0.12 W 0.09 E 0.08 Q 0.05 V 0.01 C Shift Assignments>> C :: 176.156(D) CA :: 56.537(D) CB :: 31.996(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.218(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.366(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E245 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 L 0.14 Q 0.14 C 0.12 H 0.09 K 0.09 W 0.08 E 0.07 I 0.02 M 0.01 C Shift Assignments>> C :: 171.64(D) CA :: 56.004(D) CB :: 27.689(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.49(D) HA :: 4.252(D) HB2 :: 1.674(D) HB3 :: 1.602(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.571(D) Ave N Shift Values>> N :: 120.67(3.48) 2.L246 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.14 L 0.12 M 0.09 H 0.08 Q 0.07 N 0.07 R 0.06 K 0.05 A 0.05 C 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> CA :: 54.964(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 :: 7.203(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 131.641(D) Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 161 #Clerical: 193 #Suspicious: 11 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 313 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 52 Shift Relative Order (SRO) Results: #Consistent: 365 #Suspicious: 0 C Shift Results: #Consistent: 457 #Duplicate: 449 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 643 #Duplicate: 320 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 108 #Duplicate: 203 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 2.C26 CA = 56.233(D), Expected = 58.30, Std = 3.3300, ChiSquare = 5.3478e-01 2.C26 H = 8.154(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.2466e-01 2.C26 HA = 4.349(D), Expected = 4.66, Std = 0.5500, ChiSquare = 5.7176e-01 2.C26 N = 118.282(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.8408e-01 2.F27 CA = 56.055(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.3073e-01 2.F27 H = 7.662(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.3232e-01 2.F27 N = 124.112(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.8099e-01 2.G28 C = 175.141(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.9900e-01 2.G28 CA = 46.617(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.4439e-01 2.G28 H = 8.14(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7005e-01 2.G28 N = 113.029(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.8542e-01 2.E29 CA = 60.368(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.4474e-01 2.E29 H = 9.093(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.9593e-01 2.E29 N = 127.336(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.5427e-02 2.S30 CA = 61.459(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.8577e-01 2.S30 H = 9.052(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.9071e-01 2.S30 N = 116.457(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.5990e-01 2.W31 C = 177.806(D), Expected = 176.12, Std = 2.0100, ChiSquare = 4.0158e-01 2.W31 CA = 59.176(D), Expected = 57.66, Std = 2.5800, ChiSquare = 5.5680e-01 2.W31 CB = 28.492(D), Expected = 30.01, Std = 2.0100, ChiSquare = 4.5011e-01 2.W31 H = 7.084(D), Expected = 8.29, Std = 0.7900, ChiSquare = 1.2686e-01 2.W31 N = 123.571(D), Expected = 121.68, Std = 4.1800, ChiSquare = 6.5099e-01 2.K32 CA = 60.14(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.4706e-01 2.K32 H = 8.709(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.8704e-01 2.K32 N = 122.853(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.3247e-01 2.K33 C = 177.895(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.3033e-01 2.K33 CA = 58.694(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.2794e-01 2.K33 CB = 31.637(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.1714e-01 2.K33 H = 7.796(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.1140e-01 2.K33 HA = 3.803(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.8852e-01 2.K33 N = 116.96(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.7797e-01 2.H34 C = 176.083(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.7241e-01 2.H34 CA = 57.451(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.8693e-01 2.H34 CB = 30.653(D), Expected = 30.24, Std = 2.0700, ChiSquare = 8.4186e-01 2.H34 H = 6.699(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.3441e-02 2.H34 HA = 4.473(D), Expected = 4.61, Std = 0.4300, ChiSquare = 7.5003e-01 2.H34 N = 114.888(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.2995e-01 2.L35 C = 176.258(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.1161e-01 2.L35 CA = 54.152(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.9070e-01 2.L35 H = 7.757(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.6680e-01 2.L35 N = 118.789(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.3103e-01 2.S36 CA = 60.292(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.4760e-01 2.S36 CB = 62.235(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.9031e-01 2.S36 H = 7.456(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.6253e-01 2.S36 N = 114.808(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.7581e-01 2.G37 CA = 46.16(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.4553e-01 2.G37 H = 8.609(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.6776e-01 2.G37 N = 113.162(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.6688e-01 2.E38 C = 177.476(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.5598e-01 2.E38 CA = 57.425(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.5993e-01 2.E38 H = 7.85(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.1590e-01 2.E38 HA = 3.962(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.8241e-01 2.E38 N = 117.818(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.1248e-01 2.F39 C = 176.03(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.5920e-01 2.F39 CA = 55.776(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.6999e-01 2.F39 H = 6.584(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.3638e-02 2.F39 N = 113.003(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.4818e-02 2.G40 CA = 43.775(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.3985e-01 2.G40 H = 7.253(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.7535e-02 2.G40 N = 102.168(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.2562e-02 2.K41 C = 175.611(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.0690e-01 2.K41 CA = 55.243(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.3780e-01 2.K41 H = 7.444(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.1374e-01 2.K41 N = 123.395(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.3393e-01 2.Y43 C = 176.385(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.2062e-01 2.Y43 CA = 60.368(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.7259e-01 2.Y43 CB = 35.464(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.4231e-02 2.Y43 H = 8.708(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.9507e-01 2.Y43 HA = 4.26(D), Expected = 4.63, Std = 0.5600, ChiSquare = 5.0880e-01 2.Y43 N = 115.407(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.2346e-01 2.F44 C = 176.93(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.4798e-01 2.F44 CA = 60.597(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.2739e-01 2.F44 H = 6.583(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.3585e-02 2.F44 N = 129.902(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.3744e-02 2.I45 C = 179.772(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.1081e-02 2.I45 CA = 64.783(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.3643e-01 2.I45 H = 7.525(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.6687e-01 2.I45 N = 122.039(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.9239e-01 2.K46 C = 179.125(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.1405e-01 2.K46 CA = 59.227(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.0067e-01 2.K46 CB = 31.931(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.2939e-01 2.K46 H = 7.963(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.0518e-01 2.K46 HA = 3.912(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.1585e-01 2.K46 N = 121.576(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.8904e-01 2.L47 C = 177.451(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.1589e-01 2.L47 CA = 57.78(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1054e-01 2.L47 H = 7.696(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.1134e-01 2.L47 N = 124.892(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.3690e-01 2.M48 C = 180.09(D), Expected = 176.18, Std = 2.0900, ChiSquare = 6.1371e-02 2.M48 CA = 57.273(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.0200e-01 2.M48 H = 8.207(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.2961e-01 2.M48 HA = 4.281(D), Expected = 4.41, Std = 0.4800, ChiSquare = 7.8812e-01 2.M48 N = 117.435(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.5706e-01 2.G49 C = 175.497(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.8681e-01 2.G49 CA = 46.845(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.6456e-01 2.G49 H = 7.887(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.9553e-01 2.G49 HA2 = 3.861(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.6830e-01 2.G49 HA3 = 3.803(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.9320e-01 2.G49 N = 109.018(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.6621e-01 2.F50 C = 176.423(D), Expected = 175.42, Std = 1.9900, ChiSquare = 6.1425e-01 2.F50 CA = 60.597(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.2739e-01 2.F50 H = 8.115(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.3365e-01 2.F50 N = 126.109(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.7579e-01 2.V51 C = 177.235(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.9533e-01 2.V51 CA = 67.168(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.0191e-01 2.V51 H = 8.592(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.5217e-01 2.V51 N = 120.765(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.3417e-01 2.A52 C = 180.597(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.7982e-01 