Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.C1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.21 D 0.18 F 0.12 Y 0.09 C 0.06 R 0.05 N 0.02 C Shift Assignments>> C :: 172.971 CA :: 55.949 CB :: 41.684 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.912 HA :: 4.603 HB2 :: 3.088 HB3 :: 3.091 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 :: 121.242 Ave N Shift Values>> N :: 120.17(4.64) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.23 C 0.07 L 0.06 F 0.06 Y 0.06 C Shift Assignments>> C :: 174.758 CA :: 52.843 CB :: 39.321 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 :: 8.773 HA :: 4.710 HB2 :: 2.622 HB3 :: 2.728 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.691 Ave N Shift Values>> N :: 120.65(3.86) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 C 0.21 A 0.01 C Shift Assignments>> CA :: 53.653 CB :: 40.555 CG :: 26.878 CD1 :: 24.977 CD2 :: 24.398 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 :: 8.164 HA :: 4.401 HB2 :: 1.424 HB3 :: 1.620 HG :: 1.606 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 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 :: 123.957 Ave N Shift Values>> N :: 121.86(3.9) 1.P4 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 :: 176.213 CA :: 63.908 CB :: 31.894 CG :: 27.608 CD :: 50.436 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 :: 4.314 HB2 :: 2.247 HB3 :: 1.831 HG2 :: 1.948 HG3 :: 1.948 HD2 :: 3.545 HD3 :: 3.731 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.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.28 K 0.26 E 0.08 R 0.04 M 0.03 I 0.01 C Shift Assignments>> C :: 176.995 CA :: 57.710 CB :: 28.951 CG :: 33.919 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 :: 8.767 HA :: 4.226 HB2 :: 2.053 HB3 :: 2.099 HG2 :: 2.367 HG3 :: 2.367 HE21 :: 6.202 HE22 :: 6.852 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 :: 121.621 NE2 :: 108.096 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T6 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 :: 174.695 CA :: 62.661 CB :: 69.365 CG2 :: 21.764 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 :: 7.865 HA :: 4.135 HB :: 4.141 HG21 :: 1.087 HG22 :: 1.087 HG23 :: 1.087 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 :: 111.419 Ave N Shift Values>> N :: 115.42(4.75) 1.H7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 H 0.35 C 0.26 HN Overlap>> 1.D114 1.D114 C Shift Assignments>> C :: 174.980 CA :: 56.004 CB :: 28.163 CD2 :: 120.200 CE1 :: 136.137 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 :: 8.567 HA :: 4.585 HB2 :: 3.155 HB3 :: 3.308 HD2 :: 7.278 HE1 :: 8.529 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.137 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S160 1.S160 C Shift Assignments>> C :: 175.312 CA :: 58.969 CB :: 63.439 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.180 HA :: 4.363 HB2 :: 3.888 HB3 :: 3.994 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 :: 115.796 Ave N Shift Values>> N :: 116.28(3.52) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.37 R 0.01 HN Overlap>> 1.F84 1.F84 C Shift Assignments>> C :: 178.568 CA :: 56.966 CB :: 41.796 CG :: 27.046 CD1 :: 24.249 CD2 :: 24.341 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 :: 8.404 HA :: 4.155 HB2 :: 1.608 HB3 :: 1.606 HG :: 1.554 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 HD21 :: 0.829 HD22 :: 0.829 HD23 :: 0.829 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 :: 123.844 Ave N Shift Values>> N :: 121.86(3.9) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 174.586 CA :: 46.905 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.438 HA2 :: 3.930 HA3 :: 3.886 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.582 Ave N Shift Values>> N :: 109.67(3.87) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.749 CA :: 61.299 CB :: 62.653 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.249 HA :: 4.156 HB2 :: 3.866 HB3 :: 3.866 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.806 Ave N Shift Values>> N :: 116.28(3.52) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.39 G 0.07 K 0.03 HN Overlap>> 1.A19 1.A19 C Shift Assignments>> C :: 178.283 CA :: 59.830 CB :: 29.584 CG :: 27.903 CD :: 43.308 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 :: 8.027 HA :: 3.954 HB2 :: 1.801 HB3 :: 1.801 HG2 :: 1.535 HG3 :: 1.658 HD2 :: 3.125 HD3 :: 3.125 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 :: 121.986 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.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.26 G 0.15 I 0.02 K 0.02 HN Overlap>> 1.M148 1.M59 1.M148 1.M59 C Shift Assignments>> C :: 178.480 CA :: 60.491 CB :: 30.082 CD :: 43.698 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 :: 3.839 HB2 :: 1.686 HB3 :: 1.427 HD2 :: 3.128 HD3 :: 3.128 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 :: 119.432 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.T14 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 :: 175.584 CA :: 68.036 CB :: 67.969 CG2 :: 21.534 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 :: 7.957 HA :: 3.532 HB :: 4.192 HG21 :: 0.513 HG22 :: 0.513 HG23 :: 0.513 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 :: 116.879 Ave N Shift Values>> N :: 115.42(4.75) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.42 R 0.01 C Shift Assignments>> C :: 178.652 CA :: 58.088 CB :: 41.554 CG :: 26.982 CD1 :: 24.049 CD2 :: 25.040 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 :: 7.550 HA :: 3.946 HB2 :: 1.579 HB3 :: 1.808 HG :: 1.709 HD11 :: 0.868 HD12 :: 0.868 HD13 :: 0.868 HD21 :: 0.900 HD22 :: 0.900 HD23 :: 0.900 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 :: 120.252 Ave N Shift Values>> N :: 121.86(3.9) 1.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.45 C Shift Assignments>> C :: 178.718 CA :: 58.513 CB :: 32.150 CG :: 31.657 CE :: 16.960 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 :: 7.985 HA :: 4.023 HB2 :: 2.099 HB3 :: 2.099 HG2 :: 2.431 HG3 :: 2.612 HE1 :: 1.948 HE2 :: 1.948 HE3 :: 1.948 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.788 Ave N Shift Values>> N :: 120.09(3.57) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 L 0.03 G 0.02 A 0.01 HN Overlap>> 1.A97 1.A97 C Shift Assignments>> C :: 178.238 CA :: 57.727 CB :: 42.135 CG :: 23.182 CD1 :: 26.260 CD2 :: 22.980 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 :: 7.829 HA :: 3.972 HB2 :: 1.973 HB3 :: 0.916 HG :: 1.686 HD11 :: 0.818 HD12 :: 0.818 HD13 :: 0.818 HD21 :: 0.778 HD22 :: 0.778 HD23 :: 0.778 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 :: 120.644 Ave N Shift Values>> N :: 121.86(3.9) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.38 R 0.07 G 0.01 C Shift Assignments>> C :: 175.739 CA :: 57.656 CB :: 42.242 CG :: 27.441 CD1 :: 25.313 CD2 :: 23.722 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 :: 7.499 HA :: 3.506 HB2 :: 1.583 HB3 :: 1.095 HG :: 1.115 HD11 :: 0.380 HD12 :: 0.380 HD13 :: 0.380 HD21 :: 0.153 HD22 :: 0.153 HD23 :: 0.153 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 :: 118.280 Ave N Shift Values>> N :: 121.86(3.9) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.4 I 0.03 C 0.02 HN Overlap>> 1.R12 1.R12 C Shift Assignments>> C :: 180.736 CA :: 55.066 CB :: 18.077 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.950 HA :: 3.837 HB1 :: 1.406 HB2 :: 1.406 HB3 :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.961 Ave N Shift Values>> N :: 123.23(3.54) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.24 K 0.22 E 0.14 R 0.03 I 0.03 HN Overlap>> 1.L110 1.L110 C Shift Assignments>> C :: 176.945 CA :: 58.015 CB :: 28.474 CG :: 34.556 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 :: 7.958 HA :: 3.935 HB2 :: 2.226 HB3 :: 1.979 HG2 :: 2.325 HG3 :: 2.539 HE21 :: 6.468 HE22 :: 7.181 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 :: 118.605 NE2 :: 109.139 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.42 C Shift Assignments>> C :: 174.671 CA :: 57.111 CB :: 34.073 CG :: 32.700 CE :: 15.171 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 :: 7.420 HA :: 3.861 HB2 :: 1.484 HB3 :: 1.588 HG2 :: 2.039 HG3 :: 2.116 HE1 :: 0.380 HE2 :: 0.380 HE3 :: 0.380 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 :: 116.693 Ave N Shift Values>> N :: 120.09(3.57) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.35 G 0.14 K 0.02 C Shift Assignments>> C :: 175.950 CA :: 58.452 CB :: 31.514 CG :: 26.485 CD :: 