Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.08 C 0.02 L 0.01 HN Overlap>> 1.K147 1.E207 1.K123 1.K147 1.E207 1.K123 C Shift Assignments>> C :: 177.775 CA :: 52.680 CB :: 19.541 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.213 HA :: 4.370 HB1 :: 1.401 HB2 :: 1.401 HB3 :: 1.401 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.313 Ave N Shift Values>> N :: 123.23(3.54) 1.M2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.34 A 0.14 C Shift Assignments>> C :: 176.122 CA :: 55.441 CB :: 33.176 CG :: 32.088 CE :: 17.117 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 :: 8.470 HA :: 4.487 HB2 :: 2.105 HB3 :: 2.029 HG2 :: 2.030 HG3 :: 2.619 HE1 :: 2.095 HE2 :: 2.095 HE3 :: 2.095 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 :: 119.801 Ave N Shift Values>> N :: 120.09(3.57) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.12 C 0.02 C Shift Assignments>> C :: 177.851 CA :: 52.961 CB :: 19.246 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.417 HA :: 4.348 HB1 :: 1.428 HB2 :: 1.428 HB3 :: 1.428 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.669 Ave N Shift Values>> N :: 123.23(3.54) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.038 CA :: 58.532 CB :: 63.979 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.365 HA :: 4.454 HB2 :: 3.968 HB3 :: 3.897 HG :: 4.731 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.009 Ave N Shift Values>> N :: 116.28(3.52) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.36 I 0.06 K 0.06 M 0.05 Q 0.03 C Shift Assignments>> C :: 177.117 CA :: 57.586 CB :: 29.954 CG :: 36.487 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 :: 8.535 HA :: 4.271 HB2 :: 2.025 HB3 :: 2.110 HG2 :: 2.109 HG3 :: 2.317 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 :: 122.701 Ave N Shift Values>> N :: 120.67(3.48) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.32 R 0.04 G 0.01 HN Overlap>> 1.R195 1.R195 C Shift Assignments>> C :: 177.668 CA :: 56.054 CB :: 42.329 CG :: 27.074 CD1 :: 23.671 CD2 :: 24.899 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 :: 8.094 HA :: 4.294 HB2 :: 1.607 HB3 :: 1.671 HG :: 1.648 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 HD21 :: 0.939 HD22 :: 0.939 HD23 :: 0.939 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 :: 121.619 Ave N Shift Values>> N :: 121.86(3.9) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.21 F 0.13 K 0.11 Y 0.1 N 0.07 C 0.06 R 0.01 C Shift Assignments>> C :: 177.682 CA :: 55.196 CB :: 41.042 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 :: 8.174 HA :: 4.609 HB2 :: 2.783 HB3 :: 2.752 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 :: 120.935 Ave N Shift Values>> N :: 120.65(3.86) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.38 R 0.05 G 0.01 C Shift Assignments>> C :: 179.315 CA :: 57.129 CB :: 42.177 CG :: 27.117 CD1 :: 23.486 CD2 :: 25.096 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 :: 8.237 HA :: 4.249 HB2 :: 1.635 HB3 :: 1.836 HG :: 1.736 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 HD21 :: 0.901 HD22 :: 0.901 HD23 :: 0.901 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 :: 122.609 Ave N Shift Values>> N :: 121.86(3.9) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.11 K 0.07 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.425 CA :: 58.456 CB :: 29.571 CG :: 36.380 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 :: 8.317 HA :: 4.254 HB2 :: 2.194 HB3 :: 2.354 HG2 :: 2.187 HG3 :: 2.385 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 :: 119.864 Ave N Shift Values>> N :: 120.67(3.48) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.41 R 0.15 HN Overlap>> 1.F200 1.V66 1.F200 1.V66 C Shift Assignments>> C :: 178.885 CA :: 58.273 CB :: 32.189 CG :: 24.980 CD :: 28.960 CE :: 42.229 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 :: 8.192 HA :: 4.244 HB2 :: 1.917 HB3 :: 1.915 HG2 :: 1.489 HG3 :: 1.551 HD2 :: 1.551 HD3 :: 1.713 HE2 :: 2.990 HE3 :: 2.990 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 :: 121.193 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 175.322 CA :: 47.059 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.513 HA2 :: 4.022 HA3 :: 4.194 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.414 Ave N Shift Values>> N :: 109.67(3.87) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.4 R 0.01 HN Overlap>> 1.L138 1.L138 C Shift Assignments>> C :: 179.418 CA :: 57.970 CB :: 41.823 CG :: 26.905 CD1 :: 24.774 CD2 :: 24.774 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 :: 7.947 HA :: 4.329 HB2 :: 1.782 HB3 :: 1.945 HG :: 1.773 HD11 :: 0.678 HD12 :: 0.678 HD13 :: 0.678 HD21 :: 0.909 HD22 :: 0.909 HD23 :: 0.909 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 :: 122.048 Ave N Shift Values>> N :: 121.86(3.9) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.13 K 0.07 Q 0.03 M 0.02 HN Overlap>> 1.A193 1.A193 1.L19 1.L19 C Shift Assignments>> C :: 178.925 CA :: 58.700 CB :: 29.469 CG :: 36.351 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 :: 8.151 HA :: 4.179 HB2 :: 2.109 HB3 :: 2.108 HG2 :: 2.284 HG3 :: 2.341 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 :: 120.323 Ave N Shift Values>> N :: 120.67(3.48) 1.M14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.44 A 0.03 HN Overlap>> 1.E206 1.Q57 1.E206 1.Q57 C Shift Assignments>> C :: 178.800 CA :: 57.026 CB :: 30.371 CG :: 32.197 CE :: 16.442 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 :: 8.325 HA :: 4.379 HB2 :: 1.221 HB3 :: 1.853 HG2 :: 2.300 HG3 :: 2.348 HE1 :: 2.307 HE2 :: 2.307 HE3 :: 2.307 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 :: 119.611 Ave N Shift Values>> N :: 120.09(3.57) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.44 R 0.01 C Shift Assignments>> C :: 177.504 CA :: 61.355 CB :: 31.356 CG :: 30.003 CD :: 44.518 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 :: 8.578 HA :: 3.765 HB2 :: 2.031 HB3 :: 2.356 HG3 :: 0.648 HD2 :: 3.329 HD3 :: 3.563 HE :: 7.706 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 :: 119.547 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.K16 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.61 R 0.35 G 0.01 K 0.01 C Shift Assignments>> C :: 178.167 CA :: 60.002 CB :: 31.187 CG :: 21.929 CD :: 26.715 CE :: 42.186 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 :: 7.376 HA :: 2.785(S) HB3 :: 1.551 HG2 :: 0.726 HG3 :: 0.920 HD2 :: 0.966 HD3 :: 1.417 HE2 :: 2.638 HE3 :: 2.990 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 :: 118.495 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE3 : 0.9935) 1.W17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.41 C Shift Assignments>> C :: 179.832 CA :: 60.909 CB :: 28.592 CD1 :: 127.257 CE3 :: 120.893 CZ2 :: 114.679 CZ3 :: 121.848 CH2 :: 124.559 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 :: 8.021 HA :: 4.267 HB2 :: 3.320 HB3 :: 3.556 HD1 :: 7.205 HE1 :: 10.145 HE3 :: 7.581 HZ2 :: 7.463 HZ3 :: 7.102 HH2 :: 7.206 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 :: 121.129 NE1 :: 129.581 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> 1.L23 1.L23 C Shift Assignments>> C :: 179.887 CA :: 66.505 CB :: 31.900 CG1 :: 22.076 CG2 :: 23.604 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 :: 8.488 HA :: 3.493 HB :: 1.944 HG11 :: 0.910 HG12 :: 0.910 HG13 :: 0.910 HG21 :: 1.152 HG22 :: 1.152 HG23 :: 1.152 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 :: 121.007 Ave N Shift Values>> N :: 121.14(4.54) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.45 R 0.02 HN Overlap>> 1.A193 1.E13 1.A193 1.E13 C Shift Assignments>> C :: 178.572 CA :: 58.019 CB :: 41.889 CG :: 28.165 CD1 :: 24.394 CD2 :: 24.394 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 :: 8.155 HA :: 4.022 HB2 :: 1.414 HB3 :: 1.548 HG :: 0.628 HD11 :: 1.094 HD12 :: 1.094 HD13 :: 1.094 HD21 :: 0.617 HD22 :: 0.617 HD23 :: 0.617 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 :: 120.310 Ave N Shift Values>> N :: 121.86(3.9) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.326 CA :: 62.435 CB :: 62.558 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.860 HA :: 4.037 HB2 :: 3.795 HB3 :: 3.901 HG :: 4.268 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 :: 117.181 Ave N Shift Values>> N :: 116.28(3.52) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 177.055 CA :: 47.018 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.728 HA2 :: 3.891 HA3 :: 3.892 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.128 Ave N Shift Values>> N :: 109.67(3.87) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 178.258 CA :: 65.480 CB :: 38.112 CG1 :: 29.448 CG2 :: 16.803 CD1 :: 15.293 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 :: 8.024 HA :: 3.951 HB :: 2.203 HG12 :: 1.230 HG13 :: 1.997 HG21 :: 1.141 HG22 :: 1.141 HG23 :: 1.141 HD11 :: 1.070 HD12 :: 1.070 HD13 :: 1.070 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 :: 125.080 Ave N Shift Values>> N :: 121.46(4.28) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.43 R 0.01 G 0.01 HN Overlap>> 1.V18 1.V18 C Shift Assignments>> C :: 178.466 CA :: 59.002 CB :: 42.088 CG :: 26.620 CD1 :: 24.555 CD2 :: 24.555 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 :: 8.441 HA :: 4.086 HB2 :: 1.752 HB3 :: 2.006 HG :: 0.555 HD11 :: 0.680 HD12 :: 0.680 HD13 :: 0.680 HD21 :: 0.680 HD22 :: 0.680 HD23 :: 0.680 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 :: 120.976 Ave N Shift Values>> N :: 121.86(3.9) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.36 I 0.04 C 0.03 C Shift Assignments>> C :: 181.077 CA :: 55.351 CB :: 18.199 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.798 HA :: 4.364 HB1 :: 1.572 HB2 :: 1.572 HB3 :: 1.572 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.496 Ave N Shift Values>> N :: 123.23(3.54) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.163 CA :: 61.530 CB :: 62.750 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.283 HA :: 4.357 HB2 :: 4.015 HB3 :: 4.088 HG :: 7.623 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 :: 114.149 Ave N Shift Values>> N :: 116.28(3.52) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.37 I 0.1 M 0.04 K 0.02 Q 0.01 C Shift Assignments>> C :: 178.217 CA :: 58.988 CB :: 30.451 CG :: 36.831 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 :: 9.219 HA :: 4.518 HB2 :: 2.526 HB3 :: 2.607 HG2 :: 2.613 HG3 :: 2.701 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 :: 126.678 Ave N Shift Values>> N :: 120.67(3.48) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.29 E 0.26 K 0.03 Q 0.01 HN Overlap>> 1.N153 1.N153 C Shift Assignments>> C :: 179.897 CA :: 60.235 CB :: 29.191 CG :: 36.606 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 :: 8.580 HA :: 3.578 HB2 :: 2.161 HB3 :: 2.343 HG2 :: 2.110 HG3 :: 2.437 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 :: 120.452 Ave N Shift Values>> N :: 120.67(3.48) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.885 CA :: 66.366 CB :: 68.661 CG2 :: 22.299 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 :: 7.628 HA :: 3.783 HB :: 4.211 HG1 :: 4.351 HG21 :: 1.151 HG22 :: 1.151 HG23 :: 1.151 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 :: 116.222 Ave N Shift Values>> N :: 115.42(4.75) 1.Y29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 177.520 CA :: 60.219 CB :: 38.297 CD1 :: 131.844 CD2 :: 133.099 CE1 :: 118.193 CE2 :: 118.160 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 :: 8.196 HA :: 4.649 HB2 :: 3.011 HB3 :: 3.208 HD1 :: 6.893 HD2 :: 7.045 HE1 :: 6.754 HE2 :: 6.752 HH :: 9.166 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.056 Ave N Shift Values>> N :: 120.52(4.2) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.47 R 0.02 C Shift Assignments>> C :: 179.119 CA :: 58.507 CB :: 41.606 CG :: 27.553 CD1 :: 24.638 CD2 :: 24.953 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 :: 9.176 HA :: 3.736 HB2 :: 1.342 HB3 :: 1.830 HG :: 1.655 HD11 :: 0.487 HD12 :: 0.487 HD13 :: 0.487 HD21 :: 0.527 HD22 :: 0.527 HD23 :: 0.527 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.024 Ave N Shift Values>> N :: 121.86(3.9) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.437 CA :: 61.704 CB :: 62.484 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.618 HA :: 4.317 HB2 :: 3.942 HB3 :: 3.945 HG :: 8.194 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 :: 114.894 Ave N Shift Values>> N :: 116.28(3.52) 1.H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 H 0.32 W 0.3 C Shift Assignments>> C :: 177.661 CA :: 59.060 CB :: 30.470 CD2 :: 118.135 CE1 :: 138.111 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.856 HA :: 4.601 HB2 :: 2.999 HB3 :: 3.556 HD1 :: 6.980 HD2 :: 7.128 HE1 :: 7.448 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 :: 124.612 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 L 0.19 G 0.07 R 0.06 A 0.02 HN Overlap>> 1.Q191 1.Q191 C Shift Assignments>> C :: 179.210 CA :: 58.021 CB :: 42.833 CG :: 25.744 CD1 :: 21.297 CD2 :: 25.726 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 :: 8.345 HA :: 3.988 HB2 :: 1.340 HB3 :: 2.036 HG :: 1.051 HD11 :: 0.578 HD12 :: 0.578 HD13 :: 0.578 HD21 :: 0.258 HD22 :: 0.258 HD23 :: 0.258 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 :: 118.445 Ave N Shift Values>> N :: 121.86(3.9) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.34 I 0.15 K 0.05 Q 0.02 M 0.02 C Shift Assignments>> C :: 178.339 CA :: 59.707 CB :: 29.849 CG :: 36.288 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 :: 8.873 HA :: 3.587 HB2 :: 2.056 HB3 :: 2.218 HG2 :: 2.049 HG3 :: 2.365 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.616 Ave N Shift Values>> N :: 120.67(3.48) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.45 C 0.02 I 0.02 HN Overlap>> 1.I134 1.Q58 1.I134 1.Q58 C Shift Assignments>> C :: 178.853 CA :: 54.865 CB :: 18.375 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.697 HA :: 4.076 HB1 :: 1.529 HB2 :: 1.529 HB3 :: 1.529 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.401 Ave N Shift Values>> N :: 123.23(3.54) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.33 G 0.25 C Shift Assignments>> C :: 176.377 CA :: 57.057 CB :: 44.023 CG :: 25.009 CD1 :: 25.009 CD2 :: 25.009 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 :: 7.403 HA :: 4.242 HB2 :: 1.732 HB3 :: 2.137 HG :: 1.872 HD11 :: 0.952 HD12 :: 0.952 HD13 :: 0.952 HD21 :: 0.955 HD22 :: 0.955 HD23 :: 0.955 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 :: 116.023 Ave N Shift Values>> N :: 121.86(3.9) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.32 G 0.05 R 0.04 C Shift Assignments>> C :: 180.511 CA :: 56.589 CB :: 43.053 CG :: 26.618 CD1 :: 24.985 CD2 :: 24.810 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 :: 7.774 HA :: 3.979 HB2 :: 1.349 HB3 :: 1.593 HG :: 0.463 HD11 :: 0.634 HD12 :: 0.634 HD13 :: 0.634 HD21 :: 0.458 HD22 :: 0.458 HD23 :: 0.458 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.902 Ave N Shift Values>> N :: 121.86(3.9) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 L 0.27 C Shift Assignments>> C :: 176.822 CA :: 60.029 CB :: 39.429 CG :: 26.941 CD1 :: 23.733 CD2 :: 23.816 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 :: 7.908 HA :: 4.129 HB2 :: 1.657 HB3 :: 1.943 HG :: 1.829 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.947 HD22 :: 0.947 HD23 :: 0.947 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 :: 121.522 Ave N Shift Values>> N :: 121.86(3.9) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 176.955 CA :: 64.467 CB :: 31.477 CG :: 27.610 CD :: 50.698 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 :: 4.457 HB2 :: 1.700 HB3 :: 2.249 HG2 :: 1.950 HG3 :: 1.950 HD2 :: 3.581 HD3 :: 3.932 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.M40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 M 0.26 C Shift Assignments>> C :: 177.307 CA :: 61.019 CB :: 32.779 CG :: 32.871 CE :: 17.314 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 :: 7.472 HA :: 3.258 HB2 :: 1.368 HB3 :: 1.773 HG2 :: 1.372 HG3 :: 2.179 HE1 :: 2.165 HE2 :: 2.165 HE3 :: 2.165 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.386 Ave N Shift Values>> N :: 120.09(3.57) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 R 0.12 G 0.02 L 0.01 C Shift Assignments>> C :: 176.849 CA :: 61.905 CB :: 29.498 CG :: 25.572 CD :: 25.565 CE :: 42.163 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 :: 7.789 HA :: 4.165 HB2 :: 1.969 HB3 :: 1.973 HG2 :: 1.554 HG3 :: 1.553 HD2 :: 1.352 HD3 :: 1.689 HE2 :: 2.983 HE3 :: 2.983 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 :: 116.439 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 180.728 CA :: 65.496 CB :: 30.700 CG :: 27.790 CD :: 50.100 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 :: 4.454 HB2 :: 1.934 HB3 :: 2.294 HG2 :: 2.049 HG3 :: 2.216 HD2 :: 3.537 HD3 :: 3.998 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.44 HN Overlap>> 1.T180 1.T180 C Shift Assignments>> C :: 179.897 CA :: 58.287 CB :: 41.857 CG :: 26.974 CD1 :: 23.444 CD2 :: 23.444 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 :: 7.724 HA :: 4.162 HB2 :: 0.717 HB3 :: 1.715 HG :: 0.973 HD11 :: 0.702 HD12 :: 0.702 HD13 :: 0.702 HD21 :: 0.980 HD22 :: 0.980 HD23 :: 0.980 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 :: 118.734 Ave N Shift Values>> N :: 121.86(3.9) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 R 0.21 K 0.2 C Shift Assignments>> C :: 179.234 CA :: 60.236 CB :: 32.177 CG :: 26.977 CD :: 29.521 CE :: 41.926 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 :: 8.769 HA :: 3.870 HB2 :: 1.915 HB3 :: 1.917 HG2 :: 1.461 HG3 :: 1.718 HD2 :: 1.639 HD3 :: 1.644 HE2 :: 2.857 HE3 :: 2.930 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 :: 121.713 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.41 I 0.02 C 0.02 HN Overlap>> 1.N205 1.N205 C Shift Assignments>> C :: 180.241 CA :: 54.838 CB :: 17.896 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.012 HA :: 4.187 HB1 :: 1.467 HB2 :: 1.467 HB3 :: 1.467 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.473 Ave N Shift Values>> N :: 123.23(3.54) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.41 C 0.01 I 0.01 C Shift Assignments>> C :: 180.508 CA :: 53.909 CB :: 17.788 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.790 HA :: 4.317 HB1 :: 1.617 HB2 :: 1.617 HB3 :: 1.617 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.343 Ave N Shift Values>> N :: 123.23(3.54) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.45 I 0.03 C 0.02 C Shift Assignments>> C :: 178.006 CA :: 55.001 CB :: 18.351 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.776 HA :: 4.212 HB1 :: 1.623 HB2 :: 1.623 HB3 :: 1.623 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.495 Ave N Shift Values>> N :: 123.23(3.54) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 174.749 CA :: 61.233 CB :: 68.698 CG2 :: 21.539 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 :: 7.321 HA :: 4.603 HB :: 4.600 HG1 :: 4.195 HG21 :: 1.292 HG22 :: 1.292 HG23 :: 1.292 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 105.405 Ave N Shift Values>> N :: 115.42(4.75) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.28 C Shift Assignments>> C :: 174.020 CA :: 60.885 CB :: 72.614 CG2 :: 21.334 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 :: 7.407 HA :: 4.834 HB :: 4.592 HG1 :: 5.584 HG21 :: 1.358 HG22 :: 1.358 HG23 :: 1.358 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 :: 112.255 Ave N Shift Values>> N :: 115.42(4.75) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K99 1.R139 1.K99 1.R139 C Shift Assignments>> C :: 174.032 CA :: 59.322 CB :: 63.435 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.000 HA :: 4.424 HB2 :: 4.006 HB3 :: 4.107 HG :: 4.275 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 :: 120.507 Ave N Shift Values>> N :: 116.28(3.52) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.26 M 0.21 R 0.11 Q 0.03 HN Overlap>> 1.K99 1.K99 C Shift Assignments>> C :: 171.477 CA :: 53.229 CB :: 29.570 CG :: 30.876 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 :: 8.005 HA :: 4.796 HB2 :: 1.825 HB3 :: 2.082 HG2 :: 2.285 HG3 :: 2.285 HE21 :: 7.751 HE22 :: 7.483 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 :: 120.375 NE2 :: 115.331 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.839 CA :: 63.246 CB :: 32.382 CG :: 27.068 CD :: 49.864 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 :: 4.163 HB2 :: 1.913 HB3 :: 1.594 HG2 :: 1.905 HG3 :: 1.980 HD2 :: 3.449 HD3 :: 3.454 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 174.933 CA :: 64.880 CB :: 32.380 CG1 :: 21.294 CG2 :: 21.294 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 :: 7.782 HA :: 4.133 HB :: 0.945 HG11 :: 0.948 HG12 :: 0.948 HG13 :: 0.948 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 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 :: 122.119 Ave N Shift Values>> N :: 121.14(4.54) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 A 0.24 C 0.11 L 0.09 C Shift Assignments>> C :: 177.718 CA :: 52.733 CB :: 45.629 CG :: 27.338 CD1 :: 26.009 CD2 :: 21.540 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 :: 7.189 HA :: 4.807 HB2 :: 0.709 HB3 :: 1.998 HG :: 1.379 HD11 :: 0.369 HD12 :: 0.369 HD13 :: 0.369 HD21 :: 0.407 HD22 :: 0.407 HD23 :: 0.407 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 113.651 Ave N Shift Values>> N :: 121.86(3.9) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 176.192 CA :: 60.776 CB :: 70.675 CG2 :: 21.654 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 :: 8.598 HA :: 4.593 HB :: 4.722 HG1 :: 7.658 HG21 :: 1.238 HG22 :: 1.238 HG23 :: 1.238 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 :: 110.999 Ave N Shift Values>> N :: 115.42(4.75) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.422 CA :: 62.565 CB :: 62.684 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.183 HA :: 4.042 HB2 :: 3.907 HB3 :: 3.909 HG :: 4.728 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 :: 116.484 Ave N Shift Values>> N :: 116.28(3.52) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.22 K 0.21 E 0.07 R 0.06 I 0.04 HN Overlap>> 1.M14 1.E206 1.M14 1.E206 1.R141 1.R141 C Shift Assignments>> C :: 179.019 CA :: 59.234 CB :: 28.168 CG :: 34.089 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 :: 8.414 HA :: 4.079 HB2 :: 1.939 HB3 :: 2.071 HG2 :: 2.066 HG3 :: 2.381 HE21 :: 6.814 HE22 :: 6.916 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 :: 119.575 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.28 Q 0.16 R 0.1 M 0.03 P 0.01 HN Overlap>> 1.A35 1.A35 C Shift Assignments>> C :: 178.361 CA :: 59.463 CB :: 28.651 CG :: 32.674 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 :: 7.662 HA :: 3.913 HB2 :: 2.028 HB3 :: 2.306 HG2 :: 2.439 HG3 :: 2.434 HE21 :: 6.816 HE22 :: 7.566 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 :: 120.330 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 HN Overlap>> 1.N199 1.N199 C Shift Assignments>> C :: 177.468 CA :: 66.115 CB :: 38.938 CG1 :: 26.053 CG2 :: 17.570 CD1 :: 14.824 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 :: 8.225 HA :: 3.624 HB :: 2.018 HG12 :: 0.363 HG13 :: 0.803 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 HD11 :: 0.692 HD12 :: 0.692 HD13 :: 0.692 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 :: 119.162 Ave N Shift Values>> N :: 121.46(4.28) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.12 K 0.08 Q 0.04 M 0.02 HN Overlap>> 1.R165 1.R165 C Shift Assignments>> C :: 178.136 CA :: 58.572 CB :: 29.421 CG :: 36.326 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 :: 8.145 HA :: 4.119 HB2 :: 2.100 HB3 :: 2.097 HG2 :: 2.106 HG3 :: 2.448 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.690 Ave N Shift Values>> N :: 120.67(3.48) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.139 CA :: 66.840 CB :: 69.292 CG2 :: 22.214 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 :: 7.557 HA :: 4.067 HB :: 4.194 HG1 :: 3.905 HG21 :: 1.096 HG22 :: 1.096 HG23 :: 1.096 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 :: 113.422 Ave N Shift Values>> N :: 115.42(4.75) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 175.452 CA :: 65.973 CB :: 39.002 CG1 :: 25.080 CG2 :: 16.745 CD1 :: 14.496 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 :: 7.937 HA :: 3.470 HB :: 1.359 HG12 :: 0.370 HG13 :: 1.336 HG21 :: 0.070 HG22 :: 0.070 HG23 :: 0.070 HD11 :: 0.550 HD12 :: 0.550 HD13 :: 0.550 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 :: 119.110 Ave N Shift Values>> N :: 121.46(4.28) 1.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 F 0.47 C Shift Assignments>> C :: 175.611 CA :: 57.803 CB :: 37.429 CD1 :: 132.607 CD2 :: 132.616 CE1 :: 130.948 CE2 :: 132.573 CZ :: 127.635 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 :: 7.951 HA :: 4.524 HB2 :: 2.936 HB3 :: 3.740 HD1 :: 7.353 HD2 :: 7.554 HE1 :: 7.554 HZ :: 7.013 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 :: 111.095 Ave N Shift Values>> N :: 120.45(4.18) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 C Shift Assignments>> C :: 175.755 CA :: 60.135 CB :: 40.498 CD1 :: 132.222 CD2 :: 132.135 CE1 :: 129.761 CE2 :: 131.933 CZ :: 129.738 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 :: 6.788 HA :: 4.457 HB2 :: 3.035 HB3 :: 3.712 HD1 :: 7.354 HD2 :: 7.356 HE1 :: 6.798 HE2 :: 7.361 HZ :: 7.369 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 :: 124.593 Ave N Shift Values>> N :: 120.45(4.18) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.38 K 0.07 L 0.06 G 0.01 C Shift Assignments>> C :: 175.510 CA :: 56.163 CB :: 29.547 CG :: 23.424 CD :: 27.119 CE :: 42.410 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 :: 8.605 HA :: 4.174 HB2 :: 1.671 HB3 :: 1.987 HG2 :: 0.737 HG3 :: 1.162 HD2 :: 0.922 HD3 :: 1.659 HE2 :: 2.364 HE3 :: 2.512 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 :: 116.115 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 HN Overlap>> 1.K10 1.F200 1.K10 1.F200 C Shift Assignments>> C :: 174.499 CA :: 69.241 CB :: 29.523 CG1 :: 22.492 CG2 :: 23.650 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 :: 8.175 HA :: 3.771 HB :: 2.490 HG11 :: 1.038 HG12 :: 1.038 HG13 :: 1.038 HG21 :: 1.164 HG22 :: 1.164 HG23 :: 1.164 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 :: 121.250 Ave N Shift Values>> N :: 121.14(4.54) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.54 C 0.44 C Shift Assignments>> C :: 179.353 CA :: 66.601 CB :: 30.750 CG :: 28.781 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 :: 4.207 HB2 :: 1.810 HB3 :: 2.363 HG2 :: 1.785 HG3 :: 2.222 HD2 :: 3.885 HD3 :: 3.886 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.39 E 0.04 C Shift Assignments>> C :: 179.060 CA :: 61.240 CB :: 29.221 CG :: 38.290 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 :: 8.215 HA :: 3.986 HB2 :: 1.829 HB3 :: 2.025 HG2 :: 2.262 HG3 :: 2.449 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.488 Ave N Shift Values>> N :: 120.67(3.48) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.43 G 0.03 HN Overlap>> 1.L201 1.L201 C Shift Assignments>> C :: 178.555 CA :: 58.143 CB :: 42.550 CG :: 25.628 CD1 :: 24.043 CD2 :: 22.575 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 :: 8.480 HA :: 3.926 HB2 :: 1.534 HB3 :: 2.019 HG :: 0.743 HD11 :: 0.081 HD12 :: 0.081 HD13 :: 0.081 HD21 :: -0.061 HD22 :: -0.061 HD23 :: -0.061 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 :: 120.639 Ave N Shift Values>> N :: 121.86(3.9) 1.Y70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 C Shift Assignments>> C :: 176.276 CA :: 62.542 CB :: 38.427 CD1 :: 132.880 CD2 :: 132.906 CE1 :: 118.179 CE2 :: 119.239 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 :: 8.159 HA :: 3.838 HB2 :: 2.757 HB3 :: 3.155 HD1 :: 6.910 HD2 :: 6.910 HE1 :: 6.753 HE2 :: 6.754 HH :: 8.869 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.745 Ave N Shift Values>> N :: 120.52(4.2) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.33 I 0.16 K 0.05 Q 0.03 M 0.01 C Shift Assignments>> C :: 180.143 CA :: 59.863 CB :: 29.716 CG :: 36.174 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 :: 7.963 HA :: 3.843 HB2 :: 2.145 HB3 :: 2.154 HG2 :: 2.368 HG3 :: 2.461 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.998 Ave N Shift Values>> N :: 120.67(3.48) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 179.115 CA :: 65.360 CB :: 38.459 CG1 :: 28.207 CG2 :: 17.321 CD1 :: 14.540 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 :: 8.049 HA :: 3.862 HB :: 1.873 HG12 :: 1.279 HG13 :: 1.707 HG21 :: 0.689 HG22 :: 0.689 HG23 :: 0.689 HD11 :: 0.850 HD12 :: 0.850 HD13 :: 0.850 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.613 Ave N Shift Values>> N :: 121.46(4.28) 1.H73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.49 C 0.46 H 0.03 HN Overlap>> 1.D186 1.D186 C Shift Assignments>> C :: 176.467 CA :: 61.114 CB :: 27.970 CD2 :: 128.194 CE1 :: 138.067 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 :: 7.986 HA :: 4.163 HB2 :: 2.900 HB3 :: 3.291 HD1 :: 7.700 HD2 :: 7.424 HE1 :: 7.451 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 :: 120.759 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.37 R 0.19 G 0.01 C Shift Assignments>> C :: 177.803 CA :: 58.996 CB :: 31.784 CG :: 24.529 CD :: 28.631 CE :: 42.323 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 :: 9.168 HA :: 3.936 HB2 :: 1.163 HB3 :: 1.683 HG2 :: 0.529 HG3 :: 1.292 HD2 :: 1.384 HD3 :: 1.705 HE2 :: 2.996 HE3 :: 2.996 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 :: 124.744 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 I 0.18 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> C :: 179.684 CA :: 59.499 CB :: 29.291 CG :: 36.255 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 :: 7.701 HA :: 4.058 HB2 :: 1.689 HB3 :: 2.097 HG2 :: 2.176 HG3 :: 2.366 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 :: 117.842 Ave N Shift Values>> N :: 120.67(3.48) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 HN Overlap>> 1.L100 1.L100 C Shift Assignments>> C :: 175.576 CA :: 60.927 CB :: 39.427 CD1 :: 132.120 CD2 :: 132.188 CE1 :: 129.294 CE2 :: 129.754 CZ :: 129.867 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 :: 7.431 HA :: 4.326 HB2 :: 2.718 HB3 :: 3.129 HD1 :: 7.188 HD2 :: 7.188 HE1 :: 6.173 HE2 :: 7.179 HZ :: 6.449 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 :: 120.919 Ave N Shift Values>> N :: 120.45(4.18) 1.Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.75 C 0.24 C Shift Assignments>> C :: 176.667 CA :: 63.072 CB :: 40.019 CD1 :: 133.112 CD2 :: 133.140 CE1 :: 118.263 CE2 :: 118.269 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 :: 9.062 HA :: 3.472 HB2 :: 3.117 HB3 :: 3.120 HD1 :: 7.088 HD2 :: 7.088 HE1 :: 6.813 HE2 :: 6.813 HH :: 8.584 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 :: 121.292 Ave N Shift Values>> N :: 120.52(4.2) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 D 0.15 C 0.12 L 0.1 N 0.07 I 0.04 C Shift Assignments>> C :: 179.254 CA :: 56.484 CB :: 39.701 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 :: 8.981 HA :: 4.343 HB2 :: 2.511 HB3 :: 2.790 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.828 Ave N Shift Values>> N :: 120.65(3.86) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.885 CA :: 46.097 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.846 HA2 :: 3.585 HA3 :: 4.033 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.299 Ave N Shift Values>> N :: 109.67(3.87) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.37 R 0.03 C Shift Assignments>> C :: 177.931 CA :: 57.054 CB :: 41.842 CG :: 26.576 CD1 :: 23.916 CD2 :: 25.622 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 :: 8.371 HA :: 3.870 HB2 :: 0.715 HB3 :: 1.309 HG :: 0.553 HD11 :: 0.834 HD12 :: 0.834 HD13 :: 0.834 HD21 :: 0.548 HD22 :: 0.548 HD23 :: 0.548 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.023 Ave N Shift Values>> N :: 121.86(3.9) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 F 0.38 C Shift Assignments>> C :: 174.361 CA :: 63.967 CB :: 36.113 CD1 :: 131.906 CD2 :: 132.139 CE1 :: 131.662 CE2 :: 130.530 CZ :: 130.231 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 :: 8.608 HA :: 3.897 HB2 :: 2.454 HB3 :: 2.974 HD1 :: 6.965 HD2 :: 6.966 HE1 :: 7.103 HE2 :: 7.289 HZ :: 7.288 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 :: 118.977 Ave N Shift Values>> N :: 120.45(4.18) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 179.255 CA :: 65.706 CB :: 31.047 CG :: 28.200 CD :: 50.923 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 :: 1.887 HB3 :: 2.380 HG2 :: 2.081 HG3 :: 2.087 HD2 :: 3.716 HD3 :: 3.716 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.37 G 0.15 HN Overlap>> 1.V163 1.V163 C Shift Assignments>> C :: 178.151 CA :: 58.755 CB :: 30.136 CG :: 27.033 CD :: 44.022 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 :: 6.979 HA :: 4.145 HB2 :: 1.800 HB3 :: 2.099 HG2 :: 0.693 HG3 :: 0.835 HD2 :: 2.999 HD3 :: 3.566 HE :: 7.765 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.619 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.