2.A52 CA = 55.142(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.1196e-01 2.A52 CB = 17.684(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.6870e-01 2.A52 H = 7.843(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.5184e-01 2.A52 HA = 3.955(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.8820e-01 2.A52 HB1 = 1.406(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2947e-01 2.A52 HB2 = 1.406(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2947e-01 2.A52 HB3 = 1.406(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2947e-01 2.A52 N = 120.951(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.1971e-01 2.E53 C = 179.544(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.7029e-01 2.E53 CA = 58.871(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.5802e-01 2.E53 CB = 28.792(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.7886e-01 2.E53 H = 7.79(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.6006e-01 2.E53 N = 120.533(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.6860e-01 2.E54 C = 178.669(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.5623e-01 2.E54 CA = 60.292(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.5502e-01 2.E54 H = 8.328(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.9730e-01 2.E54 N = 122.056(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.9043e-01 2.R55 C = 177.527(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.8215e-01 2.R55 CA = 59.049(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.2385e-01 2.R55 H = 8.209(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.5947e-01 2.R55 N = 116.313(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.2273e-01 2.K56 C = 177.146(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.0027e-01 2.K56 CA = 57.806(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.9721e-01 2.K56 CB = 32.034(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.7104e-01 2.K56 H = 7.411(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.9417e-01 2.K56 HA = 3.944(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.5875e-01 2.K56 N = 117.686(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.7223e-01 2.H57 C = 172.959(D), Expected = 175.25, Std = 1.9700, ChiSquare = 2.4485e-01 2.H57 CA = 55.776(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.4739e-01 2.H57 CB = 31.517(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.3730e-01 2.H57 H = 7.128(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.0199e-01 2.H57 N = 115.091(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.5025e-01 2.Y58 C = 174.672(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.1449e-01 2.Y58 CA = 55.852(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.6411e-01 2.Y58 CB = 41.461(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.2159e-01 2.Y58 H = 8.597(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.0435e-01 2.Y58 HA = 4.738(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.4707e-01 2.Y58 N = 119.992(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.9996e-01 2.T59 C = 172.223(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.8801e-01 2.T59 CA = 63.438(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.3816e-01 2.T59 H = 8.781(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.8289e-01 2.T59 N = 119.299(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.1414e-01 2.V60 C = 173.53(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.7133e-01 2.V60 CA = 59.557(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.0512e-01 2.V60 H = 8.174(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.6255e-01 2.V60 N = 130.076(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.9036e-02 2.Y61 C = 173.911(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.5431e-01 2.Y61 CA = 52.604(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.7694e-02 2.Y61 H = 9.033(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.2871e-01 2.Y61 N = 127.815(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.2404e-02 2.H65 C = 175.433(D), Expected = 175.25, Std = 1.9700, ChiSquare = 9.2599e-01 2.H65 CA = 57.552(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.5505e-01 2.H65 H = 8.278(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.5544e-01 2.H65 N = 112.886(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.8943e-02 2.Q66 C = 174.583(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.7581e-01 2.Q66 CA = 53.949(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.2066e-01 2.Q66 H = 7.897(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.8406e-01 2.Q66 N = 120.591(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.4561e-01 2.V67 C = 176.918(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.9451e-01 2.V67 CA = 65.722(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.5845e-01 2.V67 H = 6.836(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.9996e-02 2.V67 N = 121.301(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.7171e-01 2.F68 CA = 54.888(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.1423e-01 2.F68 H = 8.372(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.8670e-01 2.F68 N = 113.297(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.7036e-02 2.T69 CA = 66.026(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.4170e-01 2.T69 CB = 68.539(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.6498e-01 2.T69 H = 7.341(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.4706e-01 2.T69 N = 120.332(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.0109e-01 2.W70 C = 175.814(D), Expected = 176.12, Std = 2.0100, ChiSquare = 8.7900e-01 2.W70 CA = 55.776(D), Expected = 57.66, Std = 2.5800, ChiSquare = 4.6525e-01 2.W70 H = 6.942(D), Expected = 8.29, Std = 0.7900, ChiSquare = 8.7947e-02 2.W70 N = 116.786(D), Expected = 121.68, Std = 4.1800, ChiSquare = 2.4167e-01 2.T71 C = 174.404(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.3841e-01 2.T71 CA = 61.053(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.5229e-01 2.T71 H = 6.778(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.8371e-02 2.T71 N = 110.61(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.1124e-01 2.Q72 C = 176.943(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.4547e-01 2.Q72 CA = 55.954(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.7346e-01 2.Q72 H = 7.461(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.9829e-01 2.Q72 N = 119.108(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.2804e-01 2.M73 C = 174.989(D), Expected = 176.18, Std = 2.0900, ChiSquare = 5.6878e-01 2.M73 CA = 55.345(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.3156e-01 2.M73 CB = 33.192(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.2815e-01 2.M73 H = 7.062(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.5861e-02 2.M73 HA = 4.523(D), Expected = 4.41, Std = 0.4800, ChiSquare = 8.1389e-01 2.M73 N = 115.774(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.2668e-01 2.C74 C = 171.931(D), Expected = 174.95, Std = 2.0700, ChiSquare = 1.4472e-01 2.C74 CA = 55.675(D), Expected = 58.30, Std = 3.3300, ChiSquare = 4.3053e-01 2.C74 CB = 29.962(D), Expected = 32.49, Std = 6.0100, ChiSquare = 6.7402e-01 2.C74 H = 7.526(D), Expected = 8.39, Std = 0.6700, ChiSquare = 1.9721e-01 2.C74 HA = 4.777(D), Expected = 4.66, Std = 0.5500, ChiSquare = 8.3154e-01 2.C74 N = 112.096(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.1844e-02 2.D75 C = 177.489(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.3375e-01 2.D75 CA = 53.797(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.6001e-01 2.D75 CB = 42.601(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.8808e-01 2.D75 H = 9.174(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.3631e-01 2.D75 N = 125.69(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.9165e-01 2.I76 C = 176.106(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.9393e-01 2.I76 CA = 64.931(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.1528e-01 2.I76 H = 7.514(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.5997e-01 2.I76 N = 132.213(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.1992e-02 2.K77 C = 176.842(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.1955e-01 2.K77 CA = 57.298(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.7431e-01 2.K77 CB = 31.039(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.2526e-01 2.K77 H = 8.854(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.6844e-01 2.K77 HA = 4.078(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.6257e-01 2.K77 HB2 = 1.773(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.7766e-01 2.K77 HB3 = 1.715(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.2623e-01 2.K77 N = 120.947(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.7820e-01 2.D78 C = 175.789(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.2698e-01 2.D78 CA = 53.924(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.0592e-01 2.D78 H = 7.839(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.1675e-01 2.D78 N = 119.666(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.9878e-01 2.V79 C = 175.522(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.5886e-01 2.V79 CA = 64.732(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.3309e-01 2.V79 H = 6.791(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.5266e-02 2.V79 N = 120.61(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.0707e-01 2.K80 C = 174.279(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.3780e-01 2.K80 CA = 56.867(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.6991e-01 2.K80 H = 9.596(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.9112e-02 2.K80 N = 126.986(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.1536e-01 2.V81 C = 173.061(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.7803e-01 2.V81 CA = 58.77(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.9336e-01 2.V81 CB = 36.421(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.9207e-02 2.V81 H = 7.7(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.7854e-01 