43.984 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 :: 6.484 HA :: 3.853 HB2 :: 1.425 HB3 :: 1.710 HG2 :: 1.439 HG3 :: 2.051 HD2 :: 3.050 HD3 :: 3.297 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 :: 115.451 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.K23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 K 0.3 R 0.15 C Shift Assignments>> C :: 176.643 CA :: 57.287 CB :: 36.261 CG :: 25.212 CD :: 29.760 CE :: 41.837 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 :: 10.212(S) HA :: 4.485 HB2 :: 1.730 HB3 :: 1.860 HG2 :: 1.946 HG3 :: 1.458 HD2 :: 1.735 HD3 :: 1.625 HE2 :: 3.049 HE3 :: 3.049 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 :: 128.593 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.46 C Shift Assignments>> C :: 173.878 CA :: 59.597 CB :: 41.456 CG1 :: 26.492 CG2 :: 17.526 CD1 :: 14.485 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 :: 8.465 HA :: 4.484 HB :: 1.801 HG12 :: 1.203 HG13 :: 1.252 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 HD11 :: 0.678 HD12 :: 0.678 HD13 :: 0.678 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 :: 118.605 Ave N Shift Values>> N :: 121.46(4.28) 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 :: 176.359 CA :: 56.975 CB :: 64.759 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.104 HA :: 4.481 HB2 :: 3.888 HB3 :: 3.757 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 :: 113.658 Ave N Shift Values>> N :: 116.28(3.52) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.4 R 0.02 C Shift Assignments>> C :: 178.946 CA :: 57.678 CB :: 41.719 CG :: 27.077 CD1 :: 24.733 CD2 :: 25.054 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 :: 8.802 HA :: 3.877 HB2 :: 1.405 HB3 :: 1.671 HG :: 1.615 HD11 :: 0.826 HD12 :: 0.826 HD13 :: 0.826 HD21 :: 0.773 HD22 :: 0.773 HD23 :: 0.773 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.566 Ave N Shift Values>> N :: 121.86(3.9) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.33 C 0.25 C Shift Assignments>> C :: 177.067 CA :: 60.090 CB :: 38.262 CD1 :: 131.542 CD2 :: 131.542 CE1 :: 131.485 CE2 :: 131.485 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 :: 7.986 HA :: 4.238 HB2 :: 3.135 HB3 :: 2.995 HD1 :: 7.178 HD2 :: 7.178 HE1 :: 7.301 HE2 :: 7.301 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 :: 117.143 Ave N Shift Values>> N :: 120.45(4.18) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.533 CA :: 59.447 CB :: 63.790 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.929 HA :: 4.505 HB2 :: 3.983 HB3 :: 4.047 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 :: 115.200 Ave N Shift Values>> N :: 116.28(3.52) 1.C29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.17 E 0.07 Y 0.07 F 0.05 M 0.05 D 0.04 L 0.01 C Shift Assignments>> C :: 176.475 CA :: 53.430 CB :: 37.242 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.865 HA :: 5.082 HB2 :: 3.393 HB3 :: 2.555 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.870 Ave N Shift Values>> N :: 120.17(4.64) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.43 C Shift Assignments>> C :: 179.774 CA :: 58.303 CB :: 41.576 CG :: 25.164 CD1 :: 23.114 CD2 :: 25.088 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 :: 7.812 HA :: 3.961 HB2 :: 1.739 HB3 :: 1.459 HG :: 1.731 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 HD21 :: 0.903 HD22 :: 0.903 HD23 :: 0.903 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 :: 122.259 Ave N Shift Values>> N :: 121.86(3.9) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.28 R 0.23 G 0.02 C Shift Assignments>> C :: 176.692 CA :: 54.077 CB :: 31.587 CG :: 24.790 CD :: 29.028 CE :: 42.624 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 :: 8.597 HA :: 4.690 HB2 :: 1.770 HB3 :: 1.730 HG2 :: 1.371 HG3 :: 1.341 HD2 :: 1.339 HD3 :: 1.339 HE2 :: 2.925 HE3 :: 2.925 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.731 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.26 K 0.15 F 0.07 N 0.06 R 0.05 Y 0.05 C 0.04 C Shift Assignments>> C :: 175.505 CA :: 54.088 CB :: 41.808 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 :: 7.808 HA :: 4.694 HB2 :: 2.823 HB3 :: 2.421 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.841 Ave N Shift Values>> N :: 120.65(3.86) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.43 G 0.04 K 0.04 C Shift Assignments>> C :: 175.286 CA :: 58.083 CB :: 30.013 CG :: 27.185 CD :: 43.173 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 :: 7.378 HA :: 4.041 HB2 :: 1.789 HB3 :: 1.789 HG2 :: 1.659 HG3 :: 1.726 HD2 :: 3.106 HD3 :: 3.101 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 :: 120.876 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.H34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.41 W 0.34 C 0.24 C Shift Assignments>> C :: 170.494 CA :: 54.607 CB :: 31.488 CD2 :: 120.200 CE1 :: 137.314 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 :: 7.974 HA :: 4.212 HB2 :: 2.650 HB3 :: 2.650 HD2 :: 7.143 HE1 :: 8.672 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 :: 120.555 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.34 L 0.12 C 0.06 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> C :: 175.943 CA :: 52.369 CB :: 40.362 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 :: 4.638 HB2 :: 2.316 HB3 :: 2.511 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.061 Ave N Shift Values>> N :: 120.65(3.86) 1.F36 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 :: 176.643 CA :: 59.639 CB :: 40.691 CD1 :: 131.000 CD2 :: 131.000 CE1 :: 130.776 CE2 :: 130.776 CZ :: 129.550 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 :: 8.973 HA :: 4.325 HB2 :: 2.765 HB3 :: 3.278 HD1 :: 6.931 HD2 :: 6.931 HE1 :: 6.764 HE2 :: 6.764 HZ :: 5.620 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.860 Ave N Shift Values>> N :: 120.45(4.18) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 P 0.29 A 0.12 C 0.09 N 0.04 L 0.02 D 0.01 C Shift Assignments>> C :: 175.185 CA :: 48.143 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.727 HA2 :: 3.680 HA3 :: 3.923 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.856 Ave N Shift Values>> N :: 109.67(3.87) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 C 0.32 Y 0.14 C Shift Assignments>> CA :: 55.804 CB :: 38.657 CD1 :: 130.550 CD2 :: 130.550 CE1 :: 130.550 CE2 :: 130.550 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.169 HA :: 3.914 HD1 :: 6.130 HD2 :: 6.130 HE1 :: 6.840 HE2 :: 6.840 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.178 Ave N Shift Values>> N :: 120.45(4.18) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.93 P 0.06 C Shift Assignments>> C :: 174.634 CA :: 61.543 CB :: 28.704 CD :: 50.349 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 :: 4.529 HB2 :: 1.988 HB3 :: 1.722 HG2 :: 1.284 HG3 :: 1.551 HD2 :: 2.617 HD3 :: 3.039 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.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.28 Q 0.24 R 0.08 M 0.05 E 0.02 C Shift Assignments>> C :: 176.958 CA :: 58.073 CB :: 28.817 CG :: 33.071 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 :: 7.966 HA :: 3.619 HB2 :: 2.074 HB3 :: 2.021 HG2 :: 2.296 HG3 :: 2.337 HE21 :: 7.577 HE22 :: 6.802 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.608 NE2 :: 111.066 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 C 0.15 Q 0.12 W 0.11 K 0.1 E 0.08 H 0.08 I 0.07 L 0.07 M 0.01 C Shift Assignments>> C :: 177.346 CA :: 57.929 CB :: 27.833 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 :: 9.044 HA :: 4.137 HB2 :: 1.956 HB3 :: 1.966 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 :: 119.446 Ave N Shift Values>> N :: 120.67(3.48) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.25 K 0.2 R 0.2 M 0.02 E 0.01 C Shift Assignments>> C :: 174.886 CA :: 56.384 CB :: 27.558 CG :: 33.064 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 :: 7.646 HA :: 4.063 HB2 :: 1.638 HB3 :: 1.472 HG2 :: 2.053 HG3 :: 2.304 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 :: 117.196 Ave N Shift Values>> N :: 120.67(3.48) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 F 0.4 C 0.18 HN Overlap>> 1.C98 1.C98 C Shift Assignments>> C :: 175.615 CA :: 57.548 CB :: 39.893 CD1 :: 132.343 CD2 :: 132.343 CZ :: 129.198 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 :: 7.601 HA :: 4.486 HB2 :: 2.721 HB3 :: 3.330 HD1 :: 7.064 HD2 :: 7.064 HE1 :: 6.923 HE2 :: 6.923 HZ :: 7.034 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 :: 115.527 