G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.31 L 0.27 G 0.18 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 171.657 CA :: 43.848 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.864 HA3 :: 3.864 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.914 CA :: 58.785 CB :: 64.015 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.491 HB2 :: 3.890 HB3 :: 3.890 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 E 0.32 Q 0.06 N 0.03 D 0.03 C Shift Assignments>> C :: 176.006 CA :: 56.221 CB :: 31.334 CG :: 36.407 CD :: 179.139 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> HA :: 3.863 HB2 :: 2.005 HB3 :: 2.005 HG2 :: 2.295 HG3 :: 2.295 HE21 :: 6.846 HE22 :: 6.627 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> NE2 :: 111.503 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.48 C Shift Assignments>> C :: 176.182 CA :: 56.926 CB :: 30.405 CG :: 36.143 CD :: 183.870 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.427 HA :: 4.220 HB2 :: 1.953 HB3 :: 1.897 HG2 :: 2.175 HG3 :: 2.175 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.784 Ave N Shift Values>> N :: 120.68(3.68) H5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.53 C 0.46 HN Overlap>> Y92 E94 C Shift Assignments>> C :: 175.019 CA :: 56.132 CB :: 30.980 CD2 :: 120.235 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.383 HA :: 4.637 HB2 :: 3.084 HB3 :: 3.049 HD2 :: 7.005 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.837 ND1 :: 187.624 NE2 :: 181.012 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.34 R 0.09 M 0.04 C Shift Assignments>> C :: 174.197 CA :: 54.011 CB :: 32.752 CG :: 24.826 CD :: 29.410 CE :: 41.440 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.218 HA :: 4.598 HB2 :: 1.794 HB3 :: 1.692 HG2 :: 1.428 HG3 :: 1.428 HD2 :: 1.704 HD3 :: 1.704 HE2 :: 3.006 HE3 :: 3.006 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.535 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.806 CA :: 63.148 CB :: 32.277 CG :: 27.462 CD :: 50.523 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.402 HB2 :: 2.305 HB3 :: 1.901 HG2 :: 2.002 HG3 :: 2.002 HD2 :: 3.724 HD3 :: 3.624 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) K8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 R 0.22 M 0.06 C Shift Assignments>> C :: 176.840 CA :: 56.207 CB :: 29.243 CG :: 24.641 CD :: 33.436(S) CE :: 41.742 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.532 HA :: 4.345 HB2 :: 1.828 HB3 :: 1.828 HG2 :: 1.437 HG3 :: 1.437 HD2 :: 1.719 HD3 :: 1.719 HE2 :: 3.001 HE3 :: 3.001 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.294 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.27 M 0.11 G 0.04 K 0.01 C Shift Assignments>> C :: 176.532 CA :: 56.777 CB :: 30.270 CG :: 24.288 CD :: 32.997 CE :: 42.835 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.462 HA :: 4.222 HB2 :: 1.928 HB3 :: 1.928 HG2 :: 1.460 HG3 :: 1.460 HD2 :: 1.774 HD3 :: 1.774 HE2 :: 3.008 HE3 :: 3.008 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.194 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.6 C 0.24 N 0.14 HN Overlap>> I68 C Shift Assignments>> C :: 175.866 CA :: 54.441 CB :: 41.154 CG :: 178.458 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.354 HA :: 4.536 HB2 :: 2.537 HB3 :: 2.537 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.440 Ave N Shift Values>> N :: 120.73(4.2) D11 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> E88 C Shift Assignments>> C :: 175.822 CA :: 57.985 CB :: 39.242 CG :: 171.079(M) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.124 HA :: 4.581 HB2 :: 3.159 HB3 :: 3.052 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.282 Ave N Shift Values>> N :: 120.73(4.2) F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 C 0.49 HN Overlap>> E29 L102 C Shift Assignments>> C :: 175.825 CA :: 57.990 CB :: 37.702 CD1 :: 131.723 CD2 :: 131.464 CE1 :: 131.756 CE2 :: 131.756 CZ :: 129.825 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.008 HA :: 4.577 HB2 :: 2.949 HB3 :: 2.949 HD1 :: 7.158 HD2 :: 7.273 HE1 :: 7.306 HE2 :: 7.306 HZ :: 7.231 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.379 Ave N Shift Values>> N :: 120.69(4.18) R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 K 0.13 G 0.06 HN Overlap>> L20 C Shift Assignments>> C :: 176.134 CA :: 56.657 CB :: 31.019 CG :: 27.180 CD :: 43.308 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.226 HA :: 4.274 HB2 :: 1.787 HB3 :: 1.787 HG2 :: 1.525 HG3 :: 1.525 HD2 :: 3.163 HD3 :: 3.163 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.277 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.32 C 0.17 C Shift Assignments>> C :: 175.705 CA :: 53.207 CB :: 39.341 CG :: 176.953 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.569 HA :: 4.705 HB2 :: 2.807 HB3 :: 2.807 HD21 :: 7.048 HD22 :: 7.738 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.285 ND2 :: 113.356 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.48 C Shift Assignments>> C :: 176.634 CA :: 57.502 CB :: 30.127 CG :: 36.167 CD :: 183.871 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.578 HA :: 4.150 HB2 :: 1.833 HB3 :: 1.833 HG2 :: 2.036 HG3 :: 2.036 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.729 Ave N Shift Values>> N :: 120.68(3.68) F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.44 HN Overlap>> I28 C Shift Assignments>> C :: 175.861 CA :: 57.637 CB :: 39.260 CD1 :: 131.772 CD2 :: 131.772 CE1 :: 132.033 CE2 :: 132.033 CZ :: 129.840 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.152 HA :: 4.621 HB2 :: 3.177 HB3 :: 3.177 HD1 :: 7.226 HD2 :: 7.226 HE1 :: 