2.V81 N = 120.392(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.6913e-01 2.V82 C = 173.137(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.9127e-01 2.V82 CA = 60.47(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.8001e-01 2.V82 H = 9.143(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.0297e-01 2.V82 HA = 4.545(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.4049e-01 2.V82 N = 128.065(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.2718e-01 2.I83 C = 174.355(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.3619e-01 2.I83 CA = 60.927(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.9884e-01 2.I83 H = 9.071(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.4473e-01 2.I83 N = 128.469(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.0150e-01 2.L84 CA = 52.884(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9896e-01 2.L84 H = 5.943(S), Expected = 8.23, Std = 0.6500, ChiSquare = 4.3406e-04 2.L84 N = 123.28(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.1578e-01 2.G85 CA = 42.988(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.7953e-02 2.G85 H = 8.527(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.6183e-01 2.G85 N = 111.883(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.6743e-01 2.Q86 C = 171.449(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.2673e-02 2.Q86 CA = 56.766(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.2703e-01 2.Q86 CB = 28.467(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.9118e-01 2.Q86 H = 8(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.0924e-01 2.Q86 N = 123.542(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.1037e-01 2.D87 C = 173.035(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.4498e-02 2.D87 CA = 51.184(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.4151e-02 2.D87 CB = 43.202(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.5176e-01 2.D87 H = 7.621(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.3486e-01 2.D87 HA = 5.166(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.1861e-02 2.D87 N = 122.181(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.9164e-01 2.Y89 C = 177.324(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.3363e-01 2.Y89 CA = 58.922(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.5235e-01 2.Y89 CB = 39.651(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.7821e-01 2.Y89 H = 6.98(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.6415e-02 2.Y89 N = 119.068(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.2956e-01 2.H90 C = 174.875(D), Expected = 175.25, Std = 1.9700, ChiSquare = 8.4903e-01 2.H90 CA = 54.863(D), Expected = 56.52, Std = 2.3100, ChiSquare = 4.7318e-01 2.H90 H = 8.02(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.4629e-01 2.H90 N = 116.653(D), Expected = 119.69, Std = 4.0000, ChiSquare = 4.4770e-01 2.G91 C = 171.703(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.4905e-01 2.G91 CA = 43.09(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1687e-02 2.G91 H = 7.368(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.3887e-01 2.G91 N = 110.409(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4856e-01 2.N93 C = 173.149(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.3605e-01 2.N93 CA = 54.685(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.4250e-01 2.N93 CB = 37.403(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.4634e-01 2.N93 H = 7.559(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.1509e-01 2.N93 N = 115.469(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.9045e-01 2.Q94 C = 175.23(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.7968e-01 2.Q94 CA = 58.186(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.5017e-01 2.Q94 H = 6.558(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.8482e-03 2.Q94 HA = 4.035(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.9328e-01 2.Q94 N = 115.991(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.7878e-01 2.A95 C = 179.506(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.0704e-01 2.A95 CA = 52.016(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.7025e-01 2.A95 CB = 19.018(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.9651e-01 2.A95 H = 9.187(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.9970e-02 2.A95 HB1 = 1.592(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.5197e-01 2.A95 HB2 = 1.592(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.5197e-01 2.A95 HB3 = 1.592(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.5197e-01 2.A95 N = 121.108(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.4888e-01 2.H96 CA = 55.116(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.4333e-01 2.H96 H = 9.164(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.7420e-01 2.H96 HA = 4.789(D), Expected = 4.61, Std = 0.4300, ChiSquare = 6.7721e-01 2.H96 N = 117.758(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.2910e-01 2.G97 CA = 46.439(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.1640e-01 2.G97 H = 8.399(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.1546e-01 2.G97 N = 110.216(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.8780e-01 2.L98 C = 175.903(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.8301e-01 2.L98 CA = 51.712(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.6544e-02 2.L98 H = 6.085(S), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6685e-04 2.L98 N = 116.591(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.7669e-01 2.C99 C = 173.162(D), Expected = 174.95, Std = 2.0700, ChiSquare = 3.8772e-01 2.C99 CA = 58.085(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.4852e-01 2.C99 H = 7.736(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.2901e-01 2.C99 N = 125.461(D), Expected = 120.17, Std = 4.6400, ChiSquare = 2.5416e-01 2.F100 CA = 63.794(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.6192e-02 2.F100 H = 7.853(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.8133e-01 2.F100 N = 113.228(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.4033e-02 2.S101 CA = 57.983(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.2181e-01 2.S101 H = 7.557(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.2042e-01 2.S101 N = 119.264(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.9659e-01 2.V102 C = 174.672(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.1782e-01 2.V102 CA = 59.277(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.6126e-01 2.V102 H = 8.94(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.3197e-01 2.V102 N = 121.707(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.0061e-01 2.Q103 C = 176.334(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.9018e-01 2.Q103 CA = 55.446(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.9942e-01 2.Q103 CB = 29.512(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.5957e-01 2.Q103 H = 7.933(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.2665e-01 2.Q103 N = 121.564(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.4193e-01 2.R104 C = 175.56(D), Expected = 176.41, Std = 2.0300, ChiSquare = 6.7542e-01 2.R104 CA = 55.37(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.4447e-01 2.R104 CB = 29.392(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.7476e-01 2.R104 H = 9.025(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.9813e-01 2.R104 N = 124.294(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.4239e-01 2.V106 C = 174.012(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.9738e-01 2.V106 CA = 61.688(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.7916e-01 2.V106 CB = 31.854(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.2457e-01 2.V106 H = 8.837(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.1426e-01 2.V106 N = 131.241(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.6089e-02 2.S111 CA = 62.119(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.0058e-01 2.S111 H = 8.654(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.2615e-01 2.S111 N = 112.22(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.4874e-01 2.L112 CA = 56.08(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.2902e-01 2.L112 H = 6.954(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.9637e-02 2.L112 N = 123.244(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.2269e-01 2.E113 C = 180.14(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.3558e-02 2.E113 CA = 58.948(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.3601e-01 2.E113 CB = 28.492(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.7748e-01 2.E113 H = 8.128(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.3207e-01 2.E113 N = 119.122(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.5644e-01 2.N114 C = 177.349(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.4546e-01 2.N114 CA = 55.472(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.0411e-01 2.N114 CB = 36.704(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.3994e-01 2.N114 H = 7.691(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.0294e-01 2.N114 N = 119.947(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.0076e-01 2.I115 C = 177.476(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.9707e-01 2.I115 CA = 66.712(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.6945e-02 2.I115 H = 7.555(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.8634e-01 2.I115 N = 125.687(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.2334e-01 2.Y116 C = 179.113(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.2065e-02 2.Y116 CA = 56.766(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.8684e-01 2.Y116 H = 8.399(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.1382e-01 2.Y116 N = 118.355(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.0622e-01 2.K117 C = 179.303(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.8302e-01 2.K117 CA = 59.506(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.4531e-01 2.K117 H = 8.526(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.7548e-01 2.K117 N = 