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 177.353 CA :: 65.449 CB :: 31.577 CG1 :: 21.572 CG2 :: 24.287 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 :: 7.339 HA :: 3.781 HB :: 1.735 HG11 :: 0.564 HG12 :: 0.564 HG13 :: 0.564 HG21 :: 0.692 HG22 :: 0.692 HG23 :: 0.692 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.549 Ave N Shift Values>> N :: 121.14(4.54) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.27 K 0.27 R 0.07 E 0.04 M 0.03 I 0.01 C Shift Assignments>> C :: 177.189 CA :: 57.699 CB :: 28.588 CG :: 33.631 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 :: 7.446 HA :: 3.962 HB2 :: 1.884 HB3 :: 2.082 HG2 :: 2.064 HG3 :: 2.118 HE21 :: 6.735 HE22 :: 6.817 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 :: 116.895 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 C 0.26 K 0.2 R 0.12 E 0.02 M 0.02 HN Overlap>> 1.D164 1.D164 C Shift Assignments>> C :: 175.438 CA :: 53.515 CB :: 27.809 CG :: 33.827 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 :: 7.290 HA :: 4.667 HB2 :: 2.197 HB3 :: 1.824 HG2 :: 2.071 HG3 :: 2.375 HE21 :: 6.815 HE22 :: 7.443 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 :: 119.143 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.48 C Shift Assignments>> C :: 175.851 CA :: 58.928 CB :: 30.466 CD1 :: 126.600 CE3 :: 120.398 CZ2 :: 114.322 CZ3 :: 121.007 CH2 :: 124.826 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 :: 7.443 HA :: 4.563 HB2 :: 3.083 HB3 :: 3.664 HD1 :: 7.171 HE1 :: 9.631 HE3 :: 7.780 HZ2 :: 7.379 HZ3 :: 6.574 HH2 :: 6.985 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 :: 122.401 NE1 :: 129.126 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.514 CA :: 58.345 CB :: 63.970 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.736 HA :: 4.447 HB2 :: 3.108 HB3 :: 3.891 HG :: 3.978 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 :: 119.277 Ave N Shift Values>> N :: 116.28(3.52) 1.H89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 H 0.26 W 0.2 Y 0.01 C Shift Assignments>> C :: 178.442 CA :: 57.252 CB :: 33.903 CD2 :: 119.164 CE1 :: 138.538 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 :: 8.001 HA :: 4.281 HB2 :: 2.104 HB3 :: 3.551 HD1 :: 8.006 HD2 :: 6.906 HE1 :: 7.700 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 :: 127.260 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.23 E 0.09 M 0.04 R 0.03 HN Overlap>> 1.V172 1.V172 C Shift Assignments>> C :: 176.084 CA :: 55.986 CB :: 29.157 CG :: 34.062 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 :: 7.753 HA :: 4.173 HB2 :: 2.025 HB3 :: 2.597 HG2 :: 2.040 HG3 :: 2.591 HE21 :: 7.680 HE22 :: 8.127 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 :: 115.359 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.24 M 0.08 E 0.06 R 0.02 C Shift Assignments>> C :: 174.969 CA :: 56.011 CB :: 29.542 CG :: 33.649 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 :: 6.978 HA :: 4.184 HB2 :: 1.761 HB3 :: 2.073 HG2 :: 2.116 HG3 :: 2.206 HE21 :: 6.845 HE22 :: 8.395 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 :: 120.422 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.36 R 0.14 G 0.01 C Shift Assignments>> C :: 176.947 CA :: 54.695 CB :: 33.474 CD :: 42.154 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 :: 8.539 HA :: 5.181 HB2 :: 1.350 HB3 :: 2.622 HG2 :: 0.803 HG3 :: 0.803 HD2 :: 2.624 HD3 :: 2.986 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 :: 125.230 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.V93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.57 C 0.42 C Shift Assignments>> C :: 178.131 CA :: 54.666 CB :: 34.533 CG1 :: 18.386 CG2 :: 22.217 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 10.923(S) HA :: 4.807 HB :: 2.797 HG11 :: 1.017 HG12 :: 1.017 HG13 :: 1.017 HG21 :: 1.058 HG22 :: 1.058 HG23 :: 1.058 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.015 Ave N Shift Values>> N :: 121.14(4.54) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.48 G 0.18 A 0.15 C 0.06 N 0.05 D 0.01 C Shift Assignments>> C :: 174.142 CA :: 48.426 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.920 HA2 :: 3.656 HA3 :: 3.862 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.724 Ave N Shift Values>> N :: 109.67(3.87) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.21 C 0.17 N 0.11 D 0.08 I 0.04 L 0.04 E 0.04 M 0.01 C Shift Assignments>> C :: 178.751 CA :: 56.297 CB :: 38.510 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 :: 9.525 HA :: 4.468 HB2 :: 2.606 HB3 :: 2.868 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.393 Ave N Shift Values>> N :: 120.65(3.86) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.41 HN Overlap>> 1.L100 1.L100 C Shift Assignments>> C :: 180.053 CA :: 57.466 CB :: 41.736 CG :: 25.919 CD1 :: 23.134 CD2 :: 23.134 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 :: 7.502 HA :: 4.105 HB2 :: 1.374 HB3 :: 2.011 HG :: 1.650 HD11 :: 0.692 HD12 :: 0.692 HD13 :: 0.692 HD21 :: 0.850 HD22 :: 0.850 HD23 :: 0.850 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 :: 120.744 Ave N Shift Values>> N :: 121.86(3.9) 1.F97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.74 C 0.25 C Shift Assignments>> C :: 178.374 CA :: 62.198 CB :: 39.276 CD1 :: 132.240 CD2 :: 132.263 CE1 :: 130.869 CE2 :: 130.974 CZ :: 129.533 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 :: 7.311 HA :: 4.060 HB3 :: 2.815 HD1 :: 7.481 HD2 :: 7.482 HE1 :: 7.027 HE2 :: 7.177 HZ :: 7.166 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 :: 117.081 Ave N Shift Values>> N :: 120.45(4.18) 1.Q98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.17 Q 0.16 E 0.16 I 0.07 M 0.01 C Shift Assignments>> C :: 178.193 CA :: 60.082 CB :: 29.335 CG :: 34.663 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 :: 8.650 HA :: 4.003 HB2 :: 2.216 HB3 :: 2.505 HG2 :: 2.222 HG3 :: 2.507 HE21 :: 6.909 HE22 :: 7.828 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 :: 121.696 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.4 R 0.15 HN Overlap>> 1.S50 1.S50 1.Q51 1.Q51 C Shift Assignments>> C :: 179.901 CA :: 59.024 CB :: 31.674 CG :: 24.540 CD :: 28.748 CE :: 42.040 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 :: 8.023 HA :: 4.088 HB2 :: 1.678 HB3 :: 1.989 HG2 :: 1.303 HG3 :: 1.479 HD2 :: 1.305 HD3 :: 1.636 HE2 :: 2.641 HE3 :: 2.989 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 :: 120.401 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.46 HN Overlap>> 1.L96 1.F76 1.L96 1.F76 C Shift Assignments>> C :: 179.423 CA :: 58.411 CB :: 42.002 CG :: 26.300 CD1 :: 22.870 CD2 :: 23.820 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 :: 7.464 HA :: 4.050 HB2 :: 1.188 HB3 :: 1.418 HG :: 1.090 HD11 :: -0.015 HD12 :: -0.015 HD13 :: -0.015 HD21 :: -0.093 HD22 :: -0.093 HD23 :: -0.093 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 :: 120.839 Ave N Shift Values>> N :: 121.86(3.9) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.42 I 0.02 C 0.01 C Shift Assignments>> C :: 179.674 CA :: 54.599 CB :: 17.700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.943 HA :: 4.013 HB1 :: 1.470 HB2 :: 1.470 HB3 :: 1.470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.007 Ave N Shift Values>> N :: 123.23(3.54) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.087 CA :: 60.806 CB :: 63.259 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.053 HA :: 4.379 HB2 :: 4.096 HB3 :: 4.122 HG :: 4.711 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 :: 113.302 Ave N Shift Values>> N :: 116.28(3.52) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.28 C 0.23 E 0.06 M 0.06 R 0.03 HN Overlap>> 1.I134 1.I134 C Shift Assignments>> C :: 176.640 CA :: 55.634 CB :: 29.326 CG :: 33.784 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 :: 7.604 HA :: 4.705 HB2 :: 1.827 HB3 :: 2.572 HG2 :: 2.291 HG3 :: 2.380 HE21 :: 6.818 HE22 :: 7.484 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 :: 120.483 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 L 0.02 A 0.01 HN Overlap>> 1.I204 1.I204 C Shift Assignments>> C :: 177.821 CA :: 58.164 CB :: 40.778 CG :: 23.601 CD1 :: 22.492 CD2 :: 26.165 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 :: 7.226 HA :: 3.977 HB2 :: 0.733 HB3 :: 1.523 HG :: 0.772 HD11 :: 0.766 HD12 :: 0.766 HD13 :: 0.766 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 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 :: 118.798 Ave N Shift Values>> N :: 121.86(3.9) 1.G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 177.353 CA :: 47.309 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.792 HA2 :: 3.814 HA3 :: 3.956 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.722 Ave N Shift Values>> N :: 109.67(3.87) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 178.137 CA :: 66.369 CB :: 31.920 CG1 :: 22.406 CG2 :: 22.406 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 :: 7.871 HA :: 3.807 HB :: 1.999 HG11 :: 1.052 HG12 :: 1.052 HG13 :: 1.052 HG21 :: 0.741 HG22 :: 0.741 HG23 :: 0.741 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 :: 122.749 Ave N Shift Values>> N :: 121.14(4.54) 1.Y107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 178.655 CA :: 63.862 CB :: 39.616 CD1 :: 131.864 CD2 :: 131.923 CE1 :: 119.020 CE2 :: 119.039 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 :: 7.208 HA :: 4.119 HB2 :: 2.856 HB3 :: 3.872 HD1 :: 6.796 HD2 :: 6.796 HE1 :: 6.897 HE2 :: 6.898 HH :: 7.620 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.199 Ave N Shift Values>> N :: 120.52(4.2) 1.R108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.41 K 0.06 G 0.05 C Shift Assignments>> C :: 177.143 CA :: 59.536 CB :: 30.051 CG :: 26.639 CD :: 43.178 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 :: 8.467 HA :: 4.192 HB2 :: 2.157 HB3 :: 2.351 HG2 :: 1.761 HG3 :: 1.931 HD2 :: 3.369 HD3 :: 3.276 HE :: 7.175 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 :: 121.130 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.