Ave N Shift Values>> N :: 120.45(4.18) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.032 CA :: 45.612 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.733 HA2 :: 4.039 HA3 :: 4.084 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.243 Ave N Shift Values>> N :: 109.67(3.87) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.13 C 0.12 Y 0.1 F 0.09 L 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 175.894 CA :: 53.849 CB :: 38.419 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 :: 8.343 HA :: 4.551 HB2 :: 2.808 HB3 :: 2.808 HD21 :: 6.896 HD22 :: 7.546 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 :: 117.599 ND2 :: 112.474 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 Q 0.26 C 0.25 R 0.12 M 0.05 E 0.01 C Shift Assignments>> C :: 175.851 CA :: 56.646 CB :: 28.444 CG :: 33.075 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 :: 8.652 HA :: 4.082 HB2 :: 1.764 HB3 :: 1.764 HG2 :: 1.960 HG3 :: 1.960 HE21 :: 6.777 HE22 :: 7.228 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 :: 118.916 NE2 :: 112.145 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.37 Y 0.09 HN Overlap>> 1.E58 1.E58 C Shift Assignments>> C :: 176.258 CA :: 57.920 CB :: 39.858 CD1 :: 130.200 CD2 :: 130.200 CE1 :: 130.200 CE2 :: 130.200 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 :: 7.904 HA :: 4.562 HB2 :: 2.824 HB3 :: 3.111 HD1 :: 7.150 HD2 :: 7.150 HE1 :: 7.220 HE2 :: 7.220 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.511 Ave N Shift Values>> N :: 120.45(4.18) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.26 C 0.23 E 0.08 M 0.07 R 0.02 HN Overlap>> 1.V143 1.V143 1.Q61 1.Q61 C Shift Assignments>> C :: 181.265 CA :: 55.576 CB :: 29.468 CG :: 33.974 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 :: 8.255 HA :: 4.375 HB2 :: 1.912 HB3 :: 2.225 HG2 :: 2.344 HG3 :: 2.344 HE21 :: 7.507 HE22 :: 6.854 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 :: 120.127 NE2 :: 111.902 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.39 R 0.1 C Shift Assignments>> C :: 177.968 CA :: 58.149 CB :: 32.390 CG :: 24.963 CD :: 30.455 CE :: 41.938 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 :: 8.426 HA :: 4.103 HB2 :: 1.766 HB3 :: 1.766 HG2 :: 1.394 HG3 :: 1.394 HD2 :: 1.616 HD3 :: 1.616 HE2 :: 2.927 HE3 :: 2.927 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 :: 121.777 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.35 C 0.03 I 0.01 C Shift Assignments>> C :: 178.697 CA :: 54.768 CB :: 18.874 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.578 HA :: 4.070 HB1 :: 1.336 HB2 :: 1.336 HB3 :: 1.336 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.573 Ave N Shift Values>> N :: 123.23(3.54) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 K 0.22 E 0.19 R 0.02 M 0.02 I 0.02 C Shift Assignments>> C :: 176.995 CA :: 56.993 CB :: 28.905 CG :: 34.746 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 :: 7.907 HA :: 4.266 HB2 :: 2.078 HB3 :: 2.078 HG2 :: 2.355 HG3 :: 2.355 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 :: 115.015 Ave N Shift Values>> N :: 120.67(3.48) 1.T52 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 :: 175.271 CA :: 63.611 CB :: 69.673 CG2 :: 22.605 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 :: 7.863 HA :: 4.114 HB :: 4.265 HG21 :: 1.231 HG22 :: 1.231 HG23 :: 1.231 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 :: 111.210 Ave N Shift Values>> N :: 115.42(4.75) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 HN Overlap>> 1.E113 1.E113 C Shift Assignments>> CA :: 66.907 CB :: 34.953 CG1 :: 29.740 CG2 :: 17.848 CD1 :: 12.694 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 :: 8.341 HA :: 3.864 HB :: 2.083 HG12 :: 1.215 HG13 :: 1.725 HG21 :: 0.846 HG22 :: 0.846 HG23 :: 0.846 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 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 :: 119.113 Ave N Shift Values>> N :: 121.46(4.28) 1.P54 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 :: 179.655 CA :: 66.051 CB :: 31.885 CG :: 28.714 CD :: 49.605 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 :: 4.286 HB2 :: 1.772 HB3 :: 2.345 HG2 :: 2.127 HG3 :: 1.918 HD2 :: 3.615 HD3 :: 3.599 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.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 177.649 CA :: 65.837 CB :: 31.471 CG1 :: 22.423 CG2 :: 22.643 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 :: 7.119 HA :: 3.681 HB :: 2.017 HG11 :: 0.794 HG12 :: 0.794 HG13 :: 0.794 HG21 :: 0.641 HG22 :: 0.641 HG23 :: 0.641 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 :: 116.355 Ave N Shift Values>> N :: 121.14(4.54) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.4 G 0.03 HN Overlap>> 1.Q124 1.Q124 C Shift Assignments>> C :: 178.637 CA :: 58.086 CB :: 42.318 CG :: 24.412 CD1 :: 24.100 CD2 :: 24.438 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 :: 8.535 HA :: 4.310 HB2 :: 1.561 HB3 :: 1.798 HG :: 1.727 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 0.908 HD22 :: 0.908 HD23 :: 0.908 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 :: 123.038 Ave N Shift Values>> N :: 121.86(3.9) 1.H57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 W 0.37 H 0.18 C Shift Assignments>> C :: 175.640 CA :: 60.531 CB :: 28.209 CD2 :: 119.649 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.047 HA :: 3.786 HB2 :: 3.409 HB3 :: 3.066 HD2 :: 7.160 HE1 :: 8.622 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.041 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.13 I 0.13 K 0.12 Q 0.1 E 0.1 R 0.09 H 0.08 L 0.02 M 0.01 HN Overlap>> 1.F47 1.F47 C Shift Assignments>> C :: 179.029 CA :: 58.967 CB :: 28.290 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 :: 7.860 HA :: 4.007 HB2 :: 2.119 HB3 :: 2.119 HG2 :: 2.364 HG3 :: 2.364 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 :: 119.521 Ave N Shift Values>> N :: 120.67(3.48) 1.M59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.29 V 0.08 I 0.01 HN Overlap>> 1.R13 1.M148 1.R13 1.M148 C Shift Assignments>> C :: 177.031 CA :: 59.408 CB :: 32.525 CE :: 17.991 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 :: 8.442 HA :: 4.074 HB2 :: 2.501 HB3 :: 2.635 HE1 :: 1.995 HE2 :: 1.995 HE3 :: 1.995 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 :: 119.512 Ave N Shift Values>> N :: 120.09(3.57) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 177.524 CA :: 65.326 CB :: 36.860 CG1 :: 29.599 CG2 :: 19.371 CD1 :: 12.500 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 :: 8.338 HA :: 3.417 HB :: 1.667 HG12 :: 1.723 HG13 :: 1.175 HG21 :: 0.727 HG22 :: 0.727 HG23 :: 0.727 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 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 :: 117.183 Ave N Shift Values>> N :: 121.46(4.28) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.25 E 0.07 R 0.04 I 0.02 M 0.01 HN Overlap>> 1.Q48 1.Q48 C Shift Assignments>> C :: 178.270 CA :: 58.786 CB :: 28.666 CG :: 33.929 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 :: 8.234 HA :: 3.702 HB2 :: 1.963 HB3 :: 1.791 HG2 :: 2.262 HG3 :: 2.262 HE21 :: 6.745 HE22 :: 7.194 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 :: 120.191 NE2 :: 113.723 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 K 0.43 V 0.04 R 0.02 Q 0.02 C Shift Assignments>> C :: 179.685 CA :: 58.008 CB :: 24.342 CG :: 32.918 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 :: 8.421 HA :: 3.627 HB2 :: 0.514(S) HB3 :: 0.944(S) HG2 :: 2.633 HG3 :: 1.881 HE21 :: 8.221 HE22 :: 7.074 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 :: 116.795 NE2 :: 114.467 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 177.279 CA :: 66.965 CB :: 37.315 CG1 :: 29.131 CG2 :: 19.067 CD1 :: 14.599 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 :: 8.164 HA :: 3.649 HB :: 1.979 HG12 :: 1.169 HG13 :: 1.597 HG21 :: 0.915 HG22 :: 0.915 HG23 :: 0.915 HD11 :: 0.739 HD12 :: 0.739 HD13 :: 0.739 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.797 Ave N Shift Values>> N :: 121.46(4.28) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.17 Y 0.14 F 0.12 HN Overlap>> 1.L88 1.L88 C Shift Assignments>> C :: 178.402 CA :: 62.152 CB :: 38.510 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 :: 8.405 HA :: 3.716 HB2 :: 2.732 HB3 :: 3.285 HD1 :: 6.867 HD2 :: 6.867 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 :: 120.820 Ave N Shift Values>> N :: 120.45(4.18) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.19 