124.28(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.9158e-01 2.E118 C = 178.796(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.2330e-01 2.E118 CA = 58.313(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.3470e-01 2.E118 H = 8.272(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.2169e-01 2.E118 N = 124.153(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.1689e-01 2.L119 CA = 59.176(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.5022e-02 2.L119 H = 8.207(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.7177e-01 2.L119 N = 122.573(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.5494e-01 2.S120 CA = 61.713(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.4821e-01 2.S120 CB = 62.556(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.0061e-01 2.S120 H = 7.826(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.4160e-01 2.S120 HA = 4.361(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.6608e-01 2.S120 HB2 = 4.175(D), Expected = 3.88, Std = 0.2500, ChiSquare = 2.3800e-01 2.S120 HB3 = 4.071(D), Expected = 3.85, Std = 0.2700, ChiSquare = 4.1306e-01 2.S120 N = 111.88(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.1130e-01 2.T121 C = 174.748(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.0592e-01 2.T121 CA = 62.271(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.8429e-01 2.T121 CB = 68.896(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.0889e-01 2.T121 H = 7.443(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.9862e-01 2.T121 HA = 4.335(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.9454e-01 2.T121 N = 112.5(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.3873e-01 2.D122 CA = 56.157(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.6989e-01 2.D122 H = 8.315(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.9312e-01 2.D122 HA = 4.39(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.3197e-01 2.D122 N = 125.124(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.4643e-01 2.I123 C = 175.776(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.6926e-01 2.I123 CA = 57.197(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.9632e-02 2.I123 H = 8.382(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.8076e-01 2.I123 N = 119.434(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.3595e-01 2.E124 C = 176.436(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.2387e-01 2.E124 CA = 58.871(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.5802e-01 2.E124 CB = 29.512(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.7217e-01 2.E124 H = 8.565(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.9041e-01 2.E124 HA = 3.98(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.1019e-01 2.E124 HB2 = 1.972(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.1920e-01 2.E124 HB3 = 1.921(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.6418e-01 2.E124 N = 127.304(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.6609e-02 2.D125 C = 174.938(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.0348e-01 2.D125 CA = 53.315(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.9819e-01 2.D125 CB = 39.498(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.9361e-01 2.D125 H = 8.314(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.9450e-01 2.D125 N = 117.208(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.7255e-01 2.F126 C = 174.291(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.7049e-01 2.F126 CA = 60.8(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.8989e-01 2.F126 CB = 39.89(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.6184e-01 2.F126 H = 7.895(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.1839e-01 2.F126 HA = 4.412(D), Expected = 4.63, Std = 0.5700, ChiSquare = 7.0212e-01 2.F126 N = 120.747(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.4336e-01 2.V127 C = 173.061(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.7803e-01 2.V127 CA = 59.734(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.3523e-01 2.V127 CB = 34.268(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.9022e-01 2.V127 H = 6.217(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.9746e-03 2.V127 HA = 3.904(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.2194e-01 2.V127 N = 127.829(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.4066e-01 2.H128 C = 175.357(D), Expected = 175.25, Std = 1.9700, ChiSquare = 9.5668e-01 2.H128 CA = 54.457(D), Expected = 56.52, Std = 2.3100, ChiSquare = 3.7182e-01 2.H128 H = 8.352(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.6918e-01 2.H128 N = 128.813(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.2563e-02 2.G130 CA = 45.094(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.4849e-01 2.G130 H = 11.026(S), Expected = 8.33, Std = 0.6500, ChiSquare = 3.3584e-05 2.G130 N = 115.387(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.3961e-01 2.H131 C = 173.086(D), Expected = 175.25, Std = 1.9700, ChiSquare = 2.7200e-01 2.H131 CA = 54.355(D), Expected = 56.52, Std = 2.3100, ChiSquare = 3.4864e-01 2.H131 CB = 31.974(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.0221e-01 2.H131 H = 7.175(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.1731e-01 2.H131 HA = 4.69(D), Expected = 4.61, Std = 0.4300, ChiSquare = 8.5241e-01 2.H131 N = 115.367(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.7981e-01 2.G132 CA = 46.337(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.6139e-01 2.G132 H = 10.068(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4987e-03 2.G132 N = 112.821(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.1552e-01 2.D133 C = 178.136(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.2120e-01 2.D133 CA = 53.366(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.1426e-01 2.D133 H = 10.971(S), Expected = 8.31, Std = 0.5800, ChiSquare = 4.4766e-06 2.D133 N = 127.727(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.6740e-02 2.L134 C = 179.037(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.0121e-01 2.L134 CA = 53.67(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5993e-01 2.L134 H = 9.669(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.6839e-02 2.L134 N = 127.627(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3922e-01 2.S135 CA = 64.327(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.7548e-03 2.S135 H = 9.269(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.3685e-02 2.S135 N = 121.904(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.1010e-01 2.G136 C = 178.06(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.5832e-02 2.G136 CA = 46.946(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.3364e-01 2.G136 H = 9.704(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.4528e-02 2.G136 N = 108.291(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.2159e-01 2.W137 C = 178.846(D), Expected = 176.12, Std = 2.0100, ChiSquare = 1.7503e-01 2.W137 CA = 57.07(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.1912e-01 2.W137 H = 7.771(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.1121e-01 2.W137 N = 121.687(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.9866e-01 2.A138 C = 181.397(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.5997e-02 2.A138 CA = 54.457(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.0595e-01 2.A138 CB = 19.305(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.7193e-01 2.A138 H = 7.832(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3966e-01 2.A138 HA = 4.639(D), Expected = 4.26, Std = 0.4400, ChiSquare = 3.8904e-01 2.A138 HB1 = 1.672(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.1554e-01 2.A138 HB2 = 1.672(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.1554e-01 2.A138 HB3 = 1.672(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.1554e-01 2.A138 N = 127.221(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.5957e-01 2.K139 C = 177.616(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.2555e-01 2.K139 CA = 58.186(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.7424e-01 2.K139 CB = 32.833(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.8073e-01 2.K139 H = 8.532(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.6868e-01 2.K139 N = 116.862(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.6662e-01 2.Q140 C = 174.9(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.6963e-01 2.Q140 CA = 56.004(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.9141e-01 2.Q140 CB = 31.577(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.8968e-01 2.Q140 H = 7.282(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.1187e-01 2.Q140 HA = 4.328(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.9513e-01 2.Q140 N = 116.057(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.8700e-01 2.G141 CA = 45.648(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.2401e-01 2.G141 H = 7.761(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.8136e-01 2.G141 N = 104.112(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.5095e-01 2.V142 C = 174.342(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.0118e-01 2.V142 CA = 60.8(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.5458e-01 2.V142 H = 7.526(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.5416e-01 2.V142 HA = 4.528(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.6006e-01 2.V142 N = 122.692(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.3246e-01 2.L143 C = 173.86(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.1392e-01 2.L143 CA = 53.949(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.3274e-01 2.L143 H = 9.713(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.2517e-02 2.L143 N = 131.773(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1028e-02 2.L144 CA = 54.051(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.6135e-01 2.L144 H = 8.774(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0264e-01 2.L144 N = 134.544(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1447e-03 2.L145 C = 175.598(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.8204e-01 2.L145 CA = 53.366(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8996e-01 2.L145 H = 7.673(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.9149e-01 2.L145 N = 128.193(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.0441e-01 2.N146 C = 172.084(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.5094e-02 2.N146 CA = 52.632(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.2911e-01 2.N146 H = 7.493(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.7880e-01 2.N146 N = 127.778(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.8125e-02 2.A147 C = 176.753(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.4309e-01 2.A147 CA = 53.087(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.7865e-01 2.A147 CB = 21.827(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.2372e-01 2.A147 H = 7.757(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.6031e-01 2.A147 HA = 4.064(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.5599e-01 2.A147 HB1 = 1.776(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0133e-01 2.A147 HB2 = 1.776(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0133e-01 2.A147 HB3 = 1.776(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0133e-01 2.A147 N = 121.392(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.0361e-01 2.V148 CA = 61.459(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.1848e-01 2.V148 H = 7.685(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.6653e-01 2.V148 N = 117.846(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.6811e-01 2.T150 C = 172.743(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.0724e-01 2.T150 CA = 59.506(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.9470e-01 2.T150 CB = 72.142(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.3894e-01 2.T150 H = 6.664(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.1024e-02 2.T150 N = 107.005(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.6465e-02 2.V151 C = 171.678(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.8011e-02 2.V151 CA = 60.571(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.0223e-01 2.V151 H = 8.663(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.7772e-01 2.V151 N = 119.299(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.8510e-01 2.R152 C = 175.662(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.1252e-01 2.R152 CA = 56.385(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.6763e-01 2.R152 CB = 31.407(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.9925e-01 2.R152 H = 7.256(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.0672e-01 2.R152 HB2 = 1.541(D), Expected = 1.79, Std = 0.2700, ChiSquare = 3.5641e-01 2.R152 HB3 = 1.476(D), Expected = 1.76, Std = 0.2800, ChiSquare = 3.1045e-01 2.R152 N = 125.71(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.8213e-01 2.A153 C = 177.831(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.6592e-01 2.A153 CA = 52.934(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.1714e-01 2.A153 CB = 19.005(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.9782e-01 2.A153 H = 8.215(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8006e-01 2.A153 HA = 4.168(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.3438e-01 2.A153 HB1 = 0.816(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9991e-02 2.A153 HB2 = 0.816(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9991e-02 2.A153 HB3 = 0.816(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9991e-02 2.A153 N = 125.733(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.7953e-01 2.H154 C = 174.596(D), Expected = 175.25, Std = 1.9700, ChiSquare = 7.3990e-01 2.H154 CA = 57.425(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.9522e-01 2.H154 H = 8.963(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.8768e-01 2.H154 N = 112.496(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.2098e-02 2.Q155 C = 173.517(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.5206e-01 2.Q155 CA = 53.137(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.0867e-01 2.Q155 CB = 28.467(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.9118e-01 2.Q155 H = 7.683(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.6273e-01 2.Q155 HA = 4.506(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.9171e-01 2.Q155 N = 121.46(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.6276e-01 2.A156 C = 178.25(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.1077e-01 2.A156 CA = 53.391(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.9912e-01 2.A156 CB = 18.24(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.7393e-01 2.A156 H = 8.407(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.3009e-01 2.A156 HA = 3.904(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.1846e-01 2.A156 HB1 = 1.189(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.3576e-01 2.A156 HB2 = 1.189(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.3576e-01 2.A156 HB3 = 1.189(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.3576e-01 2.A156 N = 129.565(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.3527e-02 2.N157 CA = 54.249(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.0608e-01 2.N157 H = 10.253(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.3934e-03 2.N157 N = 118.639(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.4244e-01 2.S158 C = 177.083(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.5215e-01 2.S158 CA = 57.374(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.1554e-01 2.S158 H = 8.567(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.2665e-01 2.S158 N = 128.645(S), Expected = 116.28, Std = 3.5200, ChiSquare = 4.4344e-04 2.H159 C = 177.4(D), Expected = 175.25, Std = 1.9700, ChiSquare = 2.7511e-01 2.H159 CA = 57.095(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.0342e-01 2.H159 H = 8.594(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.0265e-01 2.H159 N = 118.925(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.4833e-01 2.K160 C = 174.735(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.4084e-01 2.K160 CA = 56.791(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.4239e-01 2.K160 CB = 32.695(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.5744e-01 2.K160 H = 7.234(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.1109e-01 2.K160 N = 118.887(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.6614e-01 2.E161 C = 176.207(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.3386e-01 2.E161 CA = 56.979(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.7039e-01 2.E161 H = 11.178(S), Expected = 8.33, Std = 0.5900, ChiSquare = 1.3852e-06 2.E161 N = 121.426(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.2802e-01 2.R162 C = 176.055(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.6118e-01 2.R162 CA = 53.264(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.2908e-01 2.R162 H = 8.881(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.9334e-01 2.R162 N = 117.066(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.1026e-01 2.G163 CA = 45.932(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.6405e-01 2.G163 H = 7.932(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.4033e-01 2.G163 N = 109.64(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.9381e-01 2.W164 C = 178.59(D), Expected = 176.12, Std = 2.0100, ChiSquare = 2.1913e-01 2.W164 CA = 60.089(D), Expected = 57.66, Std = 2.5800, ChiSquare = 3.4646e-01 2.W164 H = 8.86(D), Expected = 8.29, Std = 0.7900, ChiSquare = 4.7059e-01 2.W164 N = 122.677(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.1148e-01 2.E165 C = 178.199(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.9553e-01 2.E165 CA = 61.459(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.7661e-02 2.E165 H = 11.038(S), Expected = 8.33, Std = 0.5900, ChiSquare = 4.4361e-06 2.E165 N = 120.047(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.5792e-01 2.Q166 C = 178.757(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.0953e-01 2.Q166 CA = 59.176(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.2332e-01 2.Q166 CB = 27.111(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.5333e-01 2.Q166 H = 7.564(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.6620e-01 2.Q166 N = 119.032(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.1162e-01 2.F167 C = 177.73(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.4572e-01 2.F167 CA = 61.942(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.3291e-01 2.F167 H = 8.15(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.7054e-01 2.F167 N = 124.007(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.9479e-01 2.T168 C = 178.732(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.7227e-02 2.T168 CA = 66.585(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.1925e-02 2.T168 CB = 69.434(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.5590e-01 2.T168 H = 10.14(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.1802e-03 2.T168 N = 112.207(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.9877e-01 2.D169 C = 178.428(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.4651e-01 2.D169 CA = 57.527(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.6225e-01 2.D169 CB = 39.292(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.2696e-01 2.D169 H = 8.746(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.5222e-01 2.D169 HA = 4.426(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.0830e-01 2.D169 N = 124.859(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.7553e-01 2.A170 C = 180.749(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.5775e-01 2.A170 CA = 55.116(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.1829e-01 2.A170 CB = 16.183(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.2239e-01 2.A170 H = 7.744(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.4725e-01 2.A170 HA = 4.219(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.2576e-01 2.A170 HB1 = 1.573(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9106e-01 2.A170 HB2 = 1.573(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9106e-01 