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.46 C 0.02 I 0.02 C Shift Assignments>> C :: 180.235 CA :: 54.863 CB :: 18.307 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.506 HA :: 4.435 HB1 :: 1.665 HB2 :: 1.665 HB3 :: 1.665 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.422 Ave N Shift Values>> N :: 123.23(3.54) 1.F110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> C :: 178.211 CA :: 63.035 CB :: 40.067 CD1 :: 131.238 CD2 :: 131.333 CE1 :: 132.210 CE2 :: 132.616 CZ :: 131.514 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 :: 8.281 HA :: 4.123 HB2 :: 2.962 HB3 :: 3.295 HD1 :: 7.247 HD2 :: 7.359 HE1 :: 6.967 HE2 :: 7.553 HZ :: 8.166 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 :: 118.719 Ave N Shift Values>> N :: 120.45(4.18) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 178.306 CA :: 67.053 CB :: 31.672 CG1 :: 22.012 CG2 :: 23.082 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 :: 9.394 HA :: 3.726 HB :: 2.470 HG11 :: 1.165 HG12 :: 1.165 HG13 :: 1.165 HG21 :: 1.393 HG22 :: 1.393 HG23 :: 1.393 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 :: 119.114 Ave N Shift Values>> N :: 121.14(4.54) 1.D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.12 D 0.12 C 0.11 K 0.05 I 0.05 N 0.02 C Shift Assignments>> C :: 177.373 CA :: 57.227 CB :: 40.425 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 :: 8.445 HA :: 4.611 HB2 :: 2.764 HB3 :: 2.967 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.355 Ave N Shift Values>> N :: 120.65(3.86) 1.N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.24 K 0.12 N 0.09 F 0.06 C 0.04 Y 0.04 R 0.03 C Shift Assignments>> C :: 174.316 CA :: 53.657 CB :: 41.598 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 :: 7.427 HA :: 4.629 HB2 :: 2.296 HB3 :: 3.022 HD21 :: 6.939 HD22 :: 7.621 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 :: 116.277 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 176.041 CA :: 62.145 CB :: 38.919 CD1 :: 133.129 CD2 :: 133.156 CE1 :: 118.123 CE2 :: 118.181 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 :: 7.613 HA :: 4.101 HB2 :: 2.982 HB3 :: 2.988 HD1 :: 7.043 HD2 :: 7.043 HE1 :: 6.859 HE2 :: 6.864 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.861 Ave N Shift Values>> N :: 120.52(4.2) 1.G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 176.870 CA :: 47.081 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.788 HA2 :: 3.540 HA3 :: 3.827 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.593 Ave N Shift Values>> N :: 109.67(3.87) 1.V116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 178.775 CA :: 65.513 CB :: 31.544 CG1 :: 21.581 CG2 :: 22.131 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 :: 7.547 HA :: 3.759 HB :: 2.113 HG11 :: 0.851 HG12 :: 0.851 HG13 :: 0.851 HG21 :: 0.968 HG22 :: 0.968 HG23 :: 0.968 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 :: 123.491 Ave N Shift Values>> N :: 121.14(4.54) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.29 I 0.07 C 0.05 V 0.02 C Shift Assignments>> C :: 179.745 CA :: 56.139 CB :: 18.770 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.513 HA :: 3.659 HB1 :: 1.483 HB2 :: 1.483 HB3 :: 1.483 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.410 Ave N Shift Values>> N :: 123.23(3.54) 1.M118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.47 A 0.04 C Shift Assignments>> C :: 179.275 CA :: 57.167 CB :: 31.358 CG :: 32.392 CE :: 17.232 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 :: 8.398 HA :: 4.098 HB2 :: 1.831 HB3 :: 1.834 HG2 :: 2.219 HG3 :: 2.221 HE1 :: 2.210 HE2 :: 2.210 HE3 :: 2.210 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 :: 115.229 Ave N Shift Values>> N :: 120.09(3.57) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.35 I 0.16 K 0.04 M 0.02 Q 0.02 HN Overlap>> 1.D192 1.D192 C Shift Assignments>> C :: 178.903 CA :: 59.490 CB :: 29.798 CG :: 36.521 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 :: 7.770 HA :: 4.066 HB2 :: 2.104 HB3 :: 2.104 HG2 :: 2.175 HG3 :: 2.369 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 :: 120.718 Ave N Shift Values>> N :: 120.67(3.48) 1.M120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.47 A 0.02 HN Overlap>> 1.N199 1.N199 C Shift Assignments>> C :: 178.413 CA :: 57.543 CB :: 31.546 CG :: 32.146 CE :: 17.031 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 :: 8.387 HA :: 4.353 HB2 :: 2.041 HB3 :: 2.529 HG2 :: 2.218 HG3 :: 2.529 HE1 :: 2.080 HE2 :: 2.080 HE3 :: 2.080 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 :: 119.130 Ave N Shift Values>> N :: 120.09(3.57) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.19 I 0.09 C 0.03 C Shift Assignments>> C :: 179.438 CA :: 56.149 CB :: 17.787 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.927 HA :: 3.918 HB1 :: 1.482 HB2 :: 1.482 HB3 :: 1.482 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.983 Ave N Shift Values>> N :: 123.23(3.54) 1.E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.33 I 0.16 K 0.04 Q 0.02 M 0.02 C Shift Assignments>> C :: 179.371 CA :: 59.840 CB :: 29.820 CG :: 36.296 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 :: 8.073 HA :: 4.063 HB2 :: 2.211 HB3 :: 2.212 HG2 :: 2.210 HG3 :: 2.372 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.381 Ave N Shift Values>> N :: 120.67(3.48) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.41 R 0.12 HN Overlap>> 1.E207 1.E207 1.A1 1.A1 C Shift Assignments>> C :: 180.603 CA :: 59.587 CB :: 32.446 CG :: 25.504 CD :: 29.116 CE :: 42.242 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 :: 8.204 HA :: 4.072 HB2 :: 1.957 HB3 :: 2.055 HG2 :: 1.543 HG3 :: 1.686 HD2 :: 1.688 HD3 :: 1.689 HE2 :: 2.988 HE3 :: 2.988 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.325 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.43 I 0.41 C 0.1 W 0.01 V 0.01 C Shift Assignments>> C :: 176.849 CA :: 64.142 CB :: 27.951 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.803 HA :: 4.270 HB2 :: 2.421 HB3 :: 2.831 HG :: 1.504 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.690 Ave N Shift Values>> N :: 120.17(4.64) 1.C125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.53 I 0.36 C 0.08 C Shift Assignments>> C :: 175.856 CA :: 64.200 CB :: 27.007 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.443 HA :: 4.293 HB2 :: 3.234 HB3 :: 2.915 HG :: 1.683 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 :: 118.203 Ave N Shift Values>> N :: 120.17(4.64) 1.Q126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.26 E 0.07 R 0.05 M 0.02 I 0.01 HN Overlap>> 1.T167 1.T167 C Shift Assignments>> C :: 177.391 CA :: 57.916 CB :: 28.602 CG :: 33.957 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 :: 7.695 HA :: 4.099 HB2 :: 2.155 HB3 :: 2.155 HG2 :: 2.596 HG3 :: 2.450 HE21 :: 7.697 HE22 :: 7.925 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 :: 116.552 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.05 L 0.03 C 0.03 C Shift Assignments>> C :: 177.652 CA :: 53.066 CB :: 20.188 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.697 HA :: 4.409 HB1 :: 1.500 HB2 :: 1.500 HB3 :: 1.500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.477 Ave N Shift Values>> N :: 123.23(3.54) 1.N128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.3 L 0.13 F 0.07 C 0.06 Y 0.05 K 0.01 C Shift Assignments>> C :: 173.970 CA :: 53.094 CB :: 40.310 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 :: 7.929 HA :: 4.979 HB2 :: 2.659 HB3 :: 3.220 HD21 :: 7.928 HD22 :: 8.279 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.733 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.45 C 0.03 I 0.03 C Shift Assignments>> C :: 180.416 CA :: 55.064 CB :: 18.447 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.852 HA :: 4.269 HB1 :: 1.512 HB2 :: 1.512 HB3 :: 1.512 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.083 Ave N Shift Values>> N :: 123.23(3.54) 1.Q130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.17 K 0.17 Q 0.17 I 0.09 R 0.02 C Shift Assignments>> C :: 179.113 CA :: 59.270 CB :: 28.484 CG :: 34.903 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 :: 8.279 HA :: 4.273 HB2 :: 2.161 HB3 :: 2.405 HG2 :: 2.409 HG3 :: 2.522 HE21 :: 6.865 HE22 :: 7.564 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.081 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> C :: 177.311 CA :: 61.023 CB :: 38.832 CD1 :: 131.983 CD2 :: 131.973 CE1 :: 130.928 CE2 :: 131.916 CZ :: 129.535 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 :: 8.639 HA :: 4.339 HB2 :: 3.063 HB3 :: 2.932 HD1 :: 7.060 HD2 :: 7.061 HE1 :: 7.058 HE2 :: 7.283 HZ :: 7.107 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.101 Ave N Shift Values>> N :: 120.45(4.18) 1.A132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.24 I 0.06 C 0.02 HN Overlap>> 1.L155 1.L155 C Shift Assignments>> C :: 179.899 CA :: 55.666 CB :: 17.640 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.632 HA :: 4.113 HB1 :: 1.683 HB2 :: 1.683 HB3 :: 1.683 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.083 Ave N Shift Values>> N :: 123.23(3.54) 1.E133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.27 I 0.24 K 0.01 M 0.01 C Shift Assignments>> C :: 179.245 CA :: 59.468 CB :: 29.770 CG :: 37.398 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 :: 7.705 HA :: 4.048 HB2 :: 1.870 HB3 :: 2.363 HG2 :: 2.047 HG3 :: 2.367 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 :: 117.591 Ave N Shift Values>> N :: 120.67(3.48) 1.I134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 HN Overlap>> 1.A35 1.Q103 1.A35 1.Q103 C Shift Assignments>> C :: 178.324 CA :: 64.850 CB :: 38.774 CG1 :: 29.464 CG2 :: 16.474 CD1 :: 14.359 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 :: 7.701 HA :: 3.756 HB :: 1.864 HG12 :: 1.206 HG13 :: 1.878 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 HD11 :: 1.002 HD12 :: 1.002 HD13 :: 1.002 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 :: 120.437 Ave N Shift Values>> N :: 121.46(4.28) 1.S135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.178 CA :: 61.573 CB :: 62.987 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.026 HA :: 3.827 HB2 :: 3.479 HB3 :: 3.643 HG :: 4.109 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 :: 112.934 Ave N Shift Values>> N :: 116.28(3.52) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.35 M 0.08 K 0.06 Q 0.06 I 0.04 C Shift Assignments>> C :: 177.078 CA :: 57.532 CB :: 30.244 CG :: 36.140 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 :: 7.574 HA :: 4.247 HB2 :: 2.026 HB3 :: 2.341 HG2 :: 2.027 HG3 :: 2.347 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 :: 119.311 Ave N Shift Values>> N :: 120.67(3.48) 1.N137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.27 L 0.09 F 0.09 Y 0.08 C 0.07 C Shift Assignments>> C :: 175.175 CA :: 53.578 CB :: 39.631 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 :: 7.661 HA :: 4.784 HB2 :: 2.696 HB3 :: 2.900 HD21 :: 7.035 HD22 :: 7.837 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.004 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.33 HN Overlap>> 1.L12 1.L12 