Y 0.16 N 0.13 F 0.11 M 0.06 I 0.03 D 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 177.944 CA :: 55.868 CB :: 37.256 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 :: 8.812 HA :: 4.063 HB2 :: 2.849 HB3 :: 2.849 HD21 :: 7.093 HD22 :: 7.109 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 :: 119.981 ND2 :: 108.789 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.29 L 0.13 G 0.03 HN Overlap>> 1.E141 1.E141 C Shift Assignments>> C :: 177.777 CA :: 58.268 CB :: 42.607 CG :: 27.137 CD1 :: 22.445 CD2 :: 27.386 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 :: 8.177 HA :: 4.223 HB2 :: 2.190 HB3 :: 1.702 HG :: 1.217 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.861 HD22 :: 0.861 HD23 :: 0.861 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 :: 121.533 Ave N Shift Values>> N :: 121.86(3.9) 1.F67 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 :: 177.965 CA :: 59.534 CB :: 38.616 CD1 :: 130.900 CD2 :: 130.900 CE1 :: 130.791 CE2 :: 130.791 CZ :: 127.650 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 :: 8.160 HA :: 4.880 HB2 :: 3.379 HB3 :: 3.944 HD1 :: 7.446 HD2 :: 7.446 HE1 :: 6.786 HE2 :: 6.786 HZ :: 6.753 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 :: 110.842 Ave N Shift Values>> N :: 120.45(4.18) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.472 CA :: 59.191 CB :: 63.123 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.016 HA :: 4.580 HB2 :: 3.070 HB3 :: 3.594 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 :: 119.131 Ave N Shift Values>> N :: 116.28(3.52) 1.T69 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 :: 175.661 CA :: 61.411 CB :: 72.209 CG2 :: 21.405 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.977 HA :: 4.345 HB :: 4.652 HG21 :: 1.510 HG22 :: 1.510 HG23 :: 1.510 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 :: 111.353 Ave N Shift Values>> N :: 115.42(4.75) 1.K70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 R 0.13 V 0.01 G 0.01 C Shift Assignments>> C :: 179.259 CA :: 57.956 CB :: 31.750 CG :: 24.690 CD :: 24.490(S) CE :: 42.026 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 :: 9.065 HA :: 4.089 HB2 :: 1.784 HB3 :: 1.784 HG2 :: 1.387 HG3 :: 1.343 HD2 :: 1.332 HD3 :: 1.332 HE2 :: 2.959 HE3 :: 2.959 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 :: 121.120 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 D 0.13 L 0.12 C 0.11 I 0.04 K 0.04 N 0.03 C Shift Assignments>> C :: 178.372 CA :: 57.067 CB :: 40.306 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 :: 7.518 HA :: 4.175 HB2 :: 2.303 HB3 :: 2.338 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 :: 116.374 Ave N Shift Values>> N :: 120.65(3.86) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.897 CA :: 60.267 CB :: 62.616 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.066 HA :: 3.715 HB2 :: 4.057 HB3 :: 4.021 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 :: 117.341 Ave N Shift Values>> N :: 116.28(3.52) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.855 CA :: 61.385 CB :: 62.798 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.982 HA :: 4.094 HB2 :: 3.925 HB3 :: 3.902 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 :: 113.398 Ave N Shift Values>> N :: 116.28(3.52) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.15 C 0.01 C Shift Assignments>> C :: 177.626 CA :: 52.713 CB :: 18.747 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.095 HA :: 4.157 HB1 :: 1.264 HB2 :: 1.264 HB3 :: 1.264 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.486 Ave N Shift Values>> N :: 123.23(3.54) 1.A75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.74 M 0.23 C 0.01 C Shift Assignments>> C :: 177.197 CA :: 53.004 CB :: 18.260 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.159 HA :: 3.696 HB1 :: -0.287(S) HB2 :: -0.287(S) HB3 :: -0.287(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.465 Ave N Shift Values>> N :: 123.23(3.54) 1.W76 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> C 0.64 W 0.35 C Shift Assignments>> C :: 177.617 CA :: 53.319 CB :: 33.076 CD1 :: 129.771 CE3 :: 122.400 CZ2 :: 114.200 CZ3 :: 122.400 CH2 :: 124.405 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 :: 7.080 HA :: 5.050 HB2 :: 2.670 HB3 :: 3.001 HD1 :: 7.267 HE1 :: 6.772(S) HE3 :: 7.570 HZ2 :: 7.780 HZ3 :: 7.290 HH2 :: 7.112 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 116.791 NE1 :: 122.020(S) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HE1 > HD1 : 0.9930) (HE1 > HZ3 : 0.9924) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.18 D 0.18 K 0.13 F 0.06 C 0.04 Y 0.04 N 0.01 G 0.01 HN Overlap>> 1.Q158 1.Q158 C Shift Assignments>> C :: 176.877 CA :: 54.818 CB :: 42.615 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 :: 8.259 HA :: 4.357 HB2 :: 2.559 HB3 :: 2.694 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.928 Ave N Shift Values>> N :: 120.65(3.86) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.21 Q 0.21 E 0.12 I 0.05 R 0.02 C Shift Assignments>> C :: 177.439 CA :: 59.384 CB :: 28.642 CG :: 34.442 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 :: 8.920 HA :: 3.885 HB2 :: 2.065 HB3 :: 2.228 HG2 :: 2.578 HG3 :: 2.428 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.277 Ave N Shift Values>> N :: 120.67(3.48) 1.T79 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 :: 177.330 CA :: 66.263 CB :: 68.002 CG2 :: 21.247 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 :: 8.124 HA :: 3.907 HB :: 4.217 HG21 :: 1.190 HG22 :: 1.190 HG23 :: 1.190 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 :: 115.422 Ave N Shift Values>> N :: 115.42(4.75) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.4 R 0.03 A 0.01 C Shift Assignments>> C :: 179.018 CA :: 57.239 CB :: 41.652 CG :: 26.073 CD1 :: 26.238 CD2 :: 22.729 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 :: 7.725 HA :: 3.887 HB2 :: 1.050 HB3 :: 1.747 HG :: 1.582 HD11 :: 0.731 HD12 :: 0.731 HD13 :: 0.731 HD21 :: 0.640 HD22 :: 0.640 HD23 :: 0.640 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 :: 121.791 Ave N Shift Values>> N :: 121.86(3.9) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.41 C Shift Assignments>> C :: 177.062 CA :: 57.709 CB :: 40.948 CG :: 26.475 CD1 :: 25.660 CD2 :: 23.285 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 :: 8.344 HA :: 3.489 HB2 :: 1.041 HB3 :: 1.702 HG :: 1.465 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 HD21 :: 0.786 HD22 :: 0.786 HD23 :: 0.786 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 :: 119.280 Ave N Shift Values>> N :: 121.86(3.9) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.21 C 0.19 N 0.07 E 0.07 I 0.06 D 0.05 L 0.02 M 0.02 C Shift Assignments>> C :: 179.018 CA :: 56.815 CB :: 38.221 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 :: 8.001 HA :: 4.274 HB2 :: 2.850 HB3 :: 2.861 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.357 Ave N Shift Values>> N :: 120.65(3.86) 1.K83 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 178.624 CA :: 59.745 CB :: 33.106 CG :: 29.520(S) CE :: 38.245(S) 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 :: 7.342 HA :: 3.982 HB2 :: 1.852 HB3 :: 1.679 HG2 :: 1.476 HG3 :: 1.476 HE2 :: 3.041 HE3 :: 3.041 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 :: 119.603 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 HN Overlap>> 1.L9 1.L9 C Shift Assignments>> C :: 177.210 CA :: 60.343 CB :: 39.316 CD1 :: 130.664 CD2 :: 130.664 CE1 :: 130.564 CE2 :: 130.564 CZ :: 128.400 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 :: 8.471 HA :: 4.035 HB2 :: 2.737 HB3 :: 3.075 HD1 :: 6.663 HD2 :: 6.663 HE1 :: 6.404 HE2 :: 6.404 HZ :: 6.158 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.933 Ave N Shift Values>> N :: 120.45(4.18) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 C 0.35 F 0.23 C Shift Assignments>> C :: 178.104 CA :: 58.577 CB :: 36.977 CD1 :: 132.536 CD2 :: 132.536 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 :: 9.011 HA :: 4.068 HB2 :: 3.244 HB3 :: 3.221 HD1 :: 6.851 HD2 :: 6.851 HE1 :: 6.439 HE2 :: 6.439 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.387 Ave N Shift Values>> N :: 120.52(4.2) 1.T86 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 :: 176.708 CA :: 66.759 CB :: 68.853 CG2 :: 21.886 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 :: 7.609 HA :: 3.945 HB :: 4.242 HG21 :: 1.232 HG22 :: 1.232 HG23 :: 1.232 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 :: 114.035 Ave N Shift Values>> N :: 115.42(4.75) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.26 K 0.24 R 0.06 E 0.06 I 0.02 M 0.01 C Shift Assignments>> C :: 179.606 CA :: 58.398 CB :: 28.286 CG :: 33.969 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 :: 7.712 HA :: 4.047 HB2 :: 1.835 HB3 :: 2.091 HG2 :: 2.377 HG3 :: 2.377 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 :: 120.790 Ave N Shift Values>> N :: 120.67(3.48) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 L 0.2 R 0.02 A 0.01 HN Overlap>> 1.F64 1.F64 C Shift Assignments>> C :: 178.695 CA :: 58.251 CB :: 41.587 CG :: 25.857 CD1 :: 21.417 CD2 :: 25.990 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 :: 8.393 HA :: 3.728 HB2 :: 1.733 HB3 :: 1.026 HG :: 1.127 HD11 :: 0.276 HD12 :: 0.276 HD13 :: 0.276 HD21 :: 0.064 HD22 :: 0.064 HD23 :: 0.064 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 :: 120.729 Ave N Shift Values>> N :: 121.86(3.9) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 178.438 CA :: 61.407 CB :: 37.867 CE1 :: 117.958 CE2 :: 117.958 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 :: 8.637 HA :: 3.931 HB2 :: 2.979 HB3 :: 2.979 HD1 :: 6.849 HD2 :: 6.849 HE1 :: 6.428 HE2 :: 6.428 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.654 Ave N Shift Values>> N :: 120.52(4.2) 1.Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.24 K 0.22 R 0.07 E 0.06 I 0.03 M 0.01 C Shift Assignments>> C :: 178.411 CA :: 58.782 CB :: 28.147 CG :: 33.973 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 :: 7.796 HA :: 3.986 HB2 :: 2.163 HB3 :: 2.163 HG2 :: 2.443 HG3 :: 2.363 HE21 :: 6.829 HE22 :: 7.474 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 :: 118.263 NE2 :: 113.152 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>> C 0.32 E 0.27 K 0.15 Q 0.14 I 0.07 M 0.01 C Shift Assignments>> C :: 178.705 CA :: 58.820 CB :: 29.173 CG :: 35.298 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 :: 7.727 HA :: 4.082 HB2 :: 2.046 HB3 :: 2.046 HG2 :: 2.273 HG3 :: 2.273 HE21 :: 7.562 HE22 :: 6.821 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.959 NE2 :: 112.203 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.43 C Shift Assignments>> C :: 178.984 CA :: 58.492 CB :: 41.379 CG :: 26.449 CD1 :: 23.668 CD2 :: 24.239 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.465 HA :: 3.734 HB2 :: 1.357 HB3 :: 1.744 HG :: 1.463 HD11 :: 0.299 HD12 :: 0.299 HD13 :: 0.299 HD21 :: 0.328 HD22 :: 0.328 HD23 :: 0.328 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 :: 119.965 Ave N Shift Values>> N :: 121.86(3.9) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.22 C 0.17 N 0.1 D 0.09 I 0.05 L 0.04 E 0.03 M 0.01 C Shift Assignments>> C :: 178.309 CA :: 56.403 CB :: 38.638 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.091 HA :: 4.401 HB2 :: 2.759 HB3 :: 2.759 HD21 :: 6.406 HD22 :: 7.336 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 :: 117.793 ND2 :: 112.054 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.23 C 0.17 N 0.09 D 0.08 I 0.05 L 0.04 E 0.03 M 0.01 C Shift Assignments>> C :: 178.328 CA :: 56.547 CB :: 38.649 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 :: 8.362 HA :: 4.405 HB2 :: 2.913 HB3 :: 2.700 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.133 Ave N Shift Values>> N :: 120.65(3.86) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.34 R 0.1 G 0.01 C Shift Assignments>> C :: 178.826 CA :: 57.027 CB :: 42.210 CG :: 26.928 CD1 :: 26.215 CD2 :: 23.999 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 :: 8.143 HA :: 4.039 HB2 :: 1.976 HB3 :: 1.429 HG :: 1.709 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 0.912 HD22 :: 0.912 HD23 :: 0.912 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 :: 119.160 Ave N Shift Values>> N :: 121.86(3.9) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.24 R 0.09 E 0.04 M 0.02 I 0.01 C Shift Assignments>> C :: 177.640 CA :: 57.714 CB :: 28.138 CG :: 33.719 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 :: 8.111 HA :: 3.961 HB2 :: 2.061 HB3 :: 2.061 HG2 :: 2.437 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 :: 118.813 Ave N Shift Values>> N :: 120.67(3.48) 1.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.4 C 0.01 I 0.01 HN Overlap>> 1.L17 1.L17 C Shift Assignments>> C :: 179.126 CA :: 54.033 CB :: 17.980 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 :: 4.122 HB1 :: 1.440 HB2 :: 1.440 HB3 :: 1.440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.549 Ave N Shift Values>> N :: 123.23(3.54) 1.C98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.18 F 0.15 Y 0.11 D 0.09 R 0.08 C 0.07 I 0.01 HN Overlap>> 1.F43 1.F43 C Shift Assignments>> C :: 175.363 CA :: 57.166 CB :: 41.879 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.597 HA :: 4.450 HB2 :: 3.193 HB3 :: 3.241 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 :: 115.510 Ave N Shift Values>> N :: 120.17(4.64) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 177.357 CA :: 64.583 CB :: 32.031 CG1 :: 21.092 CG2 :: 21.691 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 :: 7.828 HA :: 3.794 HB :: 2.081 HG11 :: 0.835 HG12 :: 0.835 HG13 :: 0.835 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 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 :: 121.713 Ave N Shift Values>> N :: 121.14(4.54) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 176.827 CA :: 62.238 CB :: 38.278 CG1 :: 27.767 CG2 :: 17.526 CD1 :: 12.741 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 :: 8.067 HA :: 3.924 HB :: 1.820 HG12 :: 1.155 HG13 :: 1.450 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 HD11 :: 0.756 HD12 :: 0.756 HD13 :: 0.756 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.333 Ave N Shift Values>> N :: 121.46(4.28) 1.Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 Q 0.28 C 0.24 M 0.07 R 0.07 E 0.02 HN Overlap>> 1.E146 1.E146 C Shift Assignments>> C :: 176.438 CA :: 56.320 CB :: 29.011 CG :: 33.164 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 :: 8.062 HA :: 4.226 HB2 :: 2.039 HB3 :: 2.120 HG2 :: 2.425 HG3 :: 2.425 HE21 :: 6.815 HE22 :: 7.439 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 :: 121.864 NE2 :: 111.740 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.855 CA :: 45.159 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.087 HA2 :: 3.826 HA3 :: 4.028 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.288 Ave N Shift Values>> N :: 109.67(3.87) 1.V103 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 :: 176.299 CA :: 62.499 CB :: 32.854 CG1 :: 21.063 CG2 :: 20.945 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 :: 8.079 HA :: 4.074 HB :: 2.023 HG11 :: 0.894 HG12 :: 0.894 HG13 :: 0.894 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.932 Ave N Shift Values>> N :: 121.14(4.54) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.694 CA :: 45.402 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.446 HA2 :: 4.020 HA3 :: 3.797 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.028 Ave N Shift Values>> N :: 109.67(3.87) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.963 CA :: 62.136 CB :: 32.814 CG1 :: 21.002 CG2 :: 20.245 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 :: 7.867 HA :: 4.188 HB :: 2.078 HG11 :: 0.897 HG12 :: 0.897 HG13 :: 0.897 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.439 Ave N Shift Values>> N :: 121.14(4.54) 1.T106 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 A 0.01 C Shift Assignments>> C :: 173.731 CA :: 59.419 CB :: 79.536(S) CG2 :: 21.247 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 :: 8.565 HA :: 4.548 HB :: 4.230 HG21 :: 1.160 HG22 :: 1.160 HG23 :: 1.160 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 :: 116.366 Ave N Shift Values>> N :: 115.42(4.75) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.26 M 0.24 K 0.18 E 0.01 C Shift Assignments>> C :: 175.639 CA :: 55.711 CB :: 30.499 CG :: 32.938 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 :: 8.410 HA :: 4.462 HB2 :: 1.950 HB3 :: 1.941 HG2 :: 2.376 HG3 :: 2.376 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 :: 119.743 Ave N Shift Values>> N :: 120.67(3.48) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.2 C Shift Assignments>> CA :: 60.348 CB :: 68.544 CG2 :: 22.147 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 :: 8.155 HA :: 4.448 HB :: 4.508 HG21 :: 1.353 HG22 :: 1.353 HG23 :: 1.353 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 :: 114.402 Ave N Shift Values>> N :: 115.42(4.75) 1.P109 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 :: 178.666 CA :: 65.376 CB :: 31.848 CG :: 28.020 CD :: 50.600 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 :: 4.238 HB2 :: 2.297 HB3 :: 1.848 HG2 :: 1.956 HG3 :: 2.084 HD2 :: 3.852 HD3 :: 3.852 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.