Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 D 0.05 F 0.04 G 0.04 Y 0.02 I 0.01 C Shift Assignments>> CA :: 43.110 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.935 HA3 :: 3.906 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.724 CA :: 62.673 CB :: 32.000 CG :: 26.744 CD :: 49.420 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.506 HB2 :: 2.277 HB3 :: 1.941 HG2 :: 1.990 HG3 :: 1.990 HD2 :: 3.561 HD3 :: 3.516 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.28 R 0.04 A 0.01 G 0.01 C Shift Assignments>> C :: 177.459 CA :: 55.138 CB :: 42.036 CG :: 26.711 CD1 :: 24.747 CD2 :: 23.659 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.503 HA :: 4.356 HB2 :: 1.636 HB3 :: 1.590 HG :: 1.629 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 HD21 :: 0.849 HD22 :: 0.849 HD23 :: 0.849 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.266 Ave N Shift Values>> N :: 121.98(4.07) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 173.802 CA :: 44.981 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.474 HA2 :: 4.086 HA3 :: 3.994 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.006 Ave N Shift Values>> N :: 109.91(4.29) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.529 CA :: 57.833 CB :: 63.985 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.182 HA :: 4.534 HB2 :: 3.985 HB3 :: 3.871 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.589 Ave N Shift Values>> N :: 116.3(3.95) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.567 CA :: 58.718 CB :: 63.351 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.469 HA :: 4.425 HB2 :: 3.916 HB3 :: 3.874 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.162 Ave N Shift Values>> N :: 116.3(3.95) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 K 0.1 M 0.08 Q 0.06 I 0.04 C Shift Assignments>> C :: 176.163 CA :: 56.618 CB :: 29.918 CG :: 36.125 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.443 HA :: 4.308 HB2 :: 1.944 HB3 :: 2.076 HG2 :: 2.237 HG3 :: 2.237 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.637 Ave N Shift Values>> N :: 120.68(3.68) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 HN Overlap>> 1.E91 1.E91 C Shift Assignments>> C :: 172.014 CA :: 59.183 CB :: 69.658 CG2 :: 21.307 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.007 HA :: 4.585 HB :: 4.148 HG21 :: 1.244 HG22 :: 1.244 HG23 :: 1.244 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.174 Ave N Shift Values>> N :: 115.7(5.05) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.23 C Shift Assignments>> C :: 176.512 CA :: 62.531 CB :: 31.944 CG :: 26.927 CD :: 50.706 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.567 HB2 :: 2.068 HB3 :: 1.878 HG2 :: 1.953 HG3 :: 1.953 HD2 :: 3.805 HD3 :: 3.688 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.22 R 0.15 G 0.07 A 0.02 C Shift Assignments>> C :: 174.949 CA :: 54.284 CB :: 43.168 CG :: 27.303 CD1 :: 26.197 CD2 :: 23.592 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.396 HA :: 4.710 HB2 :: 1.833 HB3 :: 1.477 HG :: 1.833 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.871 HD22 :: 0.871 HD23 :: 0.871 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.394 Ave N Shift Values>> N :: 121.98(4.07) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.36 C 0.17 R 0.02 A 0.01 C Shift Assignments>> C :: 173.907 CA :: 53.607 CB :: 44.969 CG :: 27.264 CD1 :: 25.545 CD2 :: 23.928 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.438 HA :: 5.160 HB2 :: 1.420 HB3 :: 1.781 HG :: 1.470 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 HD21 :: 0.853 HD22 :: 0.853 HD23 :: 0.853 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.387 Ave N Shift Values>> N :: 121.98(4.07) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.24 C 0.12 A 0.02 C Shift Assignments>> C :: 173.985 CA :: 52.512 CB :: 45.332 CG :: 27.231 CD1 :: 25.713 CD2 :: 23.654 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.023 HA :: 5.291 HB2 :: 0.837 HB3 :: 1.810 HG :: 1.173 HD11 :: 0.627 HD12 :: 0.627 HD13 :: 0.627 HD21 :: 0.730 HD22 :: 0.730 HD23 :: 0.730 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.255 Ave N Shift Values>> N :: 121.98(4.07) 1.E13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 E 0.29 M 0.16 I 0.01 K 0.01 C Shift Assignments>> C :: 175.552 CA :: 54.363 CB :: 31.432 CG :: 37.298 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.034 HA :: 5.698(S) HB2 :: 2.106 HB3 :: 1.954 HG2 :: 2.025 HG3 :: 2.319 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.428 Ave N Shift Values>> N :: 120.68(3.68) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.31 I 0.01 C Shift Assignments>> C :: 171.456 CA :: 59.344 CB :: 33.717 CG1 :: 19.111 CG2 :: 22.548 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.632 HA :: 4.576 HB :: 1.938 HG11 :: 0.679 HG12 :: 0.679 HG13 :: 0.679 HG21 :: 0.817 HG22 :: 0.817 HG23 :: 0.817 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.161 Ave N Shift Values>> N :: 121.02(4.96) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.28 D 0.16 E 0.01 C Shift Assignments>> C :: 177.539 CA :: 53.063 CB :: 37.441 CG :: 177.806 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.452 HA :: 4.927 HB2 :: 2.936 HB3 :: 3.320 HD21 :: 7.905 HD22 :: 7.395 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.637 ND2 :: 114.395 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 172.969 CA :: 64.311 CB :: 69.657 CG2 :: 23.647 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.268 HA :: 4.090 HB :: 4.720 HG21 :: 1.319 HG22 :: 1.319 HG23 :: 1.319 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.158 Ave N Shift Values>> N :: 115.7(5.05) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.17 