2.A170 HB3 = 1.573(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9106e-01 2.A170 N = 126.213(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.9942e-01 2.V171 C = 176.905(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.9884e-01 2.V171 CA = 66.813(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.3065e-01 2.V171 H = 7.614(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.1300e-01 2.V171 N = 121.256(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.7962e-01 2.V172 CA = 67.676(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.9788e-02 2.V172 H = 7.9(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.6051e-01 2.V172 N = 119.934(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.9052e-01 2.S173 CA = 61.053(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.5972e-01 2.S173 CB = 62.235(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.9031e-01 2.S173 H = 8.781(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.9580e-01 2.S173 HA = 4.088(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.2709e-01 2.S173 HB2 = 3.929(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.4461e-01 2.S173 HB3 = 3.856(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.8227e-01 2.S173 N = 114.947(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.0492e-01 2.W174 C = 179.985(D), Expected = 176.12, Std = 2.0100, ChiSquare = 5.4494e-02 2.W174 CA = 63.21(D), Expected = 57.66, Std = 2.5800, ChiSquare = 3.1463e-02 2.W174 H = 8.269(D), Expected = 8.29, Std = 0.7900, ChiSquare = 9.7879e-01 2.W174 N = 123.208(D), Expected = 121.68, Std = 4.1800, ChiSquare = 7.1470e-01 2.L175 CA = 57.744(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1868e-01 2.L175 H = 8.194(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5583e-01 2.L175 N = 121.34(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.9393e-01 2.N176 C = 177.958(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.3318e-01 2.N176 CA = 55.446(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.1066e-01 2.N176 CB = 40.129(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.9450e-01 2.N176 H = 8.732(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.3380e-01 2.N176 HA = 4.194(D), Expected = 4.67, Std = 0.3600, ChiSquare = 1.8609e-01 2.N176 N = 116.087(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.8052e-01 2.Q177 C = 176.799(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.0199e-01 2.Q177 CA = 57.311(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.2915e-01 2.Q177 CB = 29.902(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.9564e-01 2.Q177 H = 7.845(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.2504e-01 2.Q177 HA = 4.078(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.6257e-01 2.Q177 HB2 = 1.867(D), Expected = 2.05, Std = 0.2500, ChiSquare = 4.6417e-01 2.Q177 HB3 = 1.809(D), Expected = 2.02, Std = 0.2800, ChiSquare = 4.5111e-01 2.Q177 N = 114.55(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.3799e-01 2.N178 C = 174.012(D), Expected = 175.27, Std = 1.7900, ChiSquare = 4.8218e-01 2.N178 CA = 54.076(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.7556e-01 2.N178 CB = 38.8(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.4810e-01 2.N178 H = 7.868(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.5373e-01 2.N178 HA = 4.361(D), Expected = 4.67, Std = 0.3600, ChiSquare = 3.9071e-01 2.N178 HB2 = 1.87(D), Expected = 2.81, Std = 0.3100, ChiSquare = 2.4273e-03 2.N178 HB3 = 1.819(D), Expected = 2.75, Std = 0.3300, ChiSquare = 4.7843e-03 2.N178 N = 114.537(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.7568e-01 2.S179 C = 171.779(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.8587e-02 2.S179 CA = 57.552(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.7258e-01 2.S179 CB = 63.796(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.9784e-01 2.S179 H = 7.567(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.2686e-01 2.S179 HA = 4.668(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.3835e-01 2.S179 HB2 = 3.885(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.8404e-01 2.S179 HB3 = 3.784(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.0689e-01 2.S179 N = 117.124(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.1051e-01 2.N180 C = 173.67(D), Expected = 175.27, Std = 1.7900, ChiSquare = 3.7140e-01 2.N180 CA = 53.594(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.7709e-01 2.N180 CB = 42.402(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.8060e-02 2.N180 H = 8.653(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.1931e-01 2.N180 HA = 4.499(D), Expected = 4.67, Std = 0.3600, ChiSquare = 6.3479e-01 2.N180 HB2 = 2.527(D), Expected = 2.81, Std = 0.3100, ChiSquare = 3.6129e-01 2.N180 HB3 = 2.426(D), Expected = 2.75, Std = 0.3300, ChiSquare = 3.2619e-01 2.N180 N = 118.48(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.1109e-01 2.G181 CA = 47.048(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.0510e-01 2.G181 H = 8.07(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.8916e-01 2.G181 N = 114.469(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.1496e-01 2.L182 C = 176.271(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.1651e-01 2.L182 CA = 55.015(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.7638e-01 2.L182 CB = 42.409(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.5800e-01 2.L182 H = 10.556(S), Expected = 8.23, Std = 0.6500, ChiSquare = 3.4562e-04 2.L182 N = 124.136(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.5950e-01 2.V183 C = 174.824(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.7525e-01 2.V183 CA = 61.18(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.4692e-01 2.V183 H = 7.416(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.9207e-01 2.V183 N = 118.959(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.3095e-01 2.F184 C = 173.149(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.5378e-01 2.F184 CA = 56.08(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.3645e-01 2.F184 H = 9.345(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.7129e-01 2.F184 N = 127.18(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.0739e-01 2.L185 C = 175.129(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.4727e-01 2.L185 CA = 53.163(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4870e-01 2.L185 H = 8.714(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.5650e-01 2.L185 N = 124.621(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.7898e-01 2.L186 C = 174.203(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.5926e-01 2.L186 CA = 52.478(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.4018e-01 2.L186 H = 8.707(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.6304e-01 2.L186 N = 123.465(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.8068e-01 2.W187 C = 177.07(D), Expected = 176.12, Std = 2.0100, ChiSquare = 6.3647e-01 2.W187 CA = 52.499(D), Expected = 57.66, Std = 2.5800, ChiSquare = 4.5458e-02 2.W187 H = 9.741(D), Expected = 8.29, Std = 0.7900, ChiSquare = 6.6253e-02 2.W187 N = 130.723(D), Expected = 121.68, Std = 4.1800, ChiSquare = 3.0511e-02 2.G188 C = 173.061(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.6696e-01 2.G188 CA = 44.303(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.3460e-01 2.G188 H = 9.205(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.7825e-01 2.G188 N = 114.038(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.5903e-01 2.S189 CA = 61.688(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.5162e-01 2.S189 H = 8.661(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.1843e-01 2.S189 N = 116.463(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.5854e-01 2.Y190 CA = 62.17(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.0749e-01 2.Y190 H = 8.478(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.2865e-01 2.Y190 N = 126.539(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.5183e-01 2.A191 C = 179.189(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.9633e-01 2.A191 CA = 54.685(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.3521e-01 2.A191 CB = 18.705(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.6763e-01 2.A191 H = 9.213(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.1347e-02 2.A191 HB1 = 1.462(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.6664e-01 2.A191 HB2 = 1.462(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.6664e-01 2.A191 HB3 = 1.462(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.6664e-01 2.A191 N = 124.971(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.2285e-01 2.Q192 C = 178.846(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.9343e-01 2.Q192 CA = 58.592(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.4473e-01 2.Q192 H = 7.865(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.4738e-01 2.Q192 HA = 3.784(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.6936e-01 2.Q192 N = 116.108(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.9346e-01 2.K193 C = 179.811(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.1285e-01 2.K193 CA = 59.049(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.4004e-01 2.K193 CB = 31.158(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.5922e-01 2.K193 H = 8.005(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.5783e-01 2.K193 N = 122.294(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.4142e-01 2.K194 C = 177.857(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.4286e-01 2.K194 CA = 57.983(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.3868e-01 2.K194 H = 7.849(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.6981e-01 2.K194 N = 123.343(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.4304e-01 2.G195 C = 174.416(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.7149e-01 2.G195 CA = 43.978(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.0589e-01 2.G195 H = 7.869(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.7818e-01 2.G195 N = 105.14(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.4178e-01 