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 C 0.25 HN Overlap>> 1.Q20 1.Q20 C Shift Assignments>> C :: 178.293 CA :: 56.686 CB :: 41.969 CD1 :: 24.182 CD2 :: 24.212 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 :: 8.016 HA :: 4.116 HB2 :: 1.528 HB3 :: 1.528 HD11 :: 0.865 HD12 :: 0.865 HD13 :: 0.865 HD21 :: 0.819 HD22 :: 0.819 HD23 :: 0.819 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.566 Ave N Shift Values>> N :: 121.86(3.9) 1.M111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.45 A 0.01 C Shift Assignments>> C :: 178.720 CA :: 58.144 CB :: 32.374 CG :: 32.748 CE :: 17.263 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 :: 7.705 HA :: 4.210 HB2 :: 2.517 HB3 :: 2.517 HG2 :: 2.539 HG3 :: 2.539 HE1 :: 2.071 HE2 :: 2.071 HE3 :: 2.071 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.982 Ave N Shift Values>> N :: 120.09(3.57) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.42 R 0.07 C Shift Assignments>> C :: 178.000 CA :: 56.305 CB :: 32.367 CD :: 29.614 CE :: 41.985 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 :: 8.257 HA :: 4.108 HB2 :: 1.718 HB3 :: 1.867 HD2 :: 1.491 HD3 :: 1.491 HE2 :: 2.842 HE3 :: 2.842 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 :: 121.377 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.26 K 0.23 R 0.08 E 0.06 I 0.02 M 0.01 HN Overlap>> 1.I53 1.I53 C Shift Assignments>> C :: 178.289 CA :: 58.253 CB :: 28.138 CG :: 33.901 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 :: 8.270 HA :: 4.066 HB2 :: 2.081 HB3 :: 2.081 HG2 :: 2.384 HG3 :: 2.384 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 :: 119.104 Ave N Shift Values>> N :: 120.67(3.48) 1.D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.19 C 0.18 N 0.13 D 0.07 E 0.06 I 0.04 L 0.03 M 0.02 HN Overlap>> 1.H7 1.H7 C Shift Assignments>> C :: 178.365 CA :: 56.108 CB :: 38.235 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 :: 8.618 HA :: 4.288 HB2 :: 2.707 HB3 :: 2.659 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 :: 119.224 Ave N Shift Values>> N :: 120.65(3.86) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.986 CA :: 61.588 CB :: 62.653 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.181 HA :: 4.200 HB2 :: 3.787 HB3 :: 3.787 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.195 Ave N Shift Values>> N :: 116.28(3.52) 1.I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 178.367 CA :: 64.817 CB :: 37.418 CG1 :: 29.124 CG2 :: 16.810 CD1 :: 12.482 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 :: 7.773 HA :: 3.626 HB :: 2.014 HG12 :: 1.596 HG13 :: 1.181 HG21 :: 0.763 HG22 :: 0.763 HG23 :: 0.763 HD11 :: 0.722 HD12 :: 0.722 HD13 :: 0.722 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.340 Ave N Shift Values>> N :: 121.46(4.28) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.41 R 0.01 C Shift Assignments>> C :: 178.746 CA :: 58.143 CB :: 41.586 CG :: 27.053 CD1 :: 24.929 CD2 :: 24.021 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 :: 8.406 HA :: 3.905 HB2 :: 1.648 HB3 :: 1.841 HG :: 1.695 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 HD21 :: 0.845 HD22 :: 0.845 HD23 :: 0.845 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.968 Ave N Shift Values>> N :: 121.86(3.9) 1.A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.04 C 0.02 C Shift Assignments>> C :: 181.633 CA :: 55.313 CB :: 18.110 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.894 HA :: 4.112 HB1 :: 1.473 HB2 :: 1.473 HB3 :: 1.473 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.150 Ave N Shift Values>> N :: 123.23(3.54) 1.V119 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 :: 177.896 CA :: 67.181 CB :: 31.894 CG1 :: 22.271 CG2 :: 23.959 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 :: 7.572 HA :: 3.755 HB :: 2.474 HG11 :: 1.315 HG12 :: 1.315 HG13 :: 1.315 HG21 :: 1.198 HG22 :: 1.198 HG23 :: 1.198 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.873 Ave N Shift Values>> N :: 121.14(4.54) 1.R120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 I 0.2 W 0.15 V 0.09 E 0.06 R 0.05 H 0.04 K 0.04 Q 0.03 P 0.03 C Shift Assignments>> C :: 179.848 CA :: 61.267 CB :: 29.695 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 :: 8.629 HA :: 4.027 HB2 :: 2.076 HB3 :: 2.076 HG2 :: 1.950 HG3 :: 1.950 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 :: 121.436 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.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 V 0.23 W 0.1 K 0.08 R 0.06 P 0.05 H 0.05 E 0.05 M 0.04 Q 0.02 C Shift Assignments>> C :: 178.331 CA :: 60.440 CB :: 32.107 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 :: 9.015 HA :: 4.074 HB2 :: 1.901 HB3 :: 1.940 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 :: 119.589 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.23 Y 0.2 F 0.15 E 0.05 C Shift Assignments>> C :: 176.527 CA :: 60.404 CB :: 37.725 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 :: 7.473 HA :: 4.332 HB2 :: 3.122 HB3 :: 3.583 HD1 :: 6.896 HD2 :: 6.896 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 :: 121.546 Ave N Shift Values>> N :: 120.52(4.2) 1.F123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.14 F 0.09 Y 0.09 HN Overlap>> 1.S152 1.S152 C Shift Assignments>> C :: 179.005 CA :: 63.528 CB :: 39.331 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 :: 7.932 HA :: 3.740 HB2 :: 3.199 HB3 :: 2.919 HD1 :: 7.512 HD2 :: 7.512 HE1 :: 7.548 HE2 :: 7.548 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 :: 116.026 Ave N Shift Values>> N :: 120.45(4.18) 1.Q124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.21 K 0.16 R 0.09 I 0.04 E 0.04 HN Overlap>> 1.L56 1.L56 C Shift Assignments>> C :: 178.772 CA :: 59.316 CB :: 27.631 CG :: 33.875 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 :: 8.470 HA :: 4.179 HB2 :: 2.203 HB3 :: 2.378 HG2 :: 2.398 HG3 :: 2.570 HE21 :: 6.804 HE22 :: 7.480 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.043 NE2 :: 110.404 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 K 0.1 M 0.06 P 0.01 C Shift Assignments>> C :: 180.340 CA :: 61.297 CB :: 30.325 CG :: 30.874 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 :: 8.137 HA :: 4.078 HB2 :: 2.565 HB3 :: 2.565 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 :: 120.342 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.I126 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 176.857 CA :: 65.832 CB :: 37.284 CG1 :: 28.527 CG2 :: 18.726 CD1 :: 12.098 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 :: 7.526 HA :: 3.351 HB :: 1.653 HG12 :: -0.586(S) HG13 :: 0.694 HG21 :: 0.497 HG22 :: 0.497 HG23 :: 0.497 HD11 :: -0.501(S) HD12 :: -0.501(S) HD13 :: -0.501(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.876 Ave N Shift Values>> N :: 121.46(4.28) 1.T127 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 :: 176.645 CA :: 67.294 CB :: 68.871 CG2 :: 21.976 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 :: 8.288 HA :: 3.633 HB :: 4.198 HG21 :: 1.241 HG22 :: 1.241 HG23 :: 1.241 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 :: 115.613 Ave N Shift Values>> N :: 115.42(4.75) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.43 C Shift Assignments>> C :: 178.331 CA :: 58.088 CB :: 41.574 CG :: 27.306 CD1 :: 24.421 CD2 :: 24.321 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 :: 8.263 HA :: 3.956 HB2 :: 1.712 HB3 :: 1.473 HG :: 1.674 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 0.865 HD22 :: 0.865 HD23 :: 0.865 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 :: 122.627 Ave N Shift Values>> N :: 121.86(3.9) 1.Y129 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 :: 176.040 CA :: 61.493 CB :: 38.925 CD1 :: 132.790 CD2 :: 132.790 CE1 :: 118.212 CE2 :: 118.212 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 :: 7.518 HA :: 3.890 HB2 :: 3.245 HB3 :: 2.767 HD1 :: 6.402 HD2 :: 6.402 HE1 :: 6.410 HE2 :: 6.410 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 :: 120.955 Ave N Shift Values>> N :: 120.52(4.2) 1.L130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.62 L 0.33 R 0.02 A 0.01 C Shift