M 0.01 HN Overlap>> 1.V47 1.V47 C Shift Assignments>> C :: 177.599 CA :: 56.813 CB :: 32.697 CG :: 25.526 CD :: 28.690 CE :: 41.601 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.635 HA :: 4.331 HB2 :: 2.178 HB3 :: 1.997 HG2 :: 1.456 HG3 :: 1.311 HD2 :: 1.662 HD3 :: 1.662 HE2 :: 2.821 HE3 :: 2.821 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.082 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.697 CA :: 61.372 CB :: 69.596 CG2 :: 20.493 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.197 HA :: 4.609 HB :: 4.388 HG1 :: 5.221 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 105.105 Ave N Shift Values>> N :: 115.7(5.05) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 1.E58 1.E58 C Shift Assignments>> C :: 172.941 CA :: 63.409 CB :: 69.290 CG2 :: 21.122 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.486 HA :: 4.334 HB :: 3.762 HG1 :: 5.686 HG21 :: 1.157 HG22 :: 1.157 HG23 :: 1.157 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.987 Ave N Shift Values>> N :: 115.7(5.05) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.27 M 0.01 HN Overlap>> 1.E106 1.E106 C Shift Assignments>> C :: 178.541 CA :: 55.436 CB :: 33.617 CG :: 26.078 CD :: 29.653 CE :: 42.015 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.986 HA :: 4.655 HB2 :: 1.634 HB3 :: 2.046 HG2 :: 1.521 HG3 :: 1.166 HD2 :: 1.635 HD3 :: 1.635 HE2 :: 3.047 HE3 :: 3.001 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.380 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 L 0.16 A 0.02 C Shift Assignments>> C :: 178.319 CA :: 58.429 CB :: 39.724 CG :: 26.638 CD1 :: 21.186 CD2 :: 25.338 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.460 HA :: 3.892 HB2 :: 1.418 HB3 :: 2.391 HG :: 1.364 HD11 :: 0.699 HD12 :: 0.699 HD13 :: 0.699 HD21 :: 0.761 HD22 :: 0.761 HD23 :: 0.761 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.487 Ave N Shift Values>> N :: 121.98(4.07) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 C 0.44 G 0.03 C Shift Assignments>> C :: 176.382 CA :: 59.553 CB :: 29.788 CG :: 26.097 CD :: 42.611 CZ :: 159.429 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.207 HA :: 3.574 HB2 :: 1.485 HB3 :: 1.946 HG2 :: 1.476 HG3 :: 1.476 HD2 :: 3.198 HD3 :: 3.094 HE :: 7.789 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.116 NE :: 82.784 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 I 0.24 K 0.03 M 0.01 C Shift Assignments>> C :: 178.552 CA :: 58.863 CB :: 29.641 CG :: 37.305 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.122 HA :: 4.103 HB2 :: 2.206 HB3 :: 1.991 HG2 :: 2.278 HG3 :: 2.225 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.999 Ave N Shift Values>> N :: 120.68(3.68) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.07 C Shift Assignments>> C :: 178.369 CA :: 65.904 CB :: 31.631 CG1 :: 19.888 CG2 :: 22.995 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.010 HA :: 3.406 HB :: 2.076 HG11 :: 0.602 HG12 :: 0.602 HG13 :: 0.602 HG21 :: 0.936 HG22 :: 0.936 HG23 :: 0.936 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.463 Ave N Shift Values>> N :: 121.02(4.96) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 175.965 CA :: 64.067 CB :: 36.002 CG1 :: 27.769 CG2 :: 16.673 CD1 :: 11.587 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.213 HA :: 3.398 HB :: 1.731 HG12 :: 0.974 HG13 :: 0.794 HG21 :: 0.519 HG22 :: 0.519 HG23 :: 0.519 HD11 :: 0.099 HD12 :: 0.099 HD13 :: 0.099 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.678 Ave N Shift Values>> N :: 121.6(4.72) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.17 K 0.07 Q 0.03 M 0.03 HN Overlap>> 1.K30 1.K30 C Shift Assignments>> C :: 178.653 CA :: 59.482 CB :: 29.683 CG :: 36.092 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.482 HA :: 3.876 HB2 :: 1.965 HB3 :: 1.965 HG2 :: 2.340 HG3 :: 2.200 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.645 Ave N Shift Values>> N :: 120.68(3.68) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.36 R 0.23 M 0.01 C Shift Assignments>> C :: 176.977 CA :: 58.881 CB :: 32.705 CG :: 26.112 CD :: 29.222 CE :: 41.914 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.171 HA :: 4.122 HB2 :: 1.963 HB3 :: 1.671 HG2 :: 1.634 HG3 :: 1.424 HD2 :: 1.582 HD3 :: 1.582 HE2 :: 2.959 HE3 :: 2.959 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.846 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 I 0.04 A 0.01 C Shift Assignments>> C :: 176.000 CA :: 59.007 CB :: 35.482 CG1 :: 26.111 CG2 :: 17.234 CD1 :: 8.009 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.329 HA :: 4.194 HB :: 2.506 HG12 :: 1.650 HG13 :: 1.233 HG21 :: 0.638 HG22 :: 0.638 HG23 :: 0.638 HD11 :: 0.510 HD12 :: 0.510 HD13 :: 0.510 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 113.823 Ave N Shift Values>> N :: 121.6(4.72) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 175.142 CA :: 65.363 CB :: 36.991 CG1 :: 28.910 CG2 :: 18.673 CD1 :: 12.902 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.641 HA :: 3.345 HB :: 2.265 HG12 :: 1.323 HG13 :: 0.947 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 HD11 :: 0.582 HD12 :: 0.582 HD13 :: 0.582 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.911 Ave N Shift Values>> N :: 121.6(4.72) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.23 M 0.01 HN Overlap>> 1.E26 1.E26 C Shift Assignments>> C :: 179.028 CA :: 58.739 CB :: 31.817 CG :: 25.707 CD :: 29.425 CE :: 41.979 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.486 HA :: 4.324 HB2 :: 1.780 HB3 :: 1.955 HG2 :: 1.373 HG3 :: 1.373 HD2 :: 1.604 HD3 :: 1.558 HE2 :: 2.881 HE3 :: 2.615 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.661 