C Shift Assignments>> C :: 177.176 CA :: 56.159 CB :: 41.454 CG :: 26.606 CD1 :: 24.770 CD2 :: 24.063 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 :: 7.995 HA :: 4.401 HB2 :: 1.377 HB3 :: 1.821 HG :: 1.682 HD11 :: 0.972 HD12 :: 0.972 HD13 :: 0.972 HD21 :: 0.907 HD22 :: 0.907 HD23 :: 0.907 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 :: 121.959 Ave N Shift Values>> N :: 121.86(3.9) 1.R139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.38 G 0.08 K 0.06 HN Overlap>> 1.S50 1.S50 C Shift Assignments>> C :: 175.948 CA :: 56.117 CB :: 32.025 CG :: 27.293 CD :: 43.561 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 :: 7.991 HA :: 4.467 HB2 :: 1.783 HB3 :: 1.874 HG2 :: 1.634 HG3 :: 1.638 HD2 :: 3.184 HD3 :: 3.184 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 :: 120.557 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.A140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.06 C 0.02 L 0.01 C Shift Assignments>> C :: 177.652 CA :: 52.212 CB :: 19.624 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.349 HA :: 4.338 HB1 :: 1.420 HB2 :: 1.420 HB3 :: 1.420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.136 Ave N Shift Values>> N :: 123.23(3.54) 1.R141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.41 G 0.07 K 0.05 HN Overlap>> 1.E206 1.Q57 1.E206 1.Q57 C Shift Assignments>> C :: 176.823 CA :: 57.117 CB :: 30.673 CG :: 27.373 CD :: 43.450 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 :: 8.437 HA :: 4.272 HB2 :: 1.801 HB3 :: 1.878 HG2 :: 1.649 HG3 :: 1.647 HD2 :: 2.991 HD3 :: 3.187 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 :: 119.679 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.S142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.370 CA :: 58.457 CB :: 63.988 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.275 HA :: 4.445 HB2 :: 3.873 HB3 :: 4.429 HG :: 4.733 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.666 Ave N Shift Values>> N :: 116.28(3.52) 1.N143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.19 C 0.09 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 175.593 CA :: 53.351 CB :: 38.929 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 :: 8.360 HA :: 4.745 HB2 :: 2.812 HB3 :: 2.864 HD21 :: 6.934 HD22 :: 7.628 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 :: 120.499 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.41 R 0.13 HN Overlap>> 1.R211 1.R211 C Shift Assignments>> C :: 176.406 CA :: 57.316 CB :: 32.671 CG :: 24.522 CD :: 29.057 CE :: 42.197 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 :: 8.260 HA :: 4.216 HB2 :: 1.784 HB3 :: 1.833 HG2 :: 1.414 HG3 :: 1.422 HD2 :: 1.676 HD3 :: 1.785 HE3 :: 2.993 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 :: 121.029 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.24 K 0.14 F 0.08 N 0.07 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 176.002 CA :: 54.401 CB :: 41.448 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 :: 8.207 HA :: 4.603 HB2 :: 2.616 HB3 :: 2.758 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 :: 119.743 Ave N Shift Values>> N :: 120.65(3.86) 1.A146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.02 C Shift Assignments>> C :: 177.718 CA :: 52.855 CB :: 19.319 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.002 HA :: 4.255 HB1 :: 1.417 HB2 :: 1.417 HB3 :: 1.417 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.216 Ave N Shift Values>> N :: 123.23(3.54) 1.K147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.39 R 0.15 HN Overlap>> 1.E207 1.A1 1.E207 1.A1 C Shift Assignments>> C :: 176.343 CA :: 56.564 CB :: 32.679 CG :: 24.762 CD :: 28.953 CE :: 42.178 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 :: 8.303 HA :: 4.244 HB2 :: 1.781 HB3 :: 1.815 HG2 :: 1.411 HG3 :: 1.676 HD2 :: 1.679 HD3 :: 1.680 HE2 :: 2.514 HE3 :: 2.992 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.270 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.21 N 0.18 K 0.06 C 0.05 F 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 174.878 CA :: 52.029 CB :: 41.468 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 :: 8.004 HA :: 4.937 HB2 :: 2.568 HB3 :: 2.813 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 :: 120.958 Ave N Shift Values>> N :: 120.65(3.86) 1.P149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 177.502 CA :: 63.802 CB :: 32.263 CG :: 27.155 CD :: 50.876 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 :: 4.503 HB2 :: 2.033 HB3 :: 2.310 HG2 :: 2.037 HG3 :: 2.040 HD2 :: 3.857 HD3 :: 3.858 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T150 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 :: 175.121 CA :: 62.533 CB :: 69.778 CG2 :: 21.805 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 :: 8.339 HA :: 4.399 HB :: 4.289 HG1 :: 4.732 HG21 :: 1.234 HG22 :: 1.234 HG23 :: 1.234 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 :: 112.255 Ave N Shift Values>> N :: 115.42(4.75) 1.T151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.152 CA :: 62.024 CB :: 69.941 CG2 :: 21.835 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 :: 7.891 HA :: 4.367 HB :: 4.241 HG1 :: 4.732 HG21 :: 1.212 HG22 :: 1.212 HG23 :: 1.212 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.335 Ave N Shift Values>> N :: 115.42(4.75) 1.K152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.4 R 0.09 HN Overlap>> 1.V217 1.V217 C Shift Assignments>> C :: 175.688 CA :: 56.218 CB :: 33.645 CG :: 24.689 CD :: 29.300 CE :: 42.195 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 :: 8.199 HA :: 4.446 HB2 :: 1.707 HB3 :: 1.810 HG2 :: 1.386 HG3 :: 1.427 HD2 :: 1.687 HD3 :: 2.207 HE2 :: 2.992 HE3 :: 2.991 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 :: 123.572 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.22 N 0.15 K 0.08 F 0.05 C 0.05 Y 0.03 R 0.01 HN Overlap>> 1.E27 1.E27 C Shift Assignments>> C :: 173.858 CA :: 52.693 CB :: 41.412 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 :: 8.517 HA :: 4.947 HB2 :: 2.618 HB3 :: 2.714 HD21 :: 7.994 HD22 :: 8.238 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 :: 120.506 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.188 CA :: 57.570 CB :: 65.258 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.316 HA :: 4.721 HB2 :: 3.973 HB3 :: 4.244 HG :: 4.732 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.822 Ave N Shift Values>> N :: 116.28(3.52) 1.L155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.35 R 0.14 G 0.01 HN Overlap>> 1.A132 1.A132 C Shift Assignments>> C :: 177.628 CA :: 59.053 CB :: 42.399 CG :: 27.289 CD1 :: 24.887 CD2 :: 26.177 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 :: 8.665 HA :: 3.966 HB2 :: 1.575 HB3 :: 1.782 HG :: 1.551 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 HD21 :: 0.823 HD22 :: 0.823 HD23 :: 0.823 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 :: 123.067 Ave N Shift Values>> N :: 121.86(3.9) 1.E156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.3 I 0.22 K 0.04 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.521 CA :: 60.092 CB :: 29.487 CG :: 36.360 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 :: 8.715 HA :: 3.953 HB2 :: 2.023 HB3 :: 2.104 HG2 :: 2.331 HG3 :: 2.332 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.529 Ave N Shift Values>> N :: 120.67(3.48) 1.T157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 177.395 CA :: 65.799 CB :: 68.790 CG2 :: 21.773 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 :: 7.689 HA :: 4.090 HB :: 4.327 HG1 :: 4.728 HG21 :: 1.245 HG22 :: 1.245 HG23 :: 1.245 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.302 Ave N Shift Values>> N :: 115.42(4.75) 1.L158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.46 G 0.01 HN Overlap>> 1.R195 1.R195 C Shift Assignments>> C :: 179.399 CA :: 57.840 CB :: 42.321 CG :: 26.823 CD1 :: 22.809 CD2 :: 22.809 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 :: 8.153 HA :: 4.159 HB2 :: 1.371 HB3 :: 2.017 HG :: 1.773 HD11 :: 0.808 HD12 :: 0.808 HD13 :: 0.808 HD21 :: 0.888 HD22 :: 0.888 HD23 :: 0.888 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 :: 121.733 Ave N Shift Values>> N :: 121.86(3.9) 1.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.42 G 0.04 C Shift Assignments>> C :: 175.916 CA :: 57.519 CB :: 42.721 CG :: 25.159 CD1 :: 23.352 CD2 :: 23.352 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 :: 8.629 HA :: 4.298 HB2 :: 1.794 HB3 :: 2.023 HG :: 1.916 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 HD21 :: 0.995 HD22 :: 0.995 HD23 :: 0.995 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.360 Ave N Shift Values>> N :: 121.86(3.9) 1.Y160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 178.033 CA :: 59.285 CB :: 39.451 CD1 :: 133.639 CD2 :: 133.651 CE1 :: 117.467 CE2 :: 117.710 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 :: 7.185 HA :: 4.592 HB2 :: 3.011 HB3 :: 3.467 HD1 :: 7.137 HD2 :: 7.140 HE1 :: 6.720 HE2 :: 6.720 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 :: 111.674 Ave N Shift Values>> N :: 120.52(4.2) 1.K161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 G 0.13 L 0.08 C Shift Assignments>> C :: 176.873 CA :: 59.163 CB :: 28.675 CG :: 21.639 CE :: 43.394 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 :: 7.973 HA :: 4.230 HB2 :: 1.681 HB3 :: 1.773 HG2 :: 1.063 HG3 :: 1.243 HD2 :: 0.900 HD3 :: 0.958 HE2 :: 3.182 HE3 :: 3.181 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 :: 116.658 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 178.203 CA :: 65.643 CB :: 31.079 CG :: 27.275 CD :: 50.900 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 :: 4.825 HB2 :: 1.613 HB3 :: 1.908 HG2 :: 2.174 HG3 :: 2.296 HD2 :: 3.675 HD3 :: 3.789 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 HN Overlap>> 1.R83 1.R83 C Shift Assignments>> C :: 178.633 CA :: 66.044 CB :: 30.498 CG1 :: 21.765 CG2 :: 21.787 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 :: 6.980 HA :: 3.351 HB :: 1.333 HG11 :: 0.685 HG12 :: 0.685 HG13 :: 0.685 HG21 :: 0.690 HG22 :: 0.690 HG23 :: 0.690 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.551 Ave N Shift Values>> N :: 121.14(4.54) 1.D164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.21 R 0.17 F 0.12 D 0.08 Y 0.08 C 0.06 I 0.01 HN Overlap>> 1.Q86 1.Q86 C Shift Assignments>> C :: 177.588 CA :: 57.025 CB :: 42.372 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 :: 7.222 HA :: 4.216 HB2 :: 2.604 HB3 :: 2.627 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 :: 119.192 Ave N Shift Values>> N :: 120.65(3.86) 1.R165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.39 L 0.09 G 0.01 HN Overlap>> 1.E60 1.E60 C Shift Assignments>> C :: 179.927 CA :: 57.770 CB :: 29.290 CG :: 23.328 CD :: 42.175 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.113 HA :: 3.764 HB2 :: 2.020 HB3 :: 