Assignments>> C :: 177.948 CA :: 58.113 CB :: 41.586 CG :: 26.512 CD1 :: 21.635 CD2 :: 25.193 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 :: 7.717 HA :: 2.845 HB2 :: 0.264(S) HB3 :: 1.299 HG :: 1.156 HD11 :: -0.501(S) HD12 :: -0.501(S) HD13 :: -0.501(S) HD21 :: -0.070 HD22 :: -0.070 HD23 :: -0.070 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 :: 119.155 Ave N Shift Values>> N :: 121.86(3.9) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.44 R 0.08 C Shift Assignments>> C :: 181.265 CA :: 59.731 CB :: 32.672 CG :: 25.232 CD :: 29.520 CE :: 41.986 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 :: 7.493 HA :: 3.408 HB2 :: 1.764 HB3 :: 1.735 HG2 :: 1.493 HG3 :: 1.306 HD2 :: 1.623 HD3 :: 1.601 HE2 :: 2.923 HE3 :: 2.923 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 :: 116.832 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.25 E 0.07 R 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 178.377 CA :: 58.887 CB :: 28.667 CG :: 33.986 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 :: 8.430 HA :: 3.844 HB2 :: 2.026 HB3 :: 1.881 HG2 :: 2.422 HG3 :: 2.256 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.918 Ave N Shift Values>> N :: 120.67(3.48) 1.K133 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.45 C 0.3 K 0.17 A 0.04 G 0.02 C Shift Assignments>> C :: 175.282 CA :: 54.298 CB :: 31.998 CG :: 23.169 CD :: 27.649 CE :: 42.650 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 :: 7.390 HA :: 3.966 HB2 :: 1.013 HB3 :: 1.696 HG2 :: 0.343(S) HG3 :: 0.743 HD2 :: 1.086 HD3 :: 1.222 HE2 :: 2.600 HE3 :: 2.713 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 :: 116.079 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.3 K 0.19 G 0.01 L 0.01 C Shift Assignments>> C :: 176.271 CA :: 57.308 CB :: 28.802 CG :: 25.297 CD :: 29.453 CE :: 42.352 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 :: 7.716 HA :: 3.582 HB2 :: 1.852 HB3 :: 1.852 HG2 :: 1.258 HG3 :: 1.234 HD2 :: 1.620 HD3 :: 1.620 HE2 :: 2.952 HE3 :: 2.952 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.759 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y135 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 Y 0.26 H 0.03 C Shift Assignments>> C :: 174.148 CA :: 59.715 CB :: 34.706 CD1 :: 133.555 CD2 :: 133.555 CE1 :: 118.050 CE2 :: 118.050 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 :: 8.428 HA :: 2.877 HB2 :: 2.908 HB3 :: 3.318 HD1 :: 6.632 HD2 :: 6.632 HE1 :: 6.519 HE2 :: 6.519 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 :: 110.598 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (HA > HB2 : 0.9923) (HA > HB3 : 0.9965) 1.S136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.108 CB :: 62.500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.744 HA :: 4.553 HB2 :: 4.013 HB3 :: 4.365 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 :: 113.712 Ave N Shift Values>> N :: 116.28(3.52) 1.P137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 180.675 CA :: 65.657 CB :: 31.983 CD :: 50.493 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 :: 4.165 HB2 :: 2.093 HB3 :: 2.093 HD2 :: 3.879 HD3 :: 3.879 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.C138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.24 Y 0.15 F 0.09 M 0.07 I 0.05 N 0.02 K 0.02 C Shift Assignments>> C :: 176.015 CA :: 57.095 CB :: 36.779 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.580 HA :: 4.670 HB2 :: 2.753 HB3 :: 2.893 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 :: 113.914 Ave N Shift Values>> N :: 120.17(4.64) 1.A139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.34 C 0.03 I 0.01 C Shift Assignments>> C :: 180.149 CA :: 54.778 CB :: 18.918 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.087 HA :: 4.449 HB1 :: 1.035 HB2 :: 1.035 HB3 :: 1.035 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.290 Ave N Shift Values>> N :: 123.23(3.54) 1.W140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.43 C Shift Assignments>> C :: 179.137 CA :: 60.534 CB :: 29.258 CD1 :: 127.186 CE3 :: 121.900 CZ2 :: 114.564 CZ3 :: 120.388 CH2 :: 124.654 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 :: 8.505 HA :: 4.602 HB2 :: 3.351 HB3 :: 2.915 HD1 :: 6.773 HE1 :: 9.640 HE3 :: 8.190 HZ2 :: 6.969 HZ3 :: 6.418 HH2 :: 6.963 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 116.599 NE1 :: 126.971 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.27 K 0.26 E 0.07 R 0.05 M 0.02 I 0.01 HN Overlap>> 1.L66 1.L66 C Shift Assignments>> C :: 177.886 CA :: 57.907 CB :: 28.717 CG :: 33.860 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 :: 8.182 HA :: 5.223 HB2 :: 2.138 HB3 :: 2.213 HG2 :: 2.370 HG3 :: 2.370 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.578 Ave N Shift Values>> N :: 120.67(3.48) 1.V142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 180.246 CA :: 66.983 CB :: 31.822 CG1 :: 20.620 CG2 :: 23.367 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.623 HA :: 3.630 HB :: 2.688 HG11 :: 0.996 HG12 :: 0.996 HG13 :: 0.996 HG21 :: 0.958 HG22 :: 0.958 HG23 :: 0.958 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 :: 121.202 Ave N Shift Values>> N :: 121.14(4.54) 1.V143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 HN Overlap>> 1.Q48 1.Q48 C Shift Assignments>> C :: 176.407 CA :: 67.978 CB :: 31.655 CG1 :: 22.283 CG2 :: 25.251 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 :: 8.323 HA :: 3.297 HB :: 2.409 HG11 :: 0.825 HG12 :: 0.825 HG13 :: 0.825 HG21 :: 0.876 HG22 :: 0.876 HG23 :: 0.876 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.119 Ave N Shift Values>> N :: 121.14(4.54) 1.R144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 W 0.16 I 0.15 V 0.09 E 0.08 R 0.06 H 0.05 K 0.04 Q 0.04 P 0.03 M 0.01 C Shift Assignments>> C :: 178.127 CA :: 61.001 CB :: 29.936 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.619 HA :: 3.697 HB2 :: 2.218 HB3 :: 2.464 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.102 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.A145 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 :: 180.763 CA :: 55.375 CB :: 18.185 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.867 HA :: 3.851 HB1 :: 1.484 HB2 :: 1.484 HB3 :: 1.484 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.431 Ave N Shift Values>> N :: 123.23(3.54) 1.E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.25 Q 0.22 R 0.14 M 0.03 E 0.01 HN Overlap>> 1.Q101 1.Q101 C Shift Assignments>> C :: 177.296 CA :: 58.379 CB :: 28.134 CG :: 33.035 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 :: 8.136 HA :: 4.211 HB2 :: 2.070 HB3 :: 2.236 HG2 :: 2.200 HG3 :: 2.200 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.815 Ave N Shift Values>> N :: 120.67(3.48) 1.I147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.38 C Shift Assignments>> C :: 178.283 CA :: 61.253 CB :: 35.339 CG1 :: 28.281 CG2 :: 18.555 CD1 :: 11.087 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 :: 8.736 HA :: 3.970 HB :: 2.194 HG12 :: 1.742 HG13 :: 1.502 HG21 :: 0.925 HG22 :: 0.925 HG23 :: 0.925 HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 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 :: 119.542 Ave N Shift Values>> N :: 121.46(4.28) 1.M148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.32 HN Overlap>> 1.R13 1.R13 1.M59 1.M59 C Shift Assignments>> C :: 178.210 CA :: 60.184 CB :: 32.914 CG :: 32.951 CE :: 17.305 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 :: 8.440 HA :: 3.801 HB2 :: 2.168 HB3 :: 2.013 HG2 :: 2.548 HG3 :: 2.346 HE1 :: 2.052 HE2 :: 2.052 HE3 :: 2.052 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 :: 119.501 Ave N Shift Values>> N :: 120.09(3.57) 1.R149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.42 K 0.05 G 0.04 C Shift Assignments>> C :: 178.978 CA :: 59.863 CB :: 30.280 CG :: 27.380 CD :: 43.058 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 :: 7.648 HA :: 3.915 HB2 :: 2.072 HB3 :: 1.864 HG2 :: 1.316 HG3 :: 1.632 HD2 :: 3.133 HD3 :: 3.242 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 :: 119.734 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.S150 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.292 CA :: 61.316 CB :: 60.288 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.194 HA :: 3.339 HB2 :: 2.180(S) HB3 :: 2.725(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.109 Ave N Shift Values>> N :: 116.28(3.52) 1.F151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 Y 0.19 F 0.17 C 0.16 