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.168 CA :: 61.463 CB :: 62.721 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.882 HA :: 4.194 HB2 :: 3.987 HB3 :: 3.873 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 109.155 Ave N Shift Values>> N :: 116.3(3.95) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.21 M 0.02 C Shift Assignments>> C :: 177.346 CA :: 57.985 CB :: 32.069 CG :: 24.848 CD :: 28.765 CE :: 41.817 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.901 HA :: 4.376 HB2 :: 1.988 HB3 :: 1.525 HG2 :: 1.494 HG3 :: 1.420 HD2 :: 1.530 HD3 :: 1.530 HE2 :: 2.964 HE3 :: 2.964 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.168 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.38 A 0.22 C Shift Assignments>> C :: 177.219 CA :: 55.011 CB :: 40.229 CG :: 26.174 CD1 :: 25.390 CD2 :: 21.266 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.546 HA :: 3.997 HB2 :: 2.250 HB3 :: 1.219 HG :: 1.223 HD11 :: 0.520 HD12 :: 0.520 HD13 :: 0.520 HD21 :: 0.039 HD22 :: 0.039 HD23 :: 0.039 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.224 Ave N Shift Values>> N :: 121.98(4.07) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 174.457 CA :: 46.126 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.877 HA2 :: 3.829 HA3 :: 3.829 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.819 Ave N Shift Values>> N :: 109.91(4.29) 1.M35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 C 0.35 Q 0.17 E 0.05 K 0.04 HN Overlap>> 1.L64 1.L64 C Shift Assignments>> C :: 173.693 CA :: 55.583 CB :: 32.049 CG :: 33.156 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.673 HA :: 4.183 HB2 :: 1.651 HB3 :: 1.651 HG2 :: 2.356 HG3 :: 2.104 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.513 Ave N Shift Values>> N :: 120.1(3.88) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.33 C 0.25 C Shift Assignments>> C :: 174.615 CA :: 54.661 CB :: 39.947 CG :: 176.266 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.992 HA :: 4.581 HB2 :: 2.782 HB3 :: 2.743 HD21 :: 7.573 HD22 :: 6.863 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.180 ND2 :: 113.559 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 C 0.14 G 0.06 A 0.02 R 0.01 HN Overlap>> 1.S44 1.S44 C Shift Assignments>> CA :: 51.854 CB :: 42.597 CG :: 26.113 CD1 :: 25.150 CD2 :: 23.788 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.795 HA :: 4.765 HB2 :: 1.618 HB3 :: 1.618 HG :: 1.439 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 HD21 :: 0.845 HD22 :: 0.845 HD23 :: 0.845 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.068 Ave N Shift Values>> N :: 121.98(4.07) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.39 G 0.01 C Shift Assignments>> C :: 174.992 CA :: 62.580 CB :: 33.357 CG :: 26.239 CD :: 48.899 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.818 HB2 :: 1.740 HB3 :: 1.533 HG2 :: 2.085 HG3 :: 1.592 HD2 :: 3.899 HD3 :: 3.299 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.25 R 0.16 G 0.13 C Shift Assignments>> C :: 176.072 CA :: 54.625 CB :: 43.664 CG :: 27.943 CD1 :: 24.966 CD2 :: 25.485 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.804 HA :: 4.911 HB2 :: 1.604 HB3 :: 1.643 HG :: 1.591 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 HD21 :: 0.841 HD22 :: 0.841 HD23 :: 0.841 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.872 Ave N Shift Values>> N :: 121.98(4.07) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 HN Overlap>> 1.E49 1.E49 C Shift Assignments>> C :: 173.933 CA :: 61.195 CB :: 33.229 CG1 :: 21.179 CG2 :: 20.514 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.841 HA :: 4.776 HB :: 2.001 HG11 :: 0.718 HG12 :: 0.718 HG13 :: 0.718 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.867 Ave N Shift Values>> N :: 121.02(4.96) 1.M41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.26 M 0.23 K 0.01 Q 0.01 C Shift Assignments>> C :: 173.788 CA :: 54.020 CB :: 36.729 CG :: 31.831 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.311 HA :: 5.290 HB2 :: 1.834 HB3 :: 1.968 HG2 :: 2.251 HG3 :: 2.251 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 127.469 Ave N Shift Values>> N :: 120.1(3.88) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 176.867 CA :: 60.250 CB :: 38.371 CG1 :: 28.070 CG2 :: 18.337 CD1 :: 15.027 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.644 HA :: 4.492 HB :: 1.724 HG12 :: 1.402 HG13 :: 1.115 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 HD11 :: 0.785 HD12 :: 0.785 HD13 :: 0.785 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.315 Ave N Shift Values>> N :: 121.6(4.72) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 174.419 CA :: 46.960 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.251 HA2 :: 4.082 HA3 :: 3.634 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.738 Ave N Shift Values>> N :: 109.91(4.29) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L37 1.L37 C Shift Assignments>> C :: 173.849 CA :: 57.919 CB :: 63.473 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.791 HA :: 4.620 HB2 :: 4.042 HB3 :: 3.869 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.065 Ave N Shift Values>> N :: 116.3(3.95) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 173.011 CA :: 62.526 CB :: 69.338 CG2 :: 21.133 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.348 HA :: 4.304 HB :: 4.224 HG21 :: 1.110 HG22 :: 1.110 HG23 :: 1.110 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.323 Ave N Shift Values>> N :: 115.7(5.05) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.3 R 0.17 G 0.01 K 0.01 C Shift Assignments>> C :: 176.568 CA :: 55.827 CB :: 42.330 CG :: 27.856 CD1 :: 24.511 CD2 :: 25.407 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.979 HA :: 4.457 HB2 :: 1.735 HB3 :: 1.696 HG :: 1.486 HD11 :: 0.902 HD12 :: 0.902 HD13 :: 0.902 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 131.334 Ave N Shift Values>> N :: 121.98(4.07) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 HN Overlap>> 1.K17 1.K17 C Shift Assignments>> C :: 174.302 CA :: 60.874 CB :: 33.255 CG1 :: 21.490 CG2 :: 19.384 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.682 HA :: 4.583 HB :: 2.174 HG11 :: 1.011 HG12 :: 1.011 HG13 :: 1.011 HG21 :: 0.834 HG22 :: 0.834 HG23 :: 0.834 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.177 Ave N Shift Values>> N :: 121.02(4.96) 1.