2.S196 CA = 61.459(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.8577e-01 2.S196 CB = 62.855(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.2314e-01 2.S196 H = 7.376(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.2547e-01 2.S196 N = 117.955(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.3418e-01 2.A197 C = 176.854(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.7744e-01 2.A197 CA = 51.031(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.8681e-01 2.A197 CB = 18.479(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.7169e-01 2.A197 H = 8.287(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8471e-01 2.A197 HA = 4.371(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.0083e-01 2.A197 HB1 = 1.203(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.7181e-01 2.A197 HB2 = 1.203(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.7181e-01 2.A197 HB3 = 1.203(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.7181e-01 2.A197 N = 123.933(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.4259e-01 2.I198 C = 175.979(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.4643e-01 2.I198 CA = 61.053(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.3536e-01 2.I198 H = 6.736(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.3172e-02 2.I198 HA = 4.357(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.5195e-01 2.I198 HB = 1.099(D), Expected = 1.78, Std = 0.2900, ChiSquare = 1.8861e-02 2.I198 N = 121.175(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.4691e-01 2.D199 C = 176.258(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.3533e-01 2.D199 CA = 54.178(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.0087e-01 2.D199 H = 9.037(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.1004e-01 2.D199 N = 129.571(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.0825e-02 2.R200 CA = 59.836(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.8442e-01 2.R200 H = 7.813(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.8393e-01 2.R200 HA = 4.088(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.4489e-01 2.R200 N = 113.236(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.9837e-02 2.K201 C = 173.847(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.6256e-01 2.K201 CA = 53.213(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.9388e-02 2.K201 H = 9.791(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.6229e-03 2.K201 N = 123.168(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.7425e-01 2.R202 C = 174.862(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.4573e-01 2.R202 CA = 56.512(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.1107e-01 2.R202 CB = 33.132(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.8386e-01 2.R202 H = 7.236(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.9784e-02 2.R202 N = 119.231(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.6985e-01 2.H203 C = 173.023(D), Expected = 175.25, Std = 1.9700, ChiSquare = 2.5828e-01 2.H203 CA = 53.975(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.7058e-01 2.H203 CB = 34.627(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.4063e-02 2.H203 H = 7.751(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.7207e-01 2.H203 HA = 4.68(D), Expected = 4.61, Std = 0.4300, ChiSquare = 8.7068e-01 2.H203 N = 119.439(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.4997e-01 2.H204 C = 174.444(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.8244e-01 2.H204 CA = 54.127(D), Expected = 56.52, Std = 2.3100, ChiSquare = 3.0023e-01 2.H204 CB = 32.534(D), Expected = 30.24, Std = 2.0700, ChiSquare = 2.6777e-01 2.H204 H = 9.063(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.2617e-01 2.H204 HA = 4.868(D), Expected = 4.61, Std = 0.4300, ChiSquare = 5.4851e-01 2.H204 N = 119.28(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.1836e-01 2.V205 C = 174.672(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.1782e-01 2.V205 CA = 61.459(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.1848e-01 2.V205 CB = 33.192(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.9633e-01 2.V205 H = 8.862(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.9325e-01 2.V205 HA = 4.752(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.3256e-01 2.V205 N = 124.416(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.7055e-01 2.L206 C = 174.786(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.6565e-01 2.L206 CA = 53.366(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8996e-01 2.L206 H = 9.044(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.1046e-01 2.L206 HB2 = 1.885(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.1862e-01 2.L206 HB3 = 1.848(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.6224e-01 2.L206 N = 131.863(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.0321e-02 2.Q207 C = 175.383(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.3451e-01 2.Q207 CA = 53.645(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.7168e-01 2.Q207 CB = 32.354(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.2130e-02 2.Q207 H = 8.702(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.1396e-01 2.Q207 HA = 5.807(S), Expected = 4.27, Std = 0.4400, ChiSquare = 4.7730e-04 2.Q207 N = 119.955(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.8559e-01 2.T208 C = 172.261(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.9536e-01 2.T208 CA = 60.368(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.7457e-01 2.T208 H = 8.423(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.6787e-01 2.T208 N = 116.594(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.0479e-01 2.A209 C = 173.467(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.4845e-02 2.A209 CA = 51.082(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.9862e-01 2.A209 CB = 20.214(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.1059e-01 2.A209 H = 7.793(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.9756e-01 2.A209 HB1 = 1.211(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.9292e-01 2.A209 HB2 = 1.211(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.9292e-01 2.A209 HB3 = 1.211(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.9292e-01 2.A209 N = 125.526(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.1661e-01 2.H210 C = 180.838(D), Expected = 175.25, Std = 1.9700, ChiSquare = 4.5604e-03 2.H210 CA = 56.004(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.2324e-01 2.H210 H = 8.289(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.4256e-01 2.H210 N = 118.735(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.1130e-01 2.S212 C = 173.416(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.8393e-01 2.S212 CA = 56.994(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.0438e-01 2.S212 CB = 62.775(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.8858e-01 2.S212 H = 10.266(S), Expected = 8.28, Std = 0.5900, ChiSquare = 7.6239e-04 2.S212 HA = 4.509(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.4220e-01 2.S212 N = 122.64(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.0791e-02 2.L214 C = 177.476(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.0610e-01 2.L214 CA = 56.766(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.9056e-01 2.L214 CB = 41.624(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.1519e-01 2.L214 H = 7.833(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.4135e-01 2.L214 HB2 = 1.623(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.6950e-01 2.L214 HB3 = 1.531(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.7562e-01 2.L214 N = 115.302(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.2658e-02 2.S215 C = 175.877(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.6489e-01 2.S215 CA = 58.009(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.3124e-01 2.S215 CB = 65.357(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.9279e-01 2.S215 H = 7.972(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.0165e-01 2.S215 HB2 = 3.528(D), Expected = 3.88, Std = 0.2500, ChiSquare = 1.5913e-01 2.S215 HB3 = 3.457(D), Expected = 3.85, Std = 0.2700, ChiSquare = 1.4552e-01 2.S215 N = 111.232(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.5155e-01 2.V216 C = 175.078(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.7544e-01 2.V216 CA = 64.327(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.2067e-01 2.V216 H = 7.939(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.0036e-01 2.V216 N = 126.394(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.4716e-01 2.Y217 C = 175.941(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.8573e-01 2.Y217 CA = 59.379(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.1876e-01 2.Y217 CB = 36.302(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.6235e-01 2.Y217 H = 7.66(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.6594e-01 2.Y217 HA = 4.666(D), Expected = 4.63, Std = 0.5600, ChiSquare = 9.4874e-01 2.Y217 N = 118.042(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.5519e-01 2.R218 C = 176.131(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.9068e-01 2.R218 CA = 54.786(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.9041e-01 2.R218 H = 8.141(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.7107e-01 2.R218 N = 121.658(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.1564e-01 2.G219 C = 173.53(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.5648e-01 2.G219 CA = 45.399(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7083e-01 2.G219 H = 7.401(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.5294e-01 2.G219 N = 107.075(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.0251e-01 2.F220 C = 177.413(D), Expected = 175.42, Std = 1.9900, ChiSquare = 3.1658e-01 2.F220 CA = 61.662(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.6339e-01 2.F220 H = 6.972(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.3883e-02 2.F220 N = 122.468(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.2926e-01 2.F221 C = 