C Shift Assignments>> C :: 178.696 CA :: 61.420 CB :: 38.886 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.455 HA :: 4.036 HB2 :: 3.011 HB3 :: 3.001 HD1 :: 6.863 HD2 :: 6.863 HE1 :: 7.165 HE2 :: 7.165 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 :: 125.265 Ave N Shift Values>> N :: 120.45(4.18) 1.S152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F123 1.F123 C Shift Assignments>> C :: 175.858 CA :: 62.388 CB :: 62.519 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.839 HA :: 3.880 HB2 :: 3.873 HB3 :: 3.873 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 :: 115.963 Ave N Shift Values>> N :: 116.28(3.52) 1.L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.34 G 0.01 C Shift Assignments>> C :: 179.515 CA :: 57.883 CB :: 42.342 CD1 :: 25.240 CD2 :: 23.551 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 :: 7.775 HA :: 4.081 HB2 :: 1.428 HB3 :: 1.724 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 HD21 :: 0.795 HD22 :: 0.795 HD23 :: 0.795 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 :: 121.365 Ave N Shift Values>> N :: 121.86(3.9) 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 :: 174.312 CA :: 61.366 CB :: 63.242 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.874 HA :: 3.781 HB2 :: 3.310 HB3 :: 3.377 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 :: 113.950 Ave N Shift Values>> N :: 116.28(3.52) 1.T155 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 :: 174.798 CA :: 62.275 CB :: 69.342 CG2 :: 21.675 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 :: 7.176 HA :: 4.060 HB :: 4.031 HG21 :: 0.607 HG22 :: 0.607 HG23 :: 0.607 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 :: 109.346 Ave N Shift Values>> N :: 115.42(4.75) 1.N156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.12 C 0.12 Y 0.1 F 0.09 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 175.528 CA :: 53.937 CB :: 38.338 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 :: 7.749 HA :: 4.527 HB2 :: 2.675 HB3 :: 2.865 HD21 :: 7.484 HD22 :: 6.826 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 :: 119.785 ND2 :: 111.535 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.28 G 0.01 A 0.01 C Shift Assignments>> C :: 174.702 CA :: 55.674 CB :: 42.351 CG :: 25.328 CD1 :: 25.088 CD2 :: 23.788 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 :: 8.097 HA :: 4.255 HB2 :: 1.506 HB3 :: 1.506 HG :: 1.623 HD11 :: 0.755 HD12 :: 0.755 HD13 :: 0.755 HD21 :: 0.759 HD22 :: 0.759 HD23 :: 0.759 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 :: 120.552 Ave N Shift Values>> N :: 121.86(3.9) 1.Q158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.31 C 0.29 R 0.14 Q 0.12 M 0.11 HN Overlap>> 1.D77 1.D77 C Shift Assignments>> C :: 176.434 CA :: 56.897 CB :: 29.010 CG :: 31.805 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 :: 8.230 HA :: 4.180 HB2 :: 1.984 HB3 :: 1.984 HG2 :: 2.317 HG3 :: 2.317 HE21 :: 7.438 HE22 :: 6.746 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 :: 119.860 NE2 :: 111.755 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.15 H 0.13 W 0.12 E 0.12 C 0.11 R 0.1 M 0.03 I 0.02 L 0.01 C Shift Assignments>> C :: 175.251 CA :: 56.695 CB :: 28.981 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 :: 8.300 HA :: 4.219 HB2 :: 1.943 HB3 :: 2.053 HG2 :: 2.367 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 :: 120.461 Ave N Shift Values>> N :: 120.67(3.48) 1.S160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S8 1.S8 C Shift Assignments>> C :: 174.188 CA :: 58.481 CB :: 63.731 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.113 HA :: 4.372 HB2 :: 3.819 HB3 :: 3.819 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 :: 115.719 Ave N Shift Values>> N :: 116.28(3.52) 1.L161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.26 R 0.03 A 0.02 G 0.01 C Shift Assignments>> C :: 177.293 CA :: 55.190 CB :: 42.284 CG :: 26.685 CD1 :: 25.208 CD2 :: 23.141 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 :: 8.032 HA :: 4.280 HB2 :: 1.536 HB3 :: 1.617 HG :: 1.606 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 HD21 :: 0.782 HD22 :: 0.782 HD23 :: 0.782 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 :: 123.794 Ave N Shift Values>> N :: 121.86(3.9) 1.R162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.41 G 0.06 K 0.05 C Shift Assignments>> C :: 176.288 CA :: 57.046 CB :: 30.935 CG :: 27.150 CD :: 43.384 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 :: 8.094 HA :: 4.169 HB2 :: 1.702 HB3 :: 1.811 HG2 :: 1.533 HG3 :: 1.533 HD2 :: 3.132 HD3 :: 3.130 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 :: 120.715 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.S163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.184 CA :: 58.481 CB :: 63.745 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.191 HA :: 4.372 HB2 :: 3.819 HB3 :: 3.819 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 :: 116.670 Ave N Shift Values>> N :: 116.28(3.52) 1.K164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.39 R 0.11 C Shift Assignments>> C :: 175.617 CA :: 56.313 CB :: 32.965 CG :: 24.968 CD :: 29.041 CE :: 42.044 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 :: 8.251 HA :: 4.277 HB2 :: 1.700 HB3 :: 1.817 HG2 :: 1.354 HG3 :: 1.354 HD2 :: 1.644 HD3 :: 1.644 HE2 :: 2.952 HE3 :: 2.952 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 :: 123.100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.25 K 0.25 E 0.11 M 0.06 R 0.02 C Shift Assignments>> CA :: 56.900 CB :: 29.514 CG :: 34.057 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 :: 8.018 HA :: 4.148 HB2 :: 1.873 HB3 :: 2.039 HG2 :: 2.304 HG3 :: 2.304 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.604 Ave N Shift Values>> N :: 120.67(3.48) 2.A2G1 Overall Status: Residue type A2G not supported. ########################################################################### Overall Results: #Consistent: 153 #Clerical: 0 #Suspicious: 10 #Anomalous: 0 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 163 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 163 #Suspicious: 2 C Shift Results: #Consistent: 726 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 H Shift Results: #Consistent:1175 #Duplicate: 0 #Unknown: 0 #Suspicious: 18 #Anomalous: 0 N Shift Results: #Consistent: 177 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.K23 H = 10.212(S), Expected = 8.19, Std = 0.6000, ChiSquare = 7.5168e-04 1.Q62 HB2 = 0.514(S), Expected = 2.05, Std = 0.2500, ChiSquare = 8.0469e-10 1.Q62 HB3 = 0.944(S), Expected = 2.02, Std = 0.2800, ChiSquare = 1.2161e-04 1.K70 CD = 24.490(S), Expected = 28.96, Std = 1.0800, ChiSquare = 3.4899e-05 1.A75 HB1 = -0.287(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.0512e-10 1.A75 HB2 = -0.287(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.0512e-10 1.A75 HB3 = -0.287(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.0512e-10 1.W76 HE1 = 6.772(S), Expected = 10.08, Std = 0.6600, ChiSquare = 5.3833e-07 1.W76 NE1 = 122.020(S), Expected = 129.32, Std = 2.1100, ChiSquare = 5.4075e-04 1.W76 SRO Rule Break>> HE1 > HD1 : 0.993006993006993 1.W76 SRO Rule Break>> HE1 > HZ3 : 0.992378048780488 1.K83 Typing: Mistyped 1.K83 CG = 29.520(S), Expected = 24.89, Std = 1.1300, ChiSquare = 4.1792e-05 1.K83 CE = 38.245(S), Expected = 41.89, Std = 0.8200, ChiSquare = 8.7842e-06 1.T106 Typing: Mistyped 1.T106 CB = 79.536(S), Expected = 69.73, Std = 1.6300, ChiSquare = 1.7883e-09 1.I126 HG12 = -0.586(S), Expected = 1.28, Std = 0.4000, ChiSquare = 3.0862e-06 1.I126 HD11 = -0.501(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.6528e-05 1.I126 HD12 = -0.501(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.6528e-05 1.I126 HD13 = -0.501(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.6528e-05 1.L130 HB2 = 0.264(S), Expected = 1.61, Std = 0.3400, ChiSquare = 7.5320e-05 1.L130 HD11 = -0.501(S), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9007e-06 1.L130 HD12 = -0.501(S), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9007e-06 1.L130 HD13 = -0.501(S), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9007e-06 1.K133 HG2 = 0.343(S), Expected = 1.37, Std = 0.2600, ChiSquare = 7.8151e-05 1.Y135 SRO Rule Break>> HA > HB2 : 0.992304403591278 1.Y135 SRO Rule Break>> HA > HB3 : 0.996503496503496 1.S150 HB2 = 2.180(S), Expected = 3.88, Std = 0.2500, ChiSquare = 1.0462e-11 1.S150 HB3 = 2.725(S), Expected = 3.85, Std = 0.2700, ChiSquare = 3.0909e-05