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.31 C 0.23 G 0.02 C Shift Assignments>> C :: 170.753 CA :: 60.718 CB :: 42.258 CD1 :: 130.482 CD2 :: 130.482 CE1 :: 131.787 CE2 :: 131.787 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.398 HA :: 3.761 HB2 :: 3.176 HB3 :: 2.183 HD1 :: 6.959 HD2 :: 6.959 HE1 :: 7.233 HE2 :: 7.233 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.806 Ave N Shift Values>> N :: 120.69(4.18) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 M 0.33 E 0.19 Q 0.04 HN Overlap>> 1.V40 1.V40 C Shift Assignments>> C :: 171.702 CA :: 54.846 CB :: 32.529 CG :: 35.623 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.843 HA :: 4.211 HB2 :: 1.637 HB3 :: 1.637 HG2 :: 1.939 HG3 :: 1.845 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.903 Ave N Shift Values>> N :: 120.68(3.68) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.18 R 0.15 C 0.12 G 0.12 K 0.04 N 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 175.190 CA :: 52.436 CB :: 43.210 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.968 HA :: 4.460 HB2 :: 2.584 HB3 :: 2.519 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.406 Ave N Shift Values>> N :: 120.73(4.2) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.501 CA :: 44.661 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.135 HA2 :: 4.035 HA3 :: 3.827 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.105 Ave N Shift Values>> N :: 109.91(4.29) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 M 0.1 K 0.1 Q 0.07 I 0.03 C Shift Assignments>> C :: 177.108 CA :: 56.460 CB :: 30.105 CG :: 36.020 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.281 HA :: 4.295 HB2 :: 2.021 HB3 :: 1.920 HG2 :: 2.231 HG3 :: 2.231 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.241 Ave N Shift Values>> N :: 120.68(3.68) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.311 CA :: 45.354 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.676 HA2 :: 3.915 HA3 :: 3.836 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.689 Ave N Shift Values>> N :: 109.91(4.29) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.22 R 0.06 A 0.05 G 0.03 C Shift Assignments>> C :: 177.738 CA :: 54.293 CB :: 42.517 CG :: 26.498 CD1 :: 25.820 CD2 :: 22.883 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.494 HA :: 4.325 HB2 :: 1.682 HB3 :: 1.478 HG :: 1.525 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 HD21 :: 0.750 HD22 :: 0.750 HD23 :: 0.750 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.957 Ave N Shift Values>> N :: 121.98(4.07) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.11 M 0.07 Q 0.06 I 0.04 C Shift Assignments>> C :: 177.335 CA :: 56.077 CB :: 29.740 CG :: 36.171 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.861 HA :: 4.259 HB2 :: 1.917 HB3 :: 2.268 HG2 :: 2.452 HG3 :: 2.338 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.308 Ave N Shift Values>> N :: 120.68(3.68) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.21 K 0.07 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.467 CA :: 59.791 CB :: 29.571 CG :: 36.128 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.844 HA :: 3.943 HB2 :: 2.039 HB3 :: 2.039 HG2 :: 2.335 HG3 :: 2.280 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.436 Ave N Shift Values>> N :: 120.68(3.68) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.21 C 0.19 D 0.12 L 0.07 N 0.06 I 0.04 E 0.01 K 0.01 C Shift Assignments>> C :: 178.101 CA :: 56.550 CB :: 39.451 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.862 HA :: 4.361 HB2 :: 2.619 HB3 :: 2.619 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.370 Ave N Shift Values>> N :: 120.73(4.2) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.12 K 0.1 Q 0.04 M 0.02 HN Overlap>> 1.T19 1.T19 C Shift Assignments>> C :: 177.302 CA :: 58.226 CB :: 29.209 CG :: 36.172 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.406 HA :: 3.871 HB2 :: 2.030 HB3 :: 1.850 HG2 :: 2.187 HG3 :: 2.187 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.029 Ave N Shift Values>> N :: 120.68(3.68) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.39 I 0.03 C 0.02 C Shift Assignments>> C :: 180.240 CA :: 54.841 CB :: 17.852 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.249 HA :: 4.044 HB1 :: 1.444 HB2 :: 1.444 HB3 :: 1.444 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.380 Ave N Shift Values>> N :: 123.23(3.7) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.43 I 0.02 C 0.02 C Shift Assignments>> C :: 179.916 CA :: 54.531 CB :: 17.697 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.072 HA :: 4.179 HB1 :: 1.470 HB2 :: 1.470 HB3 :: 1.470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.470 Ave N Shift Values>> N :: 123.23(3.7) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 N 0.37 D 0.1 C Shift Assignments>> C :: 177.610 CA :: 55.810 CB :: 37.908 CG :: 175.780 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.616 HA :: 4.461 HB2 :: 2.699 HB3 :: 2.637 HD21 :: 7.293 HD22 :: 6.891 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.731 