7.325 HE2 :: 7.325 HZ :: 7.302 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.483 Ave N Shift Values>> N :: 120.69(4.18) D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.47 C 0.45 E 0.05 N 0.02 C Shift Assignments>> C :: 178.777 CA :: 55.245 CB :: 39.504 CG :: 180.359 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.058 HA :: 3.897 HB2 :: 2.810 HB3 :: 2.680 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.113 Ave N Shift Values>> N :: 120.73(4.2) H18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.52 C 0.47 C Shift Assignments>> C :: 175.768 CA :: 56.592 CB :: 31.000 CD2 :: 120.318 CE1 :: 138.109 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.685 HA :: 3.986 HB2 :: 3.232 HB3 :: 3.151 HD2 :: 7.046 HE1 :: 7.919 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.158 ND1 :: 204.739 NE2 :: 178.782 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.34 R 0.06 G 0.01 C Shift Assignments>> C :: 175.739 CA :: 56.465 CB :: 42.000 CG :: 27.533 CD1 :: 24.273 CD2 :: 24.305 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.051 HA :: 4.303 HB2 :: 1.826 HB3 :: 1.826 HG :: 1.699 HD1 :: 0.938 HD2 :: 0.938 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.592 Ave N Shift Values>> N :: 121.98(4.07) L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.36 R 0.07 HN Overlap>> R13 C Shift Assignments>> C :: 175.904 CA :: 57.273 CB :: 41.833 CG :: 27.607 CD1 :: 24.584 CD2 :: 24.584 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.180 HA :: 4.164 HB2 :: 1.706 HB3 :: 1.706 HG :: 1.592 HD1 :: 0.942 HD2 :: 0.942 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.186 Ave N Shift Values>> N :: 121.98(4.07) I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.25 C Shift Assignments>> C :: 175.831 CA :: 62.275 CB :: 37.400 CG1 :: 29.223 CG2 :: 18.521 CD1 :: 13.048 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.379 HA :: 3.936 HB :: 1.858 HG2 :: 0.936 HG12 :: 1.312 HG13 :: 1.178 HD1 :: 0.562 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.895 Ave N Shift Values>> N :: 121.6(4.72) E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 E 0.46 C Shift Assignments>> C :: 179.290 CA :: 59.632 CB :: 29.175 CG :: 36.852 CD :: 183.698 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.168 HA :: 4.084 HB2 :: 2.077 HB3 :: 2.077 HG2 :: 2.291 HG3 :: 2.291 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.390 Ave N Shift Values>> N :: 120.68(3.68) Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.41 E 0.16 HN Overlap>> I28 C Shift Assignments>> C :: 179.300 CA :: 58.239 CB :: 28.942 CG :: 33.772 CD :: 179.779 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.073 HA :: 4.206 HB2 :: 2.244 HB3 :: 2.244 HG2 :: 2.443 HG3 :: 2.443 HE21 :: 7.512 HE22 :: 6.807 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.374 NE2 :: 111.038 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.24 I 0.06 C 0.02 C Shift Assignments>> C :: 178.697 CA :: 55.686 CB :: 17.606 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.468 HA :: 4.102 HB :: 1.488 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.454 Ave N Shift Values>> N :: 123.23(3.7) N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 N 0.18 D 0.13 C Shift Assignments>> C :: 178.698 CA :: 57.145 CB :: 39.028 CG :: 175.356 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.625 HA :: 4.709 HB2 :: 2.985 HB3 :: 2.985 HD21 :: 7.411 HD22 :: 6.672 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.061 ND2 :: 109.451 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.51 C 0.48 C Shift Assignments>> C :: 177.178 CA :: 58.844 CB :: 30.016 CD2 :: 121.375 CE1 :: 138.077 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.315 HA :: 4.526 HB2 :: 3.267 HB3 :: 3.267 HD2 :: 7.078 HE1 :: 7.892 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.145 ND1 :: 202.180 NE2 :: 186.448 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.32 I 0.04 C 0.03 C Shift Assignments>> C :: 179.469 CA :: 55.394 CB :: 18.078 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.012 HA :: 4.104 HB :: 1.507 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.048 Ave N Shift Values>> N :: 123.23(3.7) I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 HN Overlap>> F16 Q23 C Shift Assignments>> C :: 177.265 CA :: 65.272 CB :: 38.643 CG1 :: 29.742 CG2 :: 17.617 CD1 :: 13.738 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.112 HA :: 3.486 HB :: 1.938 HG2 :: 0.904 HG12 :: 1.807 HG13 :: 1.807 HD1 :: 0.882 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.394 Ave N Shift Values>> N :: 121.6(4.72) E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 C 0.47 HN Overlap>> F12 V64 L102 C Shift Assignments>> C :: 179.633 CA :: 59.660 CB :: 29.861 CG :: 36.575 CD :: 182.830 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.037 HA :: 4.101 HB2 :: 2.138 HB3 :: 2.138 HG2 :: 2.545 HG3 :: 2.545 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.388 Ave N Shift Values>> N :: 120.68(3.68) K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.3 K 0.24 G 0.07 M 0.01 HN Overlap>> I86 C Shift Assignments>> C :: 179.905 CA :: 59.113 CB :: 32.062 CG :: 24.893 CD :: 28.681 CE :: 43.376 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.304 HA :: 4.102 HB2 :: 1.836 HB3 :: 1.836 HG2 :: 1.362 HG3 :: 1.362 HD2 :: 1.678 HD3 :: 1.678 HE2 :: 2.993 HE3 :: 2.993 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.090 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.27 P 0.11 A 0.06 N 0.02 L 0.02 C Shift Assignments>> C :: 174.614 CA :: 47.832 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.771 HA2 :: 3.763 HA3 :: 3.601 