Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.715 CA :: 63.635 CB :: 32.174 CG :: 27.205 CD :: 49.816 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 :: 4.445 HB2 :: 2.294 HG2 :: 2.045 HD2 :: 3.646 HD3 :: 3.676 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.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 174.221 CA :: 45.379 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.573 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.592 Ave N Shift Values>> N :: 109.91(4.29) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.724 CA :: 58.521 CB :: 64.270 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.123 HA :: 4.452 HB2 :: 3.857 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 :: 115.417 Ave N Shift Values>> N :: 116.3(3.95) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.15 G 0.03 A 0.01 C Shift Assignments>> C :: 177.525 CA :: 55.381 CB :: 42.474 CG :: 27.150 CD1 :: 25.335 CD2 :: 23.727 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 :: 8.353 HA :: 4.456 HB2 :: 1.693 HB3 :: 1.645 HG :: 1.677 HD11 :: 0.941 HD12 :: 0.941 HD13 :: 0.941 HD21 :: 0.888 HD22 :: 0.888 HD23 :: 0.888 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.763 Ave N Shift Values>> N :: 121.98(4.07) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.M21 1.M21 C Shift Assignments>> C :: 175.296 CA :: 58.649 CB :: 64.166 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.503 HA :: 4.475 HB2 :: 3.997 HB3 :: 3.915 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 :: 116.423 Ave N Shift Values>> N :: 116.3(3.95) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 175.254 CA :: 46.128 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.633 HA2 :: 4.121 HA3 :: 4.052 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.703 Ave N Shift Values>> N :: 109.91(4.29) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.146 CA :: 62.918 CB :: 69.632 CG2 :: 21.719 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 :: 8.041 HA :: 4.360 HB :: 4.310 HG21 :: 1.246 HG22 :: 1.246 HG23 :: 1.246 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 :: 114.226 Ave N Shift Values>> N :: 115.7(5.05) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.23 K 0.09 M 0.06 Q 0.02 C Shift Assignments>> C :: 177.912 CA :: 58.246 CB :: 29.827 CG :: 36.723 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 :: 8.605 HA :: 4.238 HB2 :: 2.104 HB3 :: 2.104 HG2 :: 2.416 HG3 :: 2.336 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 :: 123.827 Ave N Shift Values>> N :: 120.68(3.68) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.31 E 0.22 R 0.06 I 0.04 M 0.02 C Shift Assignments>> C :: 177.247 CA :: 57.728 CB :: 28.451 CG :: 34.405 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 :: 8.577 HA :: 4.229 HB2 :: 2.259 HB3 :: 2.148 HG2 :: 2.427 HG3 :: 2.481 HE21 :: 7.571 HE22 :: 6.908 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.789 NE2 :: 112.316 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.32 I 0.05 V 0.01 HN Overlap>> 1.L107 1.L107 C Shift Assignments>> C :: 179.370 CA :: 55.636 CB :: 18.604 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.142 HA :: 4.087 HB1 :: 1.557 HB2 :: 1.557 HB3 :: 1.557 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.654 Ave N Shift Values>> N :: 123.23(3.7) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 E 0.41 K 0.06 Q 0.01 M 0.01 C Shift Assignments>> CA :: 60.047 CB :: 29.093 CG :: 36.722 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 :: 8.561 HA :: 4.028 HB2 :: 2.110 HG2 :: 2.367 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 :: 117.319 Ave N Shift Values>> N :: 120.68(3.68) 1.M19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 A 0.02 C Shift Assignments>> CA :: 58.431 CB :: 32.179 CG :: 32.138 CE :: 17.198 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 :: 7.990 HA :: 4.304 HB2 :: 2.248 HB3 :: 2.248 HG2 :: 2.606 HG3 :: 2.755 HE1 :: 2.116 HE2 :: 2.116 HE3 :: 2.116 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 :: 120.221 Ave N Shift Values>> N :: 120.1(3.88) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.27 G 0.06 C Shift Assignments>> CA :: 60.088 CB :: 32.792 CG :: 26.941 CD :: 29.760 CE :: 42.768 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 :: 8.028 HA :: 4.036 HB2 :: 2.108 HB3 :: 1.870 HG2 :: 1.476 HG3 :: 1.476 HD2 :: 1.682 HD3 :: 1.892 HE2 :: 3.043 HE3 :: 2.997 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.522 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.94 I 0.03 A 0.02 HN Overlap>> 1.S12 1.S12 C Shift Assignments>> C :: 178.358 CA :: 59.095 CB :: 32.670 CG :: 33.587 CE :: 18.180 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 :: 8.479 HA :: 4.014 HB2 :: 2.304 HB3 :: 2.088 HG2 :: 2.557 HG3 :: 2.821 HE1 :: 2.174 HE2 :: 2.174 HE3 :: 2.174 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 :: 116.475 Ave N Shift Values>> N :: 120.1(3.88) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.33 I 0.04 C Shift Assignments>> C :: 180.416 CA :: 55.257 CB :: 17.817 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.851 HA :: 4.137 HB1 :: 1.580 HB2 :: 1.580 HB3 :: 1.580 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.817 Ave N Shift Values>> N :: 123.23(3.7) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E26 1.E26 C Shift Assignments>> C :: 178.996 CA :: 66.633 CB :: 31.996 CG1 :: 22.525 CG2 :: 22.051 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 :: 7.750 HA :: 3.863 HB :: 2.284 HG11 :: 1.149 HG12 :: 1.149 HG13 :: 1.149 HG21 :: 0.938 HG22 :: 0.938 HG23 :: 0.938 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 :: 120.034 Ave N Shift Values>> N :: 121.02(4.96) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.143 CA :: 66.771 CB :: 38.163 CG1 :: 29.386 CG2 :: 17.929 CD1 :: 14.339 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 :: 8.167 HA :: 3.503 HB :: 1.942 HG12 :: 0.755 HG13 :: 2.068 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.685 Ave N Shift Values>> N :: 121.6(4.72) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.724 CB :: 62.594 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.425 HA :: 3.903 HB2 :: 3.821 HB3 :: 3.854 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 :: 113.330 Ave N Shift Values>> N :: 116.3(3.95) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.16 K 0.14 Q 0.09 M 0.07 HN Overlap>> 1.V23 1.V23 C Shift Assignments>> CA :: 58.629 CB :: 29.771 CG :: 35.923 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 :: 7.658 HA :: 3.959 HB2 :: 2.092 HB3 :: 1.884 HG2 :: 2.185 HG3 :: 1.894 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.022 Ave N Shift Values>> N :: 120.68(3.68) 1.H27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 H 0.43 C Shift Assignments>> CA :: 57.750 CB :: 32.247 CD2 :: 121.860 CE1 :: 138.365 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.469 HA :: 4.539 HB2 :: 3.194 HB3 :: 2.694 HD2 :: 7.430 HE1 :: 7.859 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 :: 113.401 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.16 G 0.07 C Shift Assignments>> C :: 178.208 CA :: 58.827 CB :: 42.836 CG :: 26.793 CD1 :: 25.636 CD2 :: 24.442 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 :: 7.952 HA :: 3.916 HB2 :: 2.102 HB3 :: 1.507 HG :: 1.863 HD11 :: 0.823 HD12 :: 0.823 HD13 :: 0.823 HD21 :: 0.738 HD22 :: 0.738 HD23 :: 0.738 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 :: 124.101 Ave N Shift Values>> N :: 121.98(4.07) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.161 CA :: 46.841 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.862 HA2 :: 3.555 HA3 :: 4.040 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.148 Ave N Shift Values>> N :: 109.91(4.29) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.13 G 0.03 C Shift Assignments>> C :: 178.863 CA :: 57.094 CB :: 42.488 CG :: 26.941 CD1 :: 25.100 CD2 :: 24.171 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 :: 9.041 HA :: 4.133 HB2 :: 1.829 HB3 :: 1.707 HD11 :: 1.004 HD12 :: 1.004 HD13 :: 1.004 HD21 :: 1.026 HD22 :: 1.026 HD23 :: 1.026 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.734 Ave N Shift Values>> N :: 121.98(4.07) 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 :: 175.226 CA :: 60.655 CB :: 63.212 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.250 HA :: 4.472 HB2 :: 4.147 HB3 :: 3.961 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 :: 113.064 Ave N Shift Values>> N :: 116.3(3.95) 1.W32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.91 