ND2 :: 113.339 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Y 0.47 H 0.02 C Shift Assignments>> C :: 177.625 CA :: 58.977 CB :: 36.275 CD1 :: 131.732 CD2 :: 131.732 CE1 :: 118.219 CE2 :: 118.219 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.090 HA :: 4.752 HB2 :: 3.107 HB3 :: 3.414 HD1 :: 6.972 HD2 :: 6.972 HE1 :: 6.587 HE2 :: 6.587 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.517 Ave N Shift Values>> N :: 120.79(4.69) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 181.113 CA :: 55.000 CB :: 17.483 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.169 HA :: 4.289 HB1 :: 1.595 HB2 :: 1.595 HB3 :: 1.595 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.779 Ave N Shift Values>> N :: 123.23(3.7) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.37 R 0.01 HN Overlap>> 1.M35 1.M35 C Shift Assignments>> C :: 180.423 CA :: 57.289 CB :: 41.313 CG :: 26.350 CD1 :: 24.856 CD2 :: 22.871 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.726 HA :: 4.187 HB2 :: 2.034 HB3 :: 1.556 HG :: 1.848 HD11 :: 0.964 HD12 :: 0.964 HD13 :: 0.964 HD21 :: 0.917 HD22 :: 0.917 HD23 :: 0.917 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.496 Ave N Shift Values>> N :: 121.98(4.07) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 N 0.13 D 0.01 C Shift Assignments>> C :: 177.175 CA :: 55.169 CB :: 36.734 CG :: 173.987 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.206 HA :: 4.359 HB2 :: 3.482 HB3 :: 2.667 HD21 :: 8.402 HD22 :: 7.151 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.366 ND2 :: 107.512 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.33 R 0.03 G 0.03 C Shift Assignments>> C :: 177.175 CA :: 57.668 CB :: 42.556 CG :: 25.968 CD1 :: 25.034 CD2 :: 22.602 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.776 HA :: 3.767 HB2 :: 2.242 HB3 :: 1.259 HG :: 1.996 HD11 :: 0.955 HD12 :: 0.955 HD13 :: 0.955 HD21 :: 0.197 HD22 :: 0.197 HD23 :: 0.197 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.258 Ave N Shift Values>> N :: 121.98(4.07) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.25 Q 0.16 K 0.14 M 0.12 C Shift Assignments>> C :: 175.732 CA :: 54.410 CB :: 29.911 CG :: 35.306 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 6.921 HA :: 4.421 HB2 :: 1.843 HB3 :: 2.459 HG2 :: 2.474 HG3 :: 2.298 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 111.823 Ave N Shift Values>> N :: 120.68(3.68) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.32 R 0.27 M 0.02 G 0.01 C Shift Assignments>> C :: 176.596 CA :: 55.477 CB :: 33.335 CG :: 25.573 CD :: 29.705 CE :: 42.388 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.552 HA :: 4.443 HB2 :: 2.014 HB3 :: 1.713 HG2 :: 1.747 HG3 :: 1.487 HD2 :: 1.827 HD3 :: 1.827 HE2 :: 2.988 HE3 :: 2.916 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.875 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 178.072 CA :: 60.541 CB :: 32.150 CG1 :: 21.338 CG2 :: 18.882 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.249 HA :: 4.571 HB :: 1.906 HG11 :: 0.803 HG12 :: 0.803 HG13 :: 0.803 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.475 Ave N Shift Values>> N :: 121.02(4.96) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 L 0.3 A 0.02 C Shift Assignments>> C :: 178.793 CA :: 57.823 CB :: 39.790 CG :: 26.199 CD1 :: 26.117 CD2 :: 21.518 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.910 HA :: 3.846 HB2 :: 2.064 HB3 :: 1.816 HG :: 1.946 HD11 :: 0.760 HD12 :: 0.760 HD13 :: 0.760 HD21 :: 0.697 HD22 :: 0.697 HD23 :: 0.697 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.004 Ave N Shift Values>> N :: 121.98(4.07) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.33 C 0.02 C Shift Assignments>> C :: 176.825 CA :: 53.747 CB :: 19.019 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.506 HA :: 4.082 HB1 :: 1.296 HB2 :: 1.296 HB3 :: 1.296 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.880 Ave N Shift Values>> N :: 123.23(3.7) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.33 K 0.11 M 0.08 Q 0.07 I 0.01 C Shift Assignments>> C :: 175.469 CA :: 54.434 CB :: 29.627 CG :: 36.095 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.032 HA :: 4.501 HB2 :: 1.772 HB3 :: 2.360 HG2 :: 2.206 HG3 :: 2.072 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.446 Ave N Shift Values>> N :: 120.68(3.68) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.27 R 0.1 K 0.01 G 0.01 C Shift Assignments>> C :: 174.291 CA :: 54.325 CB :: 41.933 CG :: 26.822 CD1 :: 26.918 CD2 :: 25.014 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.061 HA :: 4.167 HB2 :: 2.115 HB3 :: 1.227 HG :: 2.102 HD11 :: 1.095 HD12 :: 1.095 HD13 :: 1.095 HD21 :: 1.046 HD22 :: 1.046 HD23 :: 1.046 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.730 Ave N Shift Values>> N :: 121.98(4.07) 1.P74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 C 0.1 C Shift Assignments>> C :: 177.371 CA :: 65.239 CB :: 31.469 CG :: 27.928 CD :: 50.032 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.170 HB2 :: 1.784 HB3 :: 2.445 HG2 :: 2.227 HG3 :: 2.227 HD2 :: 3.609 HD3 :: 3.455 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.7 G 0.23 M 0.03 C 0.02 C Shift Assignments>> C :: 172.380 CA :: 48.503 CB :: 19.216 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.062(S) HA :: 4.871 HB1 :: 1.205 HB2 :: 1.205 HB3 :: 1.205 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.717 Ave N Shift Values>> N :: 123.23(3.7) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 175.451 CA :: 63.668 CB :: 32.645 CG :: 26.923 CD :: 50.182 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.834 HB2 :: 2.243 HB3 :: 1.721 HG2 :: 1.974 HG3 :: 1.974 HD2 :: 