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.794 Ave N Shift Values>> N :: 109.91(4.29) E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 C 0.49 C Shift Assignments>> C :: 179.601 CA :: 60.140 CB :: 29.734 CG :: 37.037 CD :: 182.830 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.772 HA :: 3.983 HB2 :: 2.066 HB3 :: 2.066 HG2 :: 2.527 HG3 :: 2.527 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.425 Ave N Shift Values>> N :: 120.68(3.68) H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 H 0.49 C Shift Assignments>> C :: 178.967 CA :: 59.652 CB :: 30.218 CD2 :: 120.066 CE1 :: 138.320 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.932 HA :: 4.395 HB2 :: 3.320 HB3 :: 3.320 HD2 :: 7.090 HE1 :: 7.843 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.504 ND1 :: 212.259 NE2 :: 178.642 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 Q 0.39 E 0.13 C Shift Assignments>> C :: 178.353 CA :: 58.632 CB :: 29.115 CG :: 34.125 CD :: 178.656 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.702 HA :: 4.347 HB2 :: 2.349 HB3 :: 2.133 HG2 :: 2.510 HG3 :: 2.510 HE21 :: 7.754 HE22 :: 6.896 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.498 NE2 :: 110.129 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.41 R 0.05 HN Overlap>> Q96 C Shift Assignments>> C :: 178.059 CA :: 58.649 CB :: 41.294 CG :: 26.590 CD1 :: 26.309 CD2 :: 23.586 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.758 HA :: 4.079 HB2 :: 2.060 HB3 :: 2.060 HG :: 1.549 HD1 :: 0.961 HD2 :: 0.901 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.664 Ave N Shift Values>> N :: 121.98(4.07) L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.36 R 0.03 C Shift Assignments>> C :: 179.801 CA :: 58.159 CB :: 41.483 CG :: 26.943 CD1 :: 24.499 CD2 :: 24.499 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.453 HA :: 4.153 HB2 :: 1.819 HB3 :: 1.819 HG :: 1.697 HD1 :: 0.956 HD2 :: 0.956 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.345 Ave N Shift Values>> N :: 121.98(4.07) Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.38 C Shift Assignments>> C :: 178.399 CA :: 60.659 CB :: 38.098 CD1 :: 133.416 CD2 :: 133.416 CE1 :: 118.277 CE2 :: 118.277 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.675 HA :: 4.419 HB2 :: 3.184 HB3 :: 3.184 HD1 :: 7.158 HD2 :: 7.158 HE1 :: 6.823 HE2 :: 6.823 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.285 Ave N Shift Values>> N :: 120.79(4.69) L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.4 C Shift Assignments>> C :: 179.120 CA :: 58.003 CB :: 41.398 CG :: 25.853 CD1 :: 23.760 CD2 :: 23.760 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.881 HA :: 3.871 HB2 :: 2.113 HB3 :: 2.113 HG :: 0.895 HD1 :: 0.752 HD2 :: 0.752 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.148 Ave N Shift Values>> N :: 121.98(4.07) Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Q 0.33 E 0.15 C Shift Assignments>> C :: 179.158 CA :: 59.436 CB :: 27.537 CG :: 34.638 CD :: 179.566 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.534 HA :: 3.890 HB2 :: 2.349 HB3 :: 2.030 HG2 :: 2.644 HG3 :: 2.335 HE21 :: 7.066 HE22 :: 6.848 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.676 NE2 :: 110.751 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) H40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.54 C 0.45 C Shift Assignments>> C :: 178.471 CA :: 58.784 CB :: 28.807 CD2 :: 120.736 CE1 :: 137.749 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.886 HA :: 4.582 HB2 :: 3.369 HB3 :: 3.369 HD2 :: 7.091 HE1 :: 8.069 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.177 ND1 :: 193.341 NE2 :: 178.949 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.33 Q 0.27 C Shift Assignments>> C :: 177.895 CA :: 58.580 CB :: 29.232 CG :: 34.689 CD :: 180.772 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.994 HA :: 4.065 HB2 :: 1.984 HB3 :: 1.984 HG2 :: 1.989 HG3 :: 1.989 HE21 :: 7.585 HE22 :: 6.919 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.214 NE2 :: 112.743 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.44 R 0.03 C Shift Assignments>> C :: 177.966 CA :: 58.135 CB :: 41.015 CG :: 26.280 CD1 :: 26.582 CD2 :: 23.882 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.309 HA :: 3.984 HB2 :: 2.105 HB3 :: 2.105 HG :: 1.676 HD1 :: 0.968 HD2 :: 0.948 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.838 Ave N Shift Values>> N :: 121.98(4.07) D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 D 0.35 E 0.02 N 0.01 C Shift Assignments>> C :: 179.397 CA :: 57.839 CB :: 39.908 CG :: 179.242 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.646 HA :: 4.458 HB2 :: 2.921 HB3 :: 2.704 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.042 Ave N Shift Values>> N :: 120.73(4.2) E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.45 C Shift Assignments>> C :: 179.024 CA :: 59.458 CB :: 29.026 CG :: 36.188 CD :: 183.945 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.492 HA :: 4.076 HB2 :: 2.146 HB3 :: 2.146 HG2 :: 2.269 HG3 :: 2.269 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.637 Ave N Shift Values>> N :: 120.68(3.68) L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 L 0.24 R 0.22 K 0.11 C Shift Assignments>> C :: 178.602 CA :: 56.766 CB :: 41.418 CG :: 27.359 CD1 :: 28.263 CD2 :: 24.305 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.628 HA :: 4.481 HB2 :: 2.099 HB3 :: 2.099 HG :: 1.623 HD1 :: 0.937 HD2 :: 0.898 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.364 Ave N Shift Values>> N :: 121.98(4.07) N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 N 0.32 D 0.24 C Shift