178.098(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.7839e-01 2.F221 CA = 55.015(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.3302e-01 2.F221 CB = 36.207(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.0289e-02 2.F221 H = 7.155(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.4207e-02 2.F221 N = 117.869(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.3693e-01 2.G222 CA = 44.561(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.5599e-01 2.G222 H = 11.089(S), Expected = 8.33, Std = 0.6500, ChiSquare = 2.1897e-05 2.G222 N = 118.569(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.1478e-02 2.C223 C = 174.9(D), Expected = 174.95, Std = 2.0700, ChiSquare = 9.8073e-01 2.C223 CA = 59.273(D), Expected = 58.30, Std = 3.3300, ChiSquare = 7.7014e-01 2.C223 H = 7.82(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.9491e-01 2.C223 N = 120.709(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.0752e-01 2.R224 C = 176.309(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.6032e-01 2.R224 CA = 58.009(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.9171e-01 2.R224 H = 9.055(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.8153e-01 2.R224 N = 119.827(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.9147e-01 2.H225 C = 176.677(D), Expected = 175.25, Std = 1.9700, ChiSquare = 4.6884e-01 2.H225 CA = 58.034(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.1220e-01 2.H225 CB = 32.154(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.5515e-01 2.H225 H = 7.103(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.4513e-02 2.H225 HA = 3.912(D), Expected = 4.61, Std = 0.4300, ChiSquare = 1.0453e-01 2.H225 N = 113.392(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.1537e-01 2.F226 C = 178.199(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.6257e-01 2.F226 CA = 61.256(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.1653e-01 2.F226 CB = 35.883(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.9406e-02 2.F226 H = 7.398(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.8151e-01 2.F226 N = 124.361(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.4946e-01 2.S227 CA = 61.079(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.5445e-01 2.S227 H = 10.196(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.1644e-03 2.S227 N = 123.241(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.7979e-02 2.K228 C = 178.948(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.4850e-01 2.K228 CA = 59.404(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.6466e-01 2.K228 CB = 32.594(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.1232e-01 2.K228 H = 8.096(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.7551e-01 2.K228 HA = 4.035(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.9328e-01 2.K228 N = 127.208(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.0238e-01 2.T229 CA = 68.158(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.1867e-02 2.T229 H = 7.994(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.9153e-01 2.T229 N = 117.927(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.9765e-01 2.N230 C = 177.78(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.6084e-01 2.N230 CA = 55.116(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.0186e-01 2.N230 CB = 37.078(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.4016e-01 2.N230 H = 7.164(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.1948e-02 2.N230 HA = 4.738(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.5018e-01 2.N230 N = 120.841(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.3536e-01 2.E231 C = 178.884(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.0169e-01 2.E231 CA = 59.328(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.3667e-01 2.E231 CB = 29.244(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.5607e-01 2.E231 H = 8.119(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.2062e-01 2.E231 HA = 4.038(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.0510e-01 2.E231 HB2 = 2.172(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.6918e-01 2.E231 HB3 = 2.092(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.5742e-01 2.E231 N = 124.327(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.9332e-01 2.L232 CA = 57.501(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.7718e-01 2.L232 H = 7.959(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.7673e-01 2.L232 N = 121.423(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.1078e-01 2.L233 C = 179.341(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.3508e-01 2.L233 CA = 57.933(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7752e-01 2.L233 H = 8.68(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.8874e-01 2.L233 N = 121.751(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.7770e-01 2.Q234 C = 180.343(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.8621e-02 2.Q234 CA = 59.252(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.1011e-01 2.Q234 CB = 28.527(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.1564e-01 2.Q234 H = 8.132(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.8143e-01 2.Q234 HA = 4.233(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.3298e-01 2.Q234 HB2 = 2.153(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.8034e-01 2.Q234 HB3 = 2.095(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.8881e-01 2.Q234 N = 119.618(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3977e-01 2.K235 C = 177.768(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.7275e-01 2.K235 CA = 58.897(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.7616e-01 2.K235 CB = 32.154(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.2086e-01 2.K235 H = 8.079(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.5323e-01 2.K235 HA = 4.081(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.6753e-01 2.K235 HB2 = 1.962(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.6661e-01 2.K235 HB3 = 1.904(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.4358e-01 2.K235 N = 122.072(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.8632e-01 2.S236 C = 173.974(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.0723e-01 2.S236 CA = 58.085(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.5902e-01 2.S236 CB = 63.692(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.4183e-01 2.S236 H = 7.541(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.1037e-01 2.S236 HA = 4.654(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.6356e-01 2.S236 N = 113.8(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.8109e-01 2.G237 C = 174.152(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.8076e-01 2.G237 CA = 45.703(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.9222e-01 2.G237 H = 7.903(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.1123e-01 2.G237 HA2 = 3.82(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.8518e-01 2.G237 HA3 = 3.762(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.0917e-01 2.G237 N = 110.513(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.2756e-01 2.K238 C = 175.141(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.5356e-01 2.K238 CA = 54.152(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.0344e-01 2.K238 CB = 32.594(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.1232e-01 2.K238 H = 7.992(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.4140e-01 2.K238 HA = 4.47(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.4944e-01 2.K238 N = 120.797(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.4650e-01 2.K239 C = 174.367(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.5575e-01 2.K239 CA = 53.949(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.7254e-01 2.K239 CB = 32.515(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.7722e-01 2.K239 H = 8.255(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.1373e-01 2.K239 N = 123.837(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.5975e-01 2.D242 C = 177.489(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.3375e-01 2.D242 CA = 51.742(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.4644e-01 2.D242 H = 9.242(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.0808e-01 2.D242 HA = 4.849(D), Expected = 4.59, Std = 0.3200, ChiSquare = 4.1830e-01 2.D242 N = 127.815(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.3423e-02 2.W243 C = 176.861(D), Expected = 176.12, Std = 2.0100, ChiSquare = 7.1238e-01 2.W243 CA = 58.288(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.0769e-01 2.W243 CB = 30.74(D), Expected = 30.01, Std = 2.0100, ChiSquare = 7.1647e-01 2.W243 H = 7.836(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.6551e-01 2.W243 N = 127.739(D), Expected = 121.68, Std = 4.1800, ChiSquare = 1.4719e-01 2.K244 C = 176.156(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.0878e-01 2.K244 CA = 56.537(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.5109e-01 2.K244 CB = 31.996(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.5555e-01 2.K244 H = 8.218(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.6278e-01 2.K244 N = 113.366(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.1530e-02 2.E245 C = 171.64(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.3172e-03 2.E245 CA = 56.004(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.2891e-01 2.E245 CB = 27.689(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.7720e-01 2.E245 H = 7.49(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.5452e-01 2.E245 HA = 4.252(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.9611e-01 2.E245 HB2 = 1.674(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.9431e-02 2.E245 HB3 = 1.602(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.1612e-02 2.E245 N = 125.571(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.5903e-01 2.L246 CA = 54.964(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.5810e-01 2.L246 H = 7.203(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.1411e-01 2.L246 N = 131.641(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.2143e-02