3.639 HD3 :: 3.596 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 173.071 CA :: 61.878 CB :: 30.465 CG1 :: 22.443 CG2 :: 22.700 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.748 HA :: 4.116 HB :: 1.984 HG11 :: 0.964 HG12 :: 0.964 HG13 :: 0.964 HG21 :: 0.827 HG22 :: 0.827 HG23 :: 0.827 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.057 Ave N Shift Values>> N :: 121.02(4.96) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 V 0.04 A 0.04 I 0.02 C Shift Assignments>> C :: 175.384 CA :: 57.850 CB :: 34.931 CG1 :: 22.001 CG2 :: 17.222 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.639 HA :: 4.667 HB :: 2.367 HG11 :: 0.812 HG12 :: 0.812 HG13 :: 0.812 HG21 :: 0.712 HG22 :: 0.712 HG23 :: 0.712 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.665 Ave N Shift Values>> N :: 121.02(4.96) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 N 0.26 D 0.19 C Shift Assignments>> C :: 175.249 CA :: 56.517 CB :: 39.261 CG :: 175.643 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.494 HA :: 4.241 HB2 :: 2.783 HB3 :: 2.746 HD21 :: 7.864 HD22 :: 7.098 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.538 ND2 :: 116.294 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.22 F 0.19 D 0.09 N 0.09 E 0.05 I 0.05 L 0.03 M 0.01 C Shift Assignments>> C :: 175.709 CA :: 56.415 CB :: 38.671 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.963 HA :: 4.522 HB2 :: 2.984 HB3 :: 2.984 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.772 Ave N Shift Values>> N :: 120.73(4.2) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 171.777 CA :: 64.559 CB :: 69.503 CG2 :: 23.191 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.050 HA :: 4.176 HB :: 4.044 HG1 :: 5.169 HG21 :: 1.345 HG22 :: 1.345 HG23 :: 1.345 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.473 Ave N Shift Values>> N :: 115.7(5.05) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.38 R 0.09 M 0.02 C Shift Assignments>> C :: 175.744 CA :: 54.735 CB :: 33.771 CG :: 24.409 CD :: 28.930 CE :: 41.767 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.327 HA :: 5.149 HB2 :: 1.708 HB3 :: 1.708 HG2 :: 1.367 HG3 :: 1.220 HD2 :: 1.647 HD3 :: 1.647 HE2 :: 2.944 HE3 :: 2.944 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.549 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 G 0.28 C 0.16 R 0.01 A 0.01 C Shift Assignments>> C :: 176.157 CA :: 53.318 CB :: 44.276 CG :: 26.583 CD1 :: 24.790 CD2 :: 24.099 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.412 HA :: 4.944 HB2 :: 1.566 HB3 :: 1.386 HG :: 1.591 HD11 :: 0.625 HD12 :: 0.625 HD13 :: 0.625 HD21 :: 0.607 HD22 :: 0.607 HD23 :: 0.607 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.952 Ave N Shift Values>> N :: 121.98(4.07) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 172.691 CA :: 62.208 CB :: 69.951 CG2 :: 21.335 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.226 HA :: 4.824 HB :: 4.035 HG21 :: 1.167 HG22 :: 1.167 HG23 :: 1.167 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.788 Ave N Shift Values>> N :: 115.7(5.05) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.47 C Shift Assignments>> C :: 173.908 CA :: 59.453 CB :: 33.773 CG1 :: 22.408 CG2 :: 20.910 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.812 HA :: 5.320 HB :: 1.906 HG11 :: 0.870 HG12 :: 0.870 HG13 :: 0.870 HG21 :: 0.731 HG22 :: 0.731 HG23 :: 0.731 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.124 Ave N Shift Values>> N :: 121.02(4.96) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.31 E 0.09 Q 0.02 HN Overlap>> 1.I98 1.I98 C Shift Assignments>> C :: 173.892 CA :: 54.090 CB :: 33.604 CG :: 35.571 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.611 HA :: 4.997 HB2 :: 1.847 HB3 :: 1.749 HG2 :: 2.099 HG3 :: 2.019 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.769 Ave N Shift Values>> N :: 120.68(3.68) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.2 R 0.17 C 0.12 D 0.12 K 0.02 F 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 176.922 CA :: 52.835 CB :: 43.688 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.422 HA :: 4.990 HB2 :: 2.710 HB3 :: 2.323 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.066 Ave N Shift Values>> N :: 120.73(4.2) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.32 C 0.26 C Shift Assignments>> C :: 177.516 CA :: 59.703 CB :: 38.908 CD1 :: 131.158 CD2 :: 131.158 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.027 HA :: 4.451 HB2 :: 3.202 HB3 :: 3.152 HD1 :: 7.298 HD2 :: 7.298 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.156 Ave N Shift Values>> N :: 120.69(4.18) 1.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.38 E 0.2 C Shift Assignments>> C :: 177.254 CA :: 57.926 CB :: 28.504 CG :: 34.259 CD :: 179.913 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.753 HA :: 4.154 HB2 :: 2.246 HB3 :: 2.185 HG2 :: 2.343 HG3 :: 2.306 HE21 :: 7.584 HE22 :: 6.858 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.954 NE2 :: 112.134 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 C 0.37 E 0.22 C Shift Assignments>> C :: 174.738 CA :: 55.459 CB :: 30.267 CG :: 34.464 CD :: 179.664 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.300 HA :: 4.280 HB2 :: 1.689 HB3 :: 2.205 HG2 :: 2.479 HG3 :: 2.303 HE21 :: 7.861 HE22 :: 6.965 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.306 NE2 :: 112.371 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.21 I 0.14 K 0.07 Q 0.02 L 0.01 HN Overlap>> 1.T8 1.T8 C Shift Assignments>> C :: 174.671 CA :: 56.740 CB :: 26.979 CG :: 36.574 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.993 HA :: 3.945 HB2 :: 2.158 HB3 :: 2.103 HG2 :: 2.154 HG3 :: 2.123 