Assignments>> C :: 176.658 CA :: 56.183 CB :: 39.210 CG :: 176.151 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.486 HA :: 4.350 HB2 :: 2.832 HB3 :: 2.787 HD21 :: 7.576 HD22 :: 6.870 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.131 ND2 :: 113.139 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 C 0.47 Q 0.03 C Shift Assignments>> C :: 177.549 CA :: 58.079 CB :: 30.349 CG :: 35.898 CD :: 182.064 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.370 HA :: 4.318 HB2 :: 2.130 HB3 :: 2.130 HG2 :: 2.302 HG3 :: 2.302 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.611 Ave N Shift Values>> N :: 120.68(3.68) N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.24 D 0.18 C Shift Assignments>> C :: 176.046 CA :: 53.521 CB :: 38.731 CG :: 175.834 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.468 HA :: 4.691 HB2 :: 2.990 HB3 :: 2.817 HD21 :: 7.591 HD22 :: 5.995 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.866 ND2 :: 110.129 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.32 K 0.26 G 0.03 M 0.01 C Shift Assignments>> C :: 175.138 CA :: 56.746 CB :: 30.191 CG :: 24.980 CD :: 28.876 CE :: 42.868 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.189 HA :: 3.700 HB2 :: 2.014 HB3 :: 2.014 HG2 :: 1.276 HG3 :: 1.276 HD2 :: 1.767 HD3 :: 1.617 HE2 :: 3.091 HE3 :: 3.091 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.935 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.030 CA :: 57.292 CB :: 63.714 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.098 HA :: 4.583 HB2 :: 3.876 HB3 :: 3.876 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.976 Ave N Shift Values>> N :: 116.3(3.95) K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.39 R 0.13 M 0.02 C Shift Assignments>> C :: 177.919 CA :: 59.662 CB :: 32.731 CG :: 24.450 CD :: 29.190 CE :: 41.870 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.134 HA :: 4.034 HB2 :: 1.776 HB3 :: 1.776 HG2 :: 1.455 HG3 :: 1.455 HD2 :: 1.667 HD3 :: 1.667 HE2 :: 2.969 HE3 :: 2.969 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 132.910 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.45 C Shift Assignments>> C :: 179.495 CA :: 59.686 CB :: 29.487 CG :: 36.871 CD :: 183.924 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.359 HA :: 4.065 HB2 :: 1.944 HB3 :: 1.944 HG2 :: 2.321 HG3 :: 2.321 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.626 Ave N Shift Values>> N :: 120.68(3.68) L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.37 R 0.07 A 0.01 HN Overlap>> A95 C Shift Assignments>> C :: 177.675 CA :: 57.211 CB :: 41.237 CG :: 27.298 CD1 :: 25.821 CD2 :: 22.641 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.630 HA :: 4.304 HB2 :: 2.021 HB3 :: 2.021 HG :: 1.567 HD1 :: 1.082 HD2 :: 1.071 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.830 Ave N Shift Values>> N :: 121.98(4.07) Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Q 0.33 E 0.14 C Shift Assignments>> C :: 176.873 CA :: 60.243 CB :: 30.468 CG :: 34.054 CD :: 178.985 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.253 HA :: 3.687 HB2 :: 1.959 HB3 :: 1.959 HG2 :: 2.109 HG3 :: 2.109 HE21 :: 7.262 HE22 :: 8.125 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.804 NE2 :: 117.424 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 E 0.49 C Shift Assignments>> C :: 179.046 CA :: 59.685 CB :: 29.517 CG :: 36.820 CD :: 183.396 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.369 HA :: 3.957 HB2 :: 2.167 HB3 :: 2.036 HG2 :: 2.561 HG3 :: 2.561 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.021 Ave N Shift Values>> N :: 120.68(3.68) K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.18 C Shift Assignments>> C :: 178.626 CA :: 59.997 CB :: 32.817 CG :: 25.214 CD :: 28.260 CE :: 42.000 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.784 HA :: 4.031 HB2 :: 2.159 HB3 :: 2.159 HG2 :: 1.604 HG3 :: 1.604 HD2 :: 1.698 HD3 :: 1.698 HE2 :: 2.956 HE3 :: 2.956 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.279 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 178.246 CA :: 65.840 CB :: 38.423 CG1 :: 28.443 CG2 :: 18.521 CD1 :: 15.540 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.567 HA :: 3.684 HB :: 1.858 HG2 :: 0.949 HG12 :: 0.870 HG13 :: 0.870 HD1 :: 0.728 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.932 Ave N Shift Values>> N :: 121.6(4.72) I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 177.967 CA :: 65.258 CB :: 37.418 CG1 :: 29.476 CG2 :: 17.097 CD1 :: 13.242 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.191 HA :: 3.870 HB :: 1.843 HG2 :: 0.949 HG12 :: 1.252 HG13 :: 1.252 HD1 :: 0.914 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.130 Ave N Shift Values>> N :: 121.6(4.72) R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 G 0.13 K 0.05 C Shift Assignments>> C :: 179.629 CA :: 59.674 CB :: 30.027 CG :: 27.807 CD :: 43.678 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.923 HA :: 4.207 HB2 :: 2.099 HB3 :: 1.983 HG2 :: 1.871 HG3 :: 1.721 HD2 :: 3.276 HD3 :: 3.276 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.854 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.45 C Shift Assignments>> C :: 180.156 CA :: 59.649 CB :: 29.798 CG :: 36.970 CD :: 183.897 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.194 HA :: 4.133 HB2 :: 2.298 HB3 :: 2.298 HG2 :: 2.613 HG3 :: 2.613 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.293 Ave N Shift Values>> N :: 120.68(3.68) L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.36 R 0.16 K 0.01 G 0.01 C Shift Assignments>> C :: 178.764 CA :: 58.615 CB :: 42.112 CG :: 27.258 