1.336 HG2 :: 0.806 HG3 :: 1.158 HD2 :: 2.629 HD3 :: 2.710 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 :: 116.756 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.V166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 178.621 CA :: 65.349 CB :: 30.717 CG1 :: 19.651 CG2 :: 23.277 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 :: 7.999 HA :: 3.639 HB :: 2.355 HG11 :: 0.982 HG12 :: 0.982 HG13 :: 0.982 HG21 :: 0.502 HG22 :: 0.502 HG23 :: 0.502 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 :: 119.304 Ave N Shift Values>> N :: 121.14(4.54) 1.T167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.Q126 1.Q126 C Shift Assignments>> C :: 175.738 CA :: 65.822 CB :: 68.928 CG2 :: 21.670 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 :: 7.657 HA :: 4.141 HB :: 4.387 HG1 :: 0.978 HG21 :: 1.321 HG22 :: 1.321 HG23 :: 1.321 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 :: 116.623 Ave N Shift Values>> N :: 115.42(4.75) 1.R168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.4 K 0.09 G 0.05 C Shift Assignments>> C :: 177.889 CA :: 57.406 CB :: 30.207 CG :: 27.954 CD :: 43.298 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 :: 7.530 HA :: 4.349 HB2 :: 2.009 HB3 :: 2.274 HG2 :: 1.692 HG3 :: 1.774 HD2 :: 3.129 HD3 :: 3.817 HE :: 7.522 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.971 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.S169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.238 CA :: 62.586 CB :: 63.025 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.003 HA :: 4.146 HB2 :: 3.636 HB3 :: 3.910 HG :: 5.466 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 :: 114.318 Ave N Shift Values>> N :: 116.28(3.52) 1.T170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 175.714 CA :: 64.759 CB :: 67.745 CG2 :: 23.227 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 :: 7.545 HA :: 3.948 HB :: 3.939 HG1 :: 0.736 HG21 :: 1.150 HG22 :: 1.150 HG23 :: 1.150 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 :: 111.818 Ave N Shift Values>> N :: 115.42(4.75) 1.L171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.48 R 0.01 C Shift Assignments>> C :: 179.710 CA :: 58.495 CB :: 41.370 CG :: 27.034 CD1 :: 23.440 CD2 :: 25.039 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 :: 7.303 HA :: 4.131 HB2 :: 1.727 HB3 :: 1.880 HG :: 1.777 HD11 :: 0.927 HD12 :: 0.927 HD13 :: 0.927 HD21 :: 0.927 HD22 :: 0.927 HD23 :: 0.927 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 :: 123.430 Ave N Shift Values>> N :: 121.86(3.9) 1.V172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 HN Overlap>> 1.Q90 1.Q90 C Shift Assignments>> C :: 177.629 CA :: 64.934 CB :: 31.538 CG1 :: 21.524 CG2 :: 21.524 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 :: 7.676 HA :: 4.032 HB :: 2.109 HG11 :: 0.647 HG12 :: 0.647 HG13 :: 0.647 HG21 :: 1.061 HG22 :: 1.061 HG23 :: 1.061 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.384 Ave N Shift Values>> N :: 121.14(4.54) 1.L173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.42 R 0.05 G 0.02 C Shift Assignments>> C :: 178.607 CA :: 57.916 CB :: 42.647 CG :: 27.772 CD1 :: 24.629 CD2 :: 24.629 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 :: 7.149 HA :: 3.833 HB2 :: 1.260 HB3 :: 1.872 HG :: 1.683 HD11 :: 0.651 HD12 :: 0.651 HD13 :: 0.651 HD21 :: 0.745 HD22 :: 0.745 HD23 :: 0.745 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 :: 120.182 Ave N Shift Values>> N :: 121.86(3.9) 1.H174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.4 C 0.34 H 0.24 C Shift Assignments>> C :: 178.561 CA :: 60.480 CB :: 30.239 CD2 :: 121.105 CE1 :: 138.666 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 :: 8.126 HA :: 4.165 HB2 :: 3.204 HB3 :: 3.253 HD1 :: 8.130 HD2 :: 6.943 HE1 :: 7.747 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 :: 118.185 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 L 0.11 C 0.11 D 0.09 K 0.07 I 0.06 N 0.01 C Shift Assignments>> C :: 177.897 CA :: 57.676 CB :: 40.556 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 :: 7.803 HA :: 4.435 HB2 :: 2.664 HB3 :: 2.928 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 :: 120.008 Ave N Shift Values>> N :: 120.65(3.86) 1.L176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.38 R 0.09 G 0.01 C Shift Assignments>> C :: 180.621 CA :: 57.819 CB :: 42.331 CG :: 26.526 CD1 :: 26.501 CD2 :: 24.191 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 :: 8.126 HA :: 4.041 HB2 :: 1.416 HB3 :: 1.546 HG :: 1.410 HD11 :: 0.407 HD12 :: 0.407 HD13 :: 0.407 HD21 :: 0.621 HD22 :: 0.621 HD23 :: 0.621 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 :: 118.642 Ave N Shift Values>> N :: 121.86(3.9) 1.L177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.38 R 0.09 C Shift Assignments>> C :: 178.988 CA :: 58.516 CB :: 41.992 CG :: 27.991 CD1 :: 25.026 CD2 :: 25.414 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 :: 8.688 HA :: 3.764 HB2 :: 1.589 HB3 :: 1.663 HG :: 1.335 HD11 :: 0.466 HD12 :: 0.466 HD13 :: 0.466 HD21 :: 0.584 HD22 :: 0.584 HD23 :: 0.584 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 :: 122.489 Ave N Shift Values>> N :: 121.86(3.9) 1.K178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.44 R 0.07 C Shift Assignments>> C :: 177.311 CA :: 59.002 CB :: 32.009 CG :: 24.488 CD :: 29.500 CE :: 42.114 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 :: 7.737 HA :: 3.907 HB2 :: 1.556 HB3 :: 1.714 HG2 :: 0.991 HG3 :: 1.190 HD2 :: 1.195 HD3 :: 1.563 HE2 :: 2.854 HE3 :: 2.854 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.015 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.34 C 0.28 C Shift Assignments>> C :: 174.207 CA :: 55.719 CB :: 31.245 CD2 :: 119.477 CE1 :: 138.741 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 :: 6.916 HA :: 4.872 HB2 :: 2.528 HB3 :: 3.701 HD1 :: 6.913 HD2 :: 7.125 HE1 :: 7.713 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 :: 113.866 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 HN Overlap>> 1.L43 1.L43 C Shift Assignments>> C :: 171.368 CA :: 60.465 CB :: 70.179 CG2 :: 20.617 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 :: 7.709 HA :: 4.571 HB :: 4.250 HG1 :: 4.728 HG21 :: 1.157 HG22 :: 1.157 HG23 :: 1.157 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.764 Ave N Shift Values>> N :: 115.42(4.75) 1.P181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.32 C Shift Assignments>> C :: 177.089 CA :: 62.996 CB :: 32.714 CG :: 27.860 CD :: 51.270 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 :: 4.474 HB2 :: 2.068 HB3 :: 2.531 HG2 :: 2.186 HG3 :: 2.292 HD2 :: 3.582 HD3 :: 4.119 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A182 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 C Shift Assignments>> C :: 177.738 CA :: 54.123 CB :: 17.739 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.616 HA :: 3.021 HB1 :: 1.097 HB2 :: 1.097 HB3 :: 1.097 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.394 Ave N Shift Values>> N :: 123.23(3.54) 1.S183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.432 CA :: 57.595 CB :: 63.424 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.546 HA :: 4.316 HB2 :: 3.810 HB3 :: 4.095 HG :: 4.736 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 :: 106.834 Ave N Shift Values>> N :: 116.28(3.52) 1.H184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 H 0.32 W 0.19 Y 0.01 C Shift Assignments>> C :: 176.371 CA :: 56.047 CB :: 33.447 CD2 :: 118.356 CE1 :: 138.645 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.258 HA :: 4.719 HB2 :: 3.129 HB3 :: 3.326 HD1 :: 8.265 HD2 :: 7.308 HE1 :: 7.693 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 :: 127.359 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 175.128 CA :: 65.062 CB :: 32.255 CG :: 27.475 CD :: 50.725 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 :: 4.416 HB2 :: 1.830 HB3 :: 2.400 HG2 :: 1.681 HG3 :: 1.947 HD3 :: 3.594 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.17 L 0.17 D 0.16 K 0.11 C 0.09 N 0.02 I 0.02 HN Overlap>> 1.H73 1.H73 C Shift Assignments>> C :: 179.115 CA :: 56.718 CB :: 40.821 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 :: 7.999 HA :: 4.934 HB2 :: 2.451 HB3 :: 3.172 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 :: 120.728 Ave N Shift Values>> N :: 120.65(3.86) 1.H187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.85 H 0.14 C Shift Assignments>> C :: 173.805 CB :: 28.389 CD2 :: 127.639 CE1 :: 138.611 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 :: 8.733 HA :: 3.888 HB2 :: 1.924 HB3 :: 2.278 HD1 :: 6.616 HD2 :: 7.023 HE1 :: 7.707 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 :: 121.409 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 179.855 CA :: 65.763 CB :: 30.745 CG :: 28.647 CD :: 49.873 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 :: 4.504 HB2 :: 2.008 HB3 :: 2.445 HG2 :: 2.129 HG3 :: 2.275 HD2 :: 3.985 HD3 :: 4.187 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.46 G 0.01 C Shift Assignments>> C :: 179.513 CA :: 58.137 CB :: 41.975 CG :: 25.763 CD1 :: 23.106 CD2 :: 23.106 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 :: 6.617 HA :: 4.213 HB2 :: 0.929 HB3 :: 1.471 HG :: 1.922 HD11 :: 0.921 HD12 :: 0.921 HD13 :: 0.921 HD21 :: 1.090 HD22 :: 1.090 HD23 :: 1.090 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.864 Ave N Shift Values>> N :: 121.86(3.9) 1.L190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.41 R 0.07 HN Overlap>> 1.I196 1.I196 C Shift Assignments>> C :: 178.852 CA :: 57.279 CB :: 41.709 CG :: 26.702 CD1 :: 26.750 CD2 :: 22.808 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 :: 8.437 HA :: 3.965 HB2 :: 0.953 HB3 :: 0.957 HG :: 0.583 HD11 :: 0.578 HD12 :: 0.578 HD13 :: 0.578 HD21 :: 0.453 HD22 :: 0.453 HD23 :: 0.453 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 :: 118.853 Ave N Shift Values>> N :: 121.86(3.9) 1.Q191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.23 Q 0.22 E 0.07 I 0.04 R 0.03 M 0.01 HN Overlap>> 1.L33 1.L33 C Shift Assignments>> C :: 178.979 CA :: 59.517 CB :: 28.713 CG :: 34.038 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 :: 8.350 HA :: 3.886 HB2 :: 2.052 HB3 :: 2.402 HG2 :: 2.109 HG3 :: 2.331 HE21 :: 6.861 HE22 :: 7.329 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.491 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.18 L 0.15 Y 0.14 C 0.08 D 0.07 R 0.07 I 0.02 HN Overlap>> 1.E119 1.E119 C Shift Assignments>> C :: 177.401 CA :: 57.753 CB :: 41.766 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.805 HA :: 4.542 HB2 :: 2.786 HB3 :: 2.815 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 :: 120.629 Ave N Shift Values>> N :: 120.65(3.86) 1.A193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.28 I 0.04 C 0.02 HN Overlap>> 1.E13 1.L19 1.E13 1.L19 C Shift Assignments>> C :: 180.521 CA :: 55.285 CB :: 17.461 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.141 HA :: 3.942 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 :: 120.311 Ave N Shift Values>> N :: 123.23(3.54) 1.L194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.47 R 0.01 C Shift Assignments>> C :: 177.111 CA :: 58.638 CB :: 41.202 CG :: 26.408 CD1 :: 26.508 CD2 :: 23.470 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 :: 8.607 HA :: 3.930 HB2 :: 1.280 HB3 :: 2.014 HG :: 0.698 HD11 :: 0.722 HD12 :: 0.722 HD13 :: 0.722 HD21 :: 0.730 HD22 :: 0.730 HD23 :: 0.730 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 :: 122.396 Ave N Shift Values>> N :: 121.86(3.9) 1.R195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.43 G 0.06 K 0.02 HN Overlap>> 1.L6 1.L6 1.L158 1.L158 C Shift Assignments>> C :: 179.310 CA :: 59.682 CB :: 30.002 CG :: 27.227 CD :: 43.266 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 :: 8.069 HA :: 4.091 HB2 :: 2.009 HB3 :: 2.158 HG2 :: 1.552 HG3 :: 1.771 HD2 :: 3.227 HD3 :: 3.363 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 :: 121.672 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.I196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 HN Overlap>> 1.L190 1.L190 C Shift Assignments>> C :: 179.848 CA :: 65.146 CB :: 38.799 CG1 :: 29.090 CG2 :: 17.982 CD1 :: 13.472 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 :: 8.393 HA :: 3.731 HB :: 1.722 HG12 :: 1.127 HG13 :: 1.764 HG21 :: 1.569 HG22 :: 1.569 HG23 :: 1.569 HD11 :: 0.806 HD12 :: 0.806 HD13 :: 0.806 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.930 Ave N Shift Values>> N :: 121.46(4.28) 1.S197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.455 CA :: 62.528 CB :: 62.410 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.171 HA :: 4.212 HB2 :: 3.740 HB3 :: 3.799 HG :: 4.520 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 :: 117.379 Ave N Shift Values>> N :: 116.28(3.52) 1.Q198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.22 K 0.21 E 0.11 I 0.05 R 0.03 C Shift Assignments>> C :: 178.983 CA :: 59.104 CB :: 28.462 CG :: 34.423 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.142 HA :: 4.026 HB2 :: 2.084 HB3 :: 2.294 HG2 :: 2.390 HG3 :: 2.505 HE21 :: 6.915 HE22 :: 7.432 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 :: 121.929 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.2 F 0.17 N 0.13 E 0.1 D 0.05 I 0.04 M 0.03 L 0.02 HN Overlap>> 1.I59 1.M120 1.I59 1.M120 C Shift Assignments>> C :: 178.139 CA :: 56.135 CB :: 37.874 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 :: 8.300 HA :: 4.473 HB2 :: 2.855 HB3 :: 2.996 HD21 :: 7.672 HD22 :: 8.211 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 :: 119.151 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 F 0.3 HN Overlap>> 1.K10 1.K10 1.V66 1.V66 C Shift Assignments>> C :: 179.082 CA :: 61.408 CB :: 39.340 CD1 :: 131.062 CD2 :: 132.121 CE1 :: 129.249 CE2 :: 129.973 CZ :: 125.684 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 :: 8.136 HA :: 4.315 HB2 :: 3.297 HB3 :: 3.310 HD1 :: 7.178 HD2 :: 7.189 HE1 :: 7.177 HE2 :: 7.185 HZ :: 7.183 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.168 Ave N Shift Values>> N :: 120.45(4.18) 1.L201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.47 R 0.03 HN Overlap>> 1.L69 1.L69 C Shift Assignments>> C :: 179.469 CA :: 57.748 CB :: 41.276 CG :: 27.221 CD1 :: 23.579 CD2 :: 25.865 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 :: 8.478 HA :: 3.876 HB2 :: 1.912 HB3 :: 1.973 HG :: 1.624 HD11 :: 0.980 HD12 :: 0.980 HD13 :: 0.980 HD21 :: 1.046 HD22 :: 1.046 HD23 :: 1.046 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 :: 120.681 Ave N Shift Values>> N :: 121.86(3.9) 1.S202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.542 CA :: 61.293 CB :: 63.029 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.211 HA :: 4.296 HB2 :: 4.022 HB3 :: 4.022 HG :: 7.240 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 :: 113.954 Ave N Shift Values>> N :: 116.28(3.52) 1.S203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.050 CA :: 59.867 CB :: 63.896 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.675 HA :: 4.468 HB2 :: 3.939 HB3 :: 4.030 HG :: 7.878 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 :: 116.050 Ave N Shift Values>> N :: 116.28(3.52) 1.I204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 HN Overlap>> 1.L104 1.L104 C Shift Assignments>> C :: 176.044 CA :: 61.795 CB :: 38.577 CG1 :: 26.794 CG2 :: 17.516 CD1 :: 13.883 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 :: 7.245 HA :: 4.312 HB :: 1.922 HG12 :: 0.964 HG13 :: 1.346 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 HD11 :: 0.725 HD12 :: 0.725 HD13 :: 0.725 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.820 Ave N Shift Values>> N :: 121.46(4.28) 1.N205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 D 0.21 F 0.15 Y 0.15 C 0.1 L 0.09 I 0.01 HN Overlap>> 1.A45 1.A45 C Shift Assignments>> C :: 176.029 CA :: 54.916 CB :: 39.283 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 :: 8.043 HA :: 4.586 HB2 :: 2.860 HB3 :: 2.861 HD21 :: 6.884 HD22 :: 7.637 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.501 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.37 M 0.06 I 0.06 K 0.05 Q 0.03 HN Overlap>> 1.M14 1.M14 1.Q57 1.R141 1.Q57 1.R141 C Shift Assignments>> C :: 176.957 CA :: 57.690 CB :: 30.090 CG :: 36.449 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 :: 8.375 HA :: 4.241 HB2 :: 2.022 HB3 :: 2.107 HG2 :: 2.315 HG3 :: 2.324 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 :: 119.664 Ave N Shift Values>> N :: 120.67(3.48) 1.E207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.36 M 0.07 K 0.06 I 0.04 Q 0.04 HN Overlap>> 1.K147 1.K147 1.K123 1.A1 1.K123 1.A1 C Shift Assignments>> C :: 176.973 CA :: 57.303 CB :: 30.117 CG :: 36.375 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 :: 8.301 HA :: 4.296 HB2 :: 2.028 HB3 :: 2.094 HG2 :: 2.016 HG3 :: 2.327 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 :: 119.274 Ave N Shift Values>> N :: 120.67(3.48) 1.I208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 176.080 CA :: 61.567 CB :: 38.367 CG1 :: 27.312 CG2 :: 17.992 CD1 :: 13.325 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 :: 7.855 HA :: 4.295 HB :: 2.008 HG12 :: 1.510 HG13 :: 1.264 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.445 Ave N Shift Values>> N :: 121.46(4.28) 1.T209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 172.688 CA :: 60.446 CB :: 69.592 CG2 :: 21.661 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 :: 7.965 HA :: 4.623 HB :: 4.218 HG1 :: 7.650 HG21 :: 1.240 HG22 :: 1.240 HG23 :: 1.240 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.932 Ave N Shift Values>> N :: 115.42(4.75) 1.P210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 177.067 CA :: 63.545 CB :: 32.004 CG :: 27.502 CD :: 51.009 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 :: 4.413 HB2 :: 1.992 HB3 :: 2.199 HG2 :: 1.888 HG3 :: 2.001 HD2 :: 3.673 HD3 :: 3.794 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 G 0.06 K 0.06 HN Overlap>> 1.K144 1.K144 C Shift Assignments>> C :: 176.543 CA :: 56.218 CB :: 30.696 CG :: 27.257 CD :: 43.371 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 :: 8.319 HA :: 4.294 HB2 :: 1.760 HB3 :: 1.845 HG2 :: 1.644 HG3 :: 1.645 HD2 :: 3.182 HD3 :: 3.183 HE :: 7.989 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 :: 121.023 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.R212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 G 0.07 K 0.05 C Shift Assignments>> C :: 176.392 CA :: 56.262 CB :: 30.830 CG :: 27.196 CD :: 43.395 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 :: 8.293 HA :: 4.319 HB2 :: 1.845 HB3 :: 1.759 HG2 :: 1.644 HG3 :: 1.839 HD2 :: 3.180 HD3 :: 3.262 HE :: 7.684 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 :: 121.992 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.Q213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.25 C 0.24 E 0.08 M 0.08 R 0.02 C Shift Assignments>> C :: 176.047 CA :: 56.037 CB :: 29.575 CG :: 33.889 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 :: 8.444 HA :: 4.330 HB2 :: 1.974 HB3 :: 2.350 HG2 :: 2.111 HG3 :: 2.350 HE21 :: 6.822 HE22 :: 7.511 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 :: 121.530 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.548 CA :: 58.462 CB :: 63.796 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.358 HA :: 4.433 HB2 :: 3.879 HB3 :: 3.882 HG :: 4.729 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 :: 116.822 Ave N Shift Values>> N :: 116.28(3.52) 1.M215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.36 A 0.13 C Shift Assignments>> C :: 176.232 CA :: 55.631 CB :: 33.040 CG :: 32.118 CE :: 17.159 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 :: 8.382 HA :: 4.556 HB2 :: 2.009 HB3 :: 2.112 HG2 :: 2.024 HG3 :: 2.579 HE1 :: 2.157 HE2 :: 2.157 HE3 :: 2.157 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.117 Ave N Shift Values>> N :: 120.09(3.57) 1.T216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.266 CA :: 62.071 CB :: 69.891 CG2 :: 21.762 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 :: 8.156 HA :: 4.347 HB :: 4.165 HG1 :: 4.732 HG21 :: 1.185 HG22 :: 1.185 HG23 :: 1.185 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.822 Ave N Shift Values>> N :: 115.42(4.75) 1.V217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 HN Overlap>> 1.K152 1.K152 C Shift Assignments>> C :: 175.036 CA :: 62.474 CB :: 32.838 CG1 :: 21.239 CG2 :: 20.541 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 :: 8.156 HA :: 4.132 HB :: 2.080 HG11 :: 0.934 HG12 :: 0.934 HG13 :: 0.934 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 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 :: 123.563 Ave N Shift Values>> N :: 121.14(4.54) 1.K218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.47 R 0.04 C Shift Assignments>> C :: 181.110 CA :: 57.730 CB :: 33.876 CG :: 24.951 CE :: 42.203 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 :: 7.930 HA :: 4.173 HB2 :: 1.371 HB3 :: 1.706 HG2 :: 0.949 HG3 :: 1.185 HD2 :: 1.818 HD3 :: 1.818 HE3 :: 2.988 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 :: 130.335 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 216 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 218 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 217 #Suspicious: 1 C Shift Results: #Consistent:1008 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1654 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 210 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K16 HA = 2.785(S), Expected = 4.27, Std = 0.4400, ChiSquare = 7.3816e-04 1.K16 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.V93 H = 10.923(S), Expected = 8.29, Std = 0.6700, ChiSquare = 8.4999e-05