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.104 Ave N Shift Values>> N :: 120.68(3.68) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.29 C 0.23 A 0.02 C Shift Assignments>> C :: 175.210 CA :: 53.240 CB :: 46.381 CG :: 26.178 CD1 :: 24.920 CD2 :: 23.848 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.628 HA :: 4.865 HB2 :: 1.466 HB3 :: 1.466 HG :: 1.483 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 HD21 :: 0.936 HD22 :: 0.936 HD23 :: 0.936 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.729 Ave N Shift Values>> N :: 121.98(4.07) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.082 CA :: 56.669 CB :: 64.898 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.281 HA :: 5.191 HB2 :: 3.746 HB3 :: 3.746 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.755 Ave N Shift Values>> N :: 116.3(3.95) 1.C94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 H 0.13 W 0.13 E 0.13 C 0.12 Q 0.1 M 0.09 K 0.07 V 0.01 I 0.01 C Shift Assignments>> C :: 171.983 CA :: 56.826 CB :: 30.696 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.184 HA :: 4.960 HB2 :: 2.907 HB3 :: 2.758 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.929 Ave N Shift Values>> N :: 119.95(4.79) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.989 CA :: 56.749 CB :: 64.771 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.572 HA :: 5.397 HB2 :: 3.666 HB3 :: 3.618 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.522 Ave N Shift Values>> N :: 116.3(3.95) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.38 C Shift Assignments>> C :: 174.327 CA :: 59.863 CB :: 41.472 CG1 :: 27.018 CG2 :: 18.455 CD1 :: 12.872 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.116 HA :: 4.319 HB :: 1.559 HG12 :: 1.432 HG13 :: 0.745 HG21 :: 0.589 HG22 :: 0.589 HG23 :: 0.589 HD11 :: 0.487 HD12 :: 0.487 HD13 :: 0.487 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.214 Ave N Shift Values>> N :: 121.6(4.72) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.21 C 0.19 C Shift Assignments>> C :: 173.502 CA :: 52.511 CB :: 39.486 CG :: 175.607 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.056 HA :: 5.130 HB2 :: 2.695 HB3 :: 2.695 HD21 :: 7.056 HD22 :: 6.916 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 127.119 ND2 :: 110.530 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 I 0.14 A 0.03 HN Overlap>> 1.E86 1.E86 C Shift Assignments>> C :: 175.692 CA :: 57.814 CB :: 35.997 CG1 :: 25.752 CG2 :: 17.004 CD1 :: 9.702 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.616 HA :: 4.699 HB :: 2.314 HG12 :: 1.638 HG13 :: 1.134 HG21 :: 0.543 HG22 :: 0.543 HG23 :: 0.543 HD11 :: 0.558 HD12 :: 0.558 HD13 :: 0.558 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.716 Ave N Shift Values>> N :: 121.6(4.72) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.4 R 0.08 M 0.01 G 0.01 A 0.01 C Shift Assignments>> C :: 174.819 CA :: 53.224 CB :: 35.046 CG :: 24.344 CD :: 28.837 CE :: 41.938 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.053 HA :: 4.964 HB2 :: 1.733 HB3 :: 1.636 HG2 :: 1.482 HG3 :: 1.299 HD2 :: 1.734 HD3 :: 1.734 HE2 :: 3.011 HE3 :: 2.949 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 130.539 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 H 0.33 W 0.25 C Shift Assignments>> C :: 175.043 CA :: 57.185 CB :: 31.797 CD2 :: 118.414 CE1 :: 139.369 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.064 HA :: 5.311 HB2 :: 3.009 HB3 :: 2.827 HD2 :: 6.869 HE1 :: 7.899 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.396 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.25 G 0.22 C Shift Assignments>> C :: 172.754 CA :: 54.426 CB :: 33.386 CG :: 25.792 CD :: 43.855 CZ :: 159.846 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.331 HA :: 4.072 HB2 :: 1.293 HB3 :: 1.253 HG2 :: 0.700 HG3 :: 0.700 HD2 :: 2.885 HD3 :: 2.727 HE :: 6.669 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 130.232 NE :: 81.704 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 R 0.17 K 0.17 D 0.13 C 0.1 F 0.07 Y 0.05 N 0.01 G 0.01 C Shift Assignments>> C :: 176.166 CA :: 55.527 CB :: 42.433 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.919 HA :: 4.683 HB2 :: 2.620 HB3 :: 2.620 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.890 Ave N Shift Values>> N :: 120.73(4.2) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.3 E 0.24 Q 0.05 K 0.01 C Shift Assignments>> C :: 173.570 CA :: 55.294 CB :: 32.220 CG :: 35.688 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.416 HA :: 4.654 HB2 :: 1.740 HB3 :: 1.863 HG2 :: 2.089 HG3 :: 2.089 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.359 Ave N Shift Values>> N :: 120.68(3.68) 1.F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.34 C Shift Assignments>> C :: 174.115 CA :: 56.575 CB :: 41.760 CD1 :: 131.206 CD2 :: 131.206 CE1 :: 129.978 CE2 :: 129.978 CZ :: 128.623 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.639 HA :: 4.301 HB2 :: 2.629 HB3 :: 3.014 HD1 :: 6.906 HD2 :: 6.906 HE1 :: 6.873 HE2 :: 6.873 HZ :: 6.599 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.757 Ave N Shift Values>> N :: 120.69(4.18) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.18 D 0.17 C 0.11 K 0.08 G 0.05 F 0.03 Y 0.02 N 0.02 C Shift Assignments>> C :: 176.206 CA :: 53.496 CB :: 42.978 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.312 HA :: 4.587 HB2 :: 2.604 HB3 :: 2.529 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.466 Ave N Shift Values>> N :: 120.73(4.2) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.15 K 0.08 Q 0.04 M 0.03 HN Overlap>> 1.K20 1.K20 C Shift Assignments>> C :: 176.471 CA :: 59.032 CB :: 29.576 CG :: 36.150 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.954 