CD1 :: 26.377 CD2 :: 25.062 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.049 HA :: 3.968 HB2 :: 2.160 HB3 :: 2.160 HG :: 1.851 HD1 :: 0.824 HD2 :: 0.918 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.199 Ave N Shift Values>> N :: 121.98(4.07) D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 D 0.43 N 0.02 C Shift Assignments>> C :: 179.516 CA :: 57.755 CB :: 40.828 CG :: 178.880 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.230 HA :: 4.424 HB2 :: 2.944 HB3 :: 2.754 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.070 Ave N Shift Values>> N :: 120.73(4.2) V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 179.086 CA :: 66.470 CB :: 32.550 CG1 :: 22.556 CG2 :: 21.328 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.524 HA :: 3.771 HB :: 2.313 HG1 :: 1.166 HG2 :: 1.030 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.620 Ave N Shift Values>> N :: 121.02(4.96) V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 HN Overlap>> E29 C Shift Assignments>> C :: 178.300 CA :: 66.357 CB :: 32.060 CG1 :: 23.313 CG2 :: 23.305 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.057 HA :: 3.864 HB :: 2.242 HG1 :: 1.146 HG2 :: 1.159 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.486 Ave N Shift Values>> N :: 121.02(4.96) C65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 I 0.4 C 0.04 C Shift Assignments>> C :: 176.452 CA :: 64.682 CB :: 26.589 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.992 HA :: 3.937 HB2 :: 3.113 HB3 :: 2.961 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.966 Ave N Shift Values>> N :: 119.95(4.79) A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.3 I 0.05 C 0.02 C Shift Assignments>> C :: 181.221 CA :: 55.338 CB :: 17.701 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.905 HA :: 4.242 HB :: 1.546 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.501 Ave N Shift Values>> N :: 123.23(3.7) M67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.44 I 0.01 C Shift Assignments>> C :: 178.982 CA :: 58.919 CB :: 31.371 CG :: 32.612 CE :: 16.404 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.858 HA :: 4.106 HB2 :: 2.669 HB3 :: 2.376 HG2 :: 2.177 HG3 :: 2.177 HE :: 2.132 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.880 Ave N Shift Values>> N :: 120.1(3.88) I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.23 HN Overlap>> D10 C Shift Assignments>> C :: 178.200 CA :: 63.257 CB :: 36.291 CG1 :: 27.656 CG2 :: 18.963 CD1 :: 12.153 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.327 HA :: 3.781 HB :: 2.094 HG2 :: 1.002 HG12 :: 1.473 HG13 :: 1.473 HD1 :: 0.729 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.365 Ave N Shift Values>> N :: 121.6(4.72) E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 E 0.42 C Shift Assignments>> C :: 180.934 CA :: 60.225 CB :: 29.603 CG :: 37.754 CD :: 183.393 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.234 HA :: 4.080 HB2 :: 2.208 HB3 :: 2.035 HG2 :: 2.568 HG3 :: 2.568 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.413 Ave N Shift Values>> N :: 120.68(3.68) G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 176.647 CA :: 46.912 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.261 HA2 :: 3.966 HA3 :: 3.966 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.891 Ave N Shift Values>> N :: 109.91(4.29) A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.29 I 0.04 C 0.02 C Shift Assignments>> C :: 179.089 CA :: 55.200 CB :: 17.387 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.834 HA :: 4.075 HB :: 1.499 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.434 Ave N Shift Values>> N :: 123.23(3.7) Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 Q 0.31 E 0.18 C Shift Assignments>> C :: 179.131 CA :: 60.087 CB :: 28.993 CG :: 34.654 CD :: 179.069 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.912 HA :: 3.942 HB2 :: 2.250 HB3 :: 2.250 HG2 :: 2.518 HG3 :: 2.518 HE21 :: 7.386 HE22 :: 6.532 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.646 NE2 :: 108.306 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.17 L 0.04 C Shift Assignments>> C :: 176.342 CA :: 46.975 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.363 HA2 :: 3.978 HA3 :: 3.895 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.241 Ave N Shift Values>> N :: 109.91(4.29) A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.36 I 0.03 C 0.03 C Shift Assignments>> C :: 180.473 CA :: 55.188 CB :: 18.193 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.681 HA :: 4.131 HB :: 1.503 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.756 Ave N Shift Values>> N :: 123.23(3.7) L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.36 R 0.02 C Shift Assignments>> C :: 177.980 CA :: 58.070 CB :: 41.825 CG :: 27.022 CD1 :: 24.000 CD2 :: 24.000 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.125 HA :: 3.692 HB2 :: 2.105 HB3 :: 2.105 HG :: 1.233 HD1 :: 0.941 HD2 :: 0.941 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.460 Ave N Shift Values>> N :: 121.98(4.07) E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 E 0.48 HN Overlap>> L103 C Shift Assignments>> C :: 179.180 CA :: 59.673 CB :: 29.613 CG :: 36.584 CD :: 183.585 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.421 HA :: 3.818 HB2 :: 2.188 HB3 :: 2.188 HG2 :: 2.396 HG3 :: 2.396 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.120 Ave N Shift Values>> N :: 120.68(3.68) R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.38 G 0.14 K 0.07 HN Overlap>> Q111 K112 C Shift Assignments>> C :: 179.761 CA :: 59.709 CB :: 31.184 CG :: 27.968 CD :: 43.783 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.728 HA :: 3.946 HB2 :: 1.975 HB3 :: 1.975 HG2 :: 1.478 HG3 :: 1.478 HD2 :: 3.240 HD3 :: 3.240 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.446 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 E 0.47 C Shift Assignments>> C :: 178.952 CA :: 58.723 CB :: 29.451 CG :: 35.902 CD :: 183.887 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.794 HA :: 3.982 HB2 :: 1.729 HB3 :: 1.729 HG2 :: 2.212 HG3 :: 2.212 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.004 Ave N Shift Values>> N :: 120.68(3.68) L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.33 R 0.21 G 0.01 K 0.01 C Shift Assignments>> C :: 178.428 CA :: 56.868 CB :: 42.403 CG :: 28.193 CD1 :: 25.341 CD2 :: 25.341 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.004 HA :: 4.104 HB2 :: 1.601 HB3 :: 1.601 HG :: 1.182 HD1 :: 0.760 HD2 :: 0.760 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.589 Ave N Shift Values>> N :: 121.98(4.07) K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.21 M 0.02 C Shift Assignments>> C :: 178.210 CA :: 57.281 CB :: 32.735 CG :: 25.313 CD :: 29.178 CE :: 42.088 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.352 HA :: 4.228 HB2 :: 1.938 HB3 :: 1.938 HG2 :: 1.533 HG3 :: 1.533 HD2 :: 1.722 HD3 :: 1.722 HE2 :: 2.996 HE3 :: 2.996 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.594 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.37 R 0.23 C Shift Assignments>> C :: 177.779 CA :: 57.721 CB :: 32.012 CG :: 25.499 CD :: 42.107 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.845 HA :: 4.231 HB2 :: 2.032 HB3 :: 2.032 HG2 :: 1.446 HG3 :: 1.446 HD2 :: 3.000 HD3 :: 3.000 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.646 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T82 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 :: 175.497 CA :: 61.571 CB :: 69.049 CG2 :: 21.646 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.689 HA :: 4.481 HB :: 4.582 HG2 :: 1.280 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.116 Ave N Shift Values>> N :: 115.7(5.05) D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.59 N 0.2 C 0.19 C Shift Assignments>> C :: 176.331 CA :: 53.242 CB :: 40.340 CG :: 178.731 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.630 HA :: 4.754 HB2 :: 3.029 HB3 :: 2.540 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.162 Ave N Shift Values>> N :: 120.73(4.2) L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.26 G 0.07 A 0.05 C Shift Assignments>> C :: 178.415 CA :: 54.479 CB :: 43.014 CG :: 26.573 CD1 :: 22.851 CD2 :: 22.851 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.102 HA :: 4.493 HB2 :: 1.705 HB3 :: 1.705 HG :: 1.559 HD1 :: 0.926 HD2 :: 0.926 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.527 Ave N Shift Values>> N :: 121.98(4.07) N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.2 C 0.19 C Shift Assignments>> C :: 175.907 CA :: 52.925 CB :: 38.882 CG :: 176.095 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.477 HA :: 4.789 HB2 :: 3.235 HB3 :: 2.853 HD21 :: 7.681 HD22 :: 7.082 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.009 ND2 :: 112.956 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 HN Overlap>> K30 C Shift Assignments>> C :: 177.659 CA :: 64.710 CB :: 38.174 CG1 :: 28.475 CG2 :: 17.284 CD1 :: 13.515 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.254 HA :: 3.858 HB :: 1.846 HG2 :: 0.948 HG12 :: 1.559 HG13 :: 1.250 HD1 :: 0.920 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.021 Ave N Shift Values>> N :: 121.6(4.72) L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.36 R 0.02 HN Overlap>> I101 C Shift Assignments>> C :: 179.151 CA :: 57.606 CB :: 41.500 CG :: 27.054 CD1 :: 23.986 CD2 :: 23.986 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.937 HA :: 4.225 HB2 :: 1.666 HB3 :: 1.666 HG :: 1.438 HD1 :: 0.945 HD2 :: 0.945 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.532 Ave N Shift Values>> N :: 121.98(4.07) E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.48 HN Overlap>> D11 C Shift Assignments>> C :: 178.360 CA :: 58.999 CB :: 30.448 CG :: 36.998 CD :: 183.509 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.208 HA :: 3.770 HB2 :: 2.137 HB3 :: 2.137 HG2 :: 2.321 HG3 :: 2.321 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.246 Ave N Shift Values>> N :: 120.68(3.68) R89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.31 K 0.13 G 0.1 C Shift Assignments>> C :: 177.619 CA :: 60.891 CB :: 30.854 CG :: 29.364 CD :: 43.182 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.300 HA :: 4.185 HB2 :: 2.144 HB3 :: 2.144 HG2 :: 1.968 HG3 :: 1.968 HD2 :: 3.266 HD3 :: 3.266 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.326 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 C Shift Assignments>> C :: 177.952 CA :: 61.170 CB :: 38.975 CD1 :: 131.660 CD2 :: 131.660 CE1 :: 131.637 CE2 :: 131.637 CZ :: 129.908 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.098 HA :: 4.353 HB2 :: 3.276 HB3 :: 3.276 HD1 :: 7.291 HD2 :: 7.291 HE1 :: 7.326 HE2 :: 7.326 HZ :: 7.269 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.261 Ave N Shift Values>> N :: 120.69(4.18) N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 N 0.29 D 0.08 C Shift Assignments>> C :: 179.406 CA :: 56.218 CB :: 37.959 CG :: 175.370 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.355 HA :: 4.417 HB2 :: 2.838 HB3 :: 2.652 HD21 :: 6.996 HD22 :: 7.339 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.684 ND2 :: 111.090 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.44 HN