HA :: 3.974 HB2 :: 2.040 HB3 :: 2.040 HG2 :: 2.330 HG3 :: 2.289 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.407 Ave N Shift Values>> N :: 120.68(3.68) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.08 I 0.07 K 0.07 Q 0.04 C Shift Assignments>> C :: 177.837 CA :: 57.682 CB :: 30.261 CG :: 36.264 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.976 HA :: 4.224 HB2 :: 2.052 HB3 :: 2.052 HG2 :: 2.280 HG3 :: 2.280 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.940 Ave N Shift Values>> N :: 120.68(3.68) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.16 M 0.01 C Shift Assignments>> C :: 176.787 CA :: 56.914 CB :: 33.967 CG :: 25.290 CD :: 28.703 CE :: 41.792 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.366 HA :: 4.260 HB2 :: 1.649 HB3 :: 1.966 HG2 :: 1.491 HG3 :: 1.417 HD2 :: 1.643 HD3 :: 1.643 HE2 :: 2.960 HE3 :: 2.960 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.943 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.2 K 0.19 E 0.16 M 0.05 R 0.01 C Shift Assignments>> C :: 174.511 CA :: 53.184 CB :: 29.007 CG :: 35.072 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.405 HA :: 4.856 HB2 :: 2.597 HB3 :: 1.836 HG2 :: 2.209 HG3 :: 2.044 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.057 Ave N Shift Values>> N :: 120.68(3.68) 1.P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 C 0.1 C Shift Assignments>> C :: 177.543 CA :: 64.597 CB :: 31.654 CG :: 27.006 CD :: 50.374 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.313 HB2 :: 2.302 HB3 :: 1.988 HG2 :: 1.980 HG3 :: 1.833 HD2 :: 3.550 HD3 :: 3.246 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.17 C 0.11 K 0.11 F 0.1 N 0.09 Y 0.09 R 0.02 C Shift Assignments>> C :: 176.864 CA :: 54.791 CB :: 40.878 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.324 HA :: 4.569 HB2 :: 2.649 HB3 :: 2.546 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.970 Ave N Shift Values>> N :: 120.73(4.2) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 170.184 CA :: 45.311 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.067 HA2 :: 3.462 HA3 :: 2.838 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.895 Ave N Shift Values>> N :: 109.91(4.29) 1.M113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.3 M 0.19 K 0.04 Q 0.04 C Shift Assignments>> C :: 174.716 CA :: 53.983 CB :: 36.224 CG :: 30.862 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 6.585 HA :: 4.438 HB2 :: 1.958 HB3 :: 1.641 HG2 :: 2.129 HG3 :: 2.059 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 109.698 Ave N Shift Values>> N :: 120.1(3.88) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 173.763 CA :: 61.892 CB :: 36.026 CG1 :: 20.863 CG2 :: 21.045 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.692 HA :: 4.391 HB :: 2.011 HG11 :: 0.975 HG12 :: 0.975 HG13 :: 0.975 HG21 :: 1.018 HG22 :: 1.018 HG23 :: 1.018 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.753 Ave N Shift Values>> N :: 121.02(4.96) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 G 0.33 C 0.16 R 0.03 A 0.03 C Shift Assignments>> C :: 175.391 CA :: 52.916 CB :: 44.306 CG :: 26.715 CD1 :: 26.227 CD2 :: 23.522 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.275 HA :: 5.432 HB2 :: 1.093 HB3 :: 1.965 HG :: 1.535 HD11 :: 0.687 HD12 :: 0.687 HD13 :: 0.687 HD21 :: 0.841 HD22 :: 0.841 HD23 :: 0.841 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 133.183 Ave N Shift Values>> N :: 121.98(4.07) 1.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.234 CA :: 57.745 CB :: 64.865 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.791 HA :: 4.919 HB2 :: 3.917 HB3 :: 3.917 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.872 Ave N Shift Values>> N :: 116.3(3.95) 1.G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 173.454 CA :: 44.962 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.670 HA2 :: 3.755 HA3 :: 4.500 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.533 Ave N Shift Values>> N :: 109.91(4.29) 1.W118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.44 H 0.03 C Shift Assignments>> C :: 174.958 CA :: 56.093 CB :: 30.914 CD1 :: 126.441 CE2 :: 138.847 CE3 :: 120.593 CZ2 :: 114.608 CZ3 :: 120.959 CH2 :: 124.547 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.888 HA :: 4.780 HB2 :: 3.007 HB3 :: 3.163 HD1 :: 7.130 HE1 :: 9.916 HE3 :: 7.545 HZ2 :: 7.472 HZ3 :: 7.098 HH2 :: 7.198 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.189 NE1 :: 129.243 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.979 CA :: 57.444 CB :: 63.787 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.713 HA :: 4.204 HB2 :: 3.616 HB3 :: 3.616 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.032 Ave N Shift Values>> N :: 116.3(3.95) 1.A120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.28 C 0.03 L 0.02 C Shift Assignments>> C :: 182.120 CA :: 53.500 CB :: 19.718 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.594 HA :: 3.933 HB1 :: 1.249 HB2 :: 1.249 HB3 :: 1.249 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.061 Ave N Shift Values>> N :: 123.23(3.7) ########################################################################### Overall Results: #Consistent: 118 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 120 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 120 #Suspicious: 0 C Shift Results: #Consistent: 542 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 863 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 124 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E13 HA = 5.698(S), Expected = 4.26, Std = 0.4300, ChiSquare = 8.2524e-04 1.A75 H = 6.062(S), Expected = 8.20, Std = 0.6000, ChiSquare = 3.6618e-04