Overlap>> H5 E94 C Shift Assignments>> C :: 178.421 CA :: 59.627 CB :: 37.436 CD1 :: 131.525 CD2 :: 131.525 CE1 :: 118.361 CE2 :: 118.361 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.466 HA :: 4.559 HB2 :: 3.294 HB3 :: 3.294 HD1 :: 6.906 HD2 :: 6.906 HE1 :: 6.738 HE2 :: 6.738 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.848 Ave N Shift Values>> N :: 120.79(4.69) E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 E 0.46 C Shift Assignments>> C :: 180.000 CA :: 60.199 CB :: 29.293 CG :: 37.108 CD :: 183.434 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.972 HA :: 4.040 HB2 :: 1.915 HB3 :: 1.915 HG2 :: 2.186 HG3 :: 2.186 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.875 Ave N Shift Values>> N :: 120.68(3.68) E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 E 0.46 HN Overlap>> H5 Y92 C Shift Assignments>> C :: 179.014 CA :: 59.685 CB :: 29.597 CG :: 36.871 CD :: 183.863 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.422 HA :: 4.005 HB2 :: 1.959 HB3 :: 1.959 HG2 :: 2.317 HG3 :: 2.317 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.923 Ave N Shift Values>> N :: 120.68(3.68) A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.03 C 0.02 HN Overlap>> L53 C Shift Assignments>> C :: 179.790 CA :: 55.113 CB :: 18.015 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.702 HA :: 4.245 HB :: 1.542 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.803 Ave N Shift Values>> N :: 123.23(3.7) Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Q 0.33 E 0.16 HN Overlap>> L35 C Shift Assignments>> C :: 178.990 CA :: 59.676 CB :: 30.193 CG :: 34.309 CD :: 178.729 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.764 HA :: 3.972 HB2 :: 2.021 HB3 :: 2.021 HG2 :: 2.433 HG3 :: 2.433 HE21 :: 7.467 HE22 :: 6.671 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.705 NE2 :: 109.785 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 176.359 CA :: 68.447 CB :: 67.077 CG2 :: 21.796 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.724 HA :: 4.416 HB :: 3.838 HG2 :: 1.267 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.971 Ave N Shift Values>> N :: 115.7(5.05) L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.36 R 0.05 C Shift Assignments>> C :: 180.271 CA :: 58.232 CB :: 41.856 CG :: 27.223 CD1 :: 24.465 CD2 :: 24.465 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.154 HA :: 4.125 HB2 :: 1.924 HB3 :: 1.924 HG :: 1.649 HD1 :: 0.947 HD2 :: 0.947 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.275 Ave N Shift Values>> N :: 121.98(4.07) S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.037 CA :: 62.880 CB :: 61.605 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.608 HA :: 3.990 HB2 :: 3.849 HB3 :: 3.849 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.851 Ave N Shift Values>> N :: 116.3(3.95) K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.34 R 0.24 HN Overlap>> I101 C Shift Assignments>> C :: 180.028 CA :: 60.040 CB :: 32.619 CG :: 26.209 CD :: 29.683 CE :: 41.868 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.798 HA :: 4.012 HB2 :: 2.027 HB3 :: 2.027 HG2 :: 1.709 HG3 :: 1.709 HD2 :: 1.948 HD3 :: 1.948 HE2 :: 2.985 HE3 :: 2.985 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.557 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 HN Overlap>> L87 K100 C Shift Assignments>> C :: 177.729 CA :: 65.423 CB :: 38.660 CG1 :: 29.250 CG2 :: 17.364 CD1 :: 13.596 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.840 HA :: 3.676 HB :: 1.954 HG2 :: 0.960 HG12 :: 1.808 HG13 :: 1.145 HD1 :: 0.876 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.504 Ave N Shift Values>> N :: 121.6(4.72) L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.35 R 0.09 G 0.01 HN Overlap>> F12 E29 C Shift Assignments>> C :: 179.032 CA :: 57.884 CB :: 42.169 CG :: 27.460 CD1 :: 24.834 CD2 :: 24.834 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.977 HA :: 4.306 HB2 :: 1.825 HB3 :: 1.825 HG :: 1.685 HD1 :: 0.954 HD2 :: 0.954 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.384 Ave N Shift Values>> N :: 121.98(4.07) L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.37 R 0.08 HN Overlap>> E76 V113 C Shift Assignments>> C :: 178.667 CA :: 58.233 CB :: 41.815 CG :: 27.421 CD1 :: 24.977 CD2 :: 24.977 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.383 HA :: 4.141 HB2 :: 1.802 HB3 :: 1.802 HG :: 1.717 HD1 :: 0.963 HD2 :: 0.963 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.124 Ave N Shift Values>> N :: 121.98(4.07) K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.19 M 0.02 C Shift Assignments>> C :: 179.451 CA :: 59.951 CB :: 31.808 CG :: 24.306 CD :: 29.100 CE :: 41.940 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.728 HA :: 4.077 HB2 :: 2.149 HB3 :: 1.954 HG2 :: 1.473 HG3 :: 1.473 HD2 :: 1.701 HD3 :: 1.701 HE2 :: 2.993 HE3 :: 2.993 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.924 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 D 0.43 N 0.04 C Shift Assignments>> C :: 180.870 CA :: 57.684 CB :: 40.717 CG :: 178.214 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.236 HA :: 4.547 HB2 :: 2.877 HB3 :: 2.630 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.533 Ave N Shift Values>> N :: 120.73(4.2) L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.37 R 0.06 G 0.03 C Shift Assignments>> C :: 178.997 CA :: 59.177 CB :: 42.580 CG :: 27.266 CD1 :: 24.366 CD2 :: 24.366 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.222 HA :: 3.864 HB2 :: 2.164 HB3 :: 2.164 HG :: 1.436 HD1 :: 0.950 HD2 :: 0.950 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.108 Ave N Shift Values>> N :: 121.98(4.07) K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.28 G 0.13 K 0.09 M 0.06 C Shift Assignments>> C :: 180.467 CA :: 58.367 CB :: 31.422 CG :: 24.914 CD :: 30.885 CE :: 43.782 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.620 HA :: 4.349 HB2 :: 2.135 HB3 :: 2.135 HG2 :: 1.634 HG3 :: 1.634 HD2 :: 1.890 HD3 :: 1.890 HE2 :: 3.268 HE3 :: 3.268 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.758 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.45 C Shift Assignments>> C :: 179.588 CA :: 59.687 CB :: 29.385 CG :: 36.896 CD :: 183.828 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.450 HA :: 4.171 HB2 :: 2.257 HB3 :: 2.257 HG2 :: 2.544 HG3 :: 2.544 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.953 Ave N Shift Values>> N :: 120.68(3.68) T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.178 CA :: 67.990 CB :: 67.742 CG2 :: 21.124 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.053 HA :: 4.454 HB :: 3.831 HG2 :: 1.116 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.794 Ave N Shift Values>> N :: 115.7(5.05) E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 E 0.46 C Shift Assignments>> C :: 177.378 CA :: 60.130 CB :: 29.643 CG :: 35.925 CD :: 183.811 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.662 HA :: 3.561 HB2 :: 2.398 HB3 :: 2.398 HG2 :: 2.048 HG3 :: 2.048 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.204 Ave N Shift Values>> N :: 120.68(3.68) Q111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 Q 0.36 E 0.17 HN Overlap>> R77 C Shift Assignments>> C :: 177.759 CA :: 58.889 CB :: 28.242 CG :: 33.623 CD :: 180.690 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.759 HA :: 3.869 HB2 :: 2.232 HB3 :: 2.232 HG2 :: 2.438 HG3 :: 2.438 HE21 :: 7.599 HE22 :: 6.929 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.537 NE2 :: 113.505 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.38 K 0.17 G 0.04 HN Overlap>> R77 D115 C Shift Assignments>> C :: 179.975 CA :: 59.774 CB :: 33.163 CG :: 26.598 CD :: 30.006 CE :: 42.901 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.640 HA :: 4.074 HB2 :: 2.073 HB3 :: 2.073 HG2 :: 1.508 HG3 :: 1.508 HD2 :: 1.917 HD3 :: 1.917 HE2 :: 2.995 HE3 :: 2.995 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.393 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 HN Overlap>> L103 C Shift Assignments>> C :: 178.721 CA :: 65.796 CB :: 31.938 CG1 :: 24.415 CG2 :: 22.703 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.278 HA :: 3.538 HB :: 2.272 HG1 :: 1.088 HG2 :: 0.925 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.110 Ave N Shift Values>> N :: 121.02(4.96) K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.32 K 0.26 G 0.01 C Shift Assignments>> C :: 177.349 CA :: 59.632 CB :: 32.590 CG :: 26.747 CD :: 29.748 CE :: 42.079 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.195 HA :: 3.870 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 1.428 HG3 :: 1.428 HD2 :: 1.672 HD3 :: 1.672 HE2 :: 2.895 HE3 :: 2.895 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.857 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.62 C 0.29 N 0.06 HN Overlap>> K112 C Shift Assignments>> C :: 176.939 CA :: 55.228 CB :: 41.586 CG :: 178.752 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.644 HA :: 4.563 HB2 :: 2.728 HB3 :: 2.728 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.329 Ave N Shift Values>> N :: 120.73(4.2) I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.26 C Shift Assignments>> C :: 175.682 CA :: 61.850 CB :: 37.939 CG1 :: 28.203 CG2 :: 17.217 CD1 :: 13.204 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.006 HA :: 3.854 HB :: 1.745 HG2 :: 0.737 HG12 :: 1.342 HG13 :: 1.342 HD1 :: 0.796 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.139 Ave N Shift Values>> N :: 121.6(4.72) Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 C 0.39 E 0.17 C Shift Assignments>> C :: 175.906 CA :: 55.422 CB :: 28.262 CG :: 33.926 CD :: 180.571 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.608 HA :: 4.509 HB2 :: 2.106 HB3 :: 2.106 HG2 :: 2.439 HG3 :: 2.439 HE21 :: 7.854 HE22 :: 6.899 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 128.102 NE2 :: 115.461 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 174.093 CA :: 60.192 CB :: 71.239 CG2 :: 22.420 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.137 HA :: 4.606 HB :: 4.146 HG2 :: 0.825 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.744 Ave N Shift Values>> N :: 115.7(5.05) Q119 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.31 Q 0.22 C Shift Assignments>> C :: 180.337 CA :: 57.303 CB :: 31.242 CG :: 33.919 CD :: 181.429(M) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.435 HA :: 4.387 HB2 :: 2.186 HB3 :: 2.044 HG2 :: 2.359 HG3 :: 2.359 HE21 :: 6.840 HE22 :: 7.572 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.453 NE2 :: 112.078 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 116 #Clerical: 0 #Suspicious: 1 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 118 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 119 #Suspicious: 0 C Shift Results: #Consistent: 592 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 2 H Shift Results: #Consistent: 769 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 142 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: K8 CD = 33.436(S), Expected = 28.78, Std = 1.3900, ChiSquare = 8.0917e-04 D11 Typing: Mistyped D11 CG = 171.079(M), Expected = 178.41, Std = 1.8400, ChiSquare = 6.7697e-05 Q119 CD = 181.429(M), Expected = 179.68, Std = 1.1700, ChiSquare = 1.3495e-01