H 0.08 C Shift Assignments>> C :: 177.125 CA :: 61.000 CB :: 27.925 CD1 :: 128.744 CE3 :: 120.291 CZ2 :: 114.218 CZ3 :: 120.792 CH2 :: 125.048 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 :: 8.014 HA :: 4.081 HB2 :: 3.555 HB3 :: 3.307 HD1 :: 7.774 HE1 :: 10.055 HE3 :: 7.277 HZ2 :: 7.148 HZ3 :: 6.690 HH2 :: 7.516 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 :: 121.742 NE1 :: 128.746 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.71 A 0.2 I 0.07 C Shift Assignments>> C :: 179.701 CA :: 55.606 CB :: 16.923 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.197(S) HA :: 3.251 HB1 :: 0.461(S) HB2 :: 0.461(S) HB3 :: 0.461(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.176 Ave N Shift Values>> N :: 123.23(3.7) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.3 K 0.1 M 0.03 Q 0.02 C Shift Assignments>> C :: 179.419 CA :: 58.823 CB :: 29.320 CG :: 36.638 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 :: 7.229 HA :: 4.049 HB2 :: 2.102 HB3 :: 2.102 HG2 :: 2.282 HG3 :: 2.313 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 :: 119.573 Ave N Shift Values>> N :: 120.68(3.68) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.04 K 0.01 HN Overlap>> 1.I46 1.N77 1.D45 1.I46 1.N77 1.D45 C Shift Assignments>> C :: 177.806 CA :: 57.742 CB :: 40.740 CG :: 26.592 CD1 :: 26.596 CD2 :: 24.003 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 :: 8.102 HA :: 3.896 HB2 :: 2.129 HB3 :: 1.252 HG :: 1.484 HD11 :: 0.751 HD12 :: 0.751 HD13 :: 0.751 HD21 :: 0.734 HD22 :: 0.734 HD23 :: 0.734 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 :: 121.163 Ave N Shift Values>> N :: 121.98(4.07) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.35 I 0.03 V 0.02 L 0.01 C Shift Assignments>> C :: 178.971 CA :: 55.496 CB :: 19.008 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.708 HA :: 4.015 HB1 :: 1.555 HB2 :: 1.555 HB3 :: 1.555 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.316 Ave N Shift Values>> N :: 123.23(3.7) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 K 0.23 G 0.06 L 0.04 C Shift Assignments>> C :: 180.873 CA :: 59.200 CB :: 29.564 CG :: 26.838 CD :: 42.860 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 :: 7.407 HA :: 4.227 HB2 :: 1.897 HB3 :: 2.048 HG2 :: 1.851 HG3 :: 1.590 HD2 :: 3.288 HD3 :: 3.180 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.258 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.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 K 0.19 Q 0.15 I 0.13 M 0.06 R 0.01 C Shift Assignments>> C :: 178.364 CA :: 58.581 CB :: 29.441 CG :: 35.542 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 :: 8.014 HA :: 4.133 HB2 :: 2.130 HB3 :: 2.130 HG2 :: 2.294 HG3 :: 2.468 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 :: 123.255 Ave N Shift Values>> N :: 120.68(3.68) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 A 0.39 R 0.02 G 0.01 C Shift Assignments>> C :: 175.162 CA :: 54.409 CB :: 41.975 CG :: 25.891 CD1 :: 24.937 CD2 :: 21.084 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 :: 8.178 HA :: 4.498 HB2 :: 1.920 HB3 :: 2.055 HG :: 1.671 HD11 :: 0.342 HD12 :: 0.342 HD13 :: 0.342 HD21 :: 0.584 HD22 :: 0.584 HD23 :: 0.584 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 :: 117.362 Ave N Shift Values>> N :: 121.98(4.07) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 Q 0.11 M 0.1 R 0.06 V 0.04 I 0.02 E 0.01 C Shift Assignments>> C :: 176.503 CA :: 57.265 CB :: 24.738 CG :: 34.185 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 :: 8.012 HA :: 3.921 HB2 :: 2.270 HB3 :: 2.363 HG2 :: 2.276 HG3 :: 2.230 HE21 :: 7.469 HE22 :: 6.840 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 :: 111.192 NE2 :: 113.261 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.623 CA :: 59.541 CB :: 38.944 CD1 :: 131.986 CD2 :: 131.986 CE1 :: 131.183 CE2 :: 131.183 CZ :: 128.215 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 :: 8.280 HA :: 4.688 HB2 :: 3.130 HB3 :: 2.791 HD1 :: 7.556 HD2 :: 7.556 HE1 :: 7.357 HE2 :: 7.357 HZ :: 7.110 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.096 Ave N Shift Values>> N :: 120.69(4.18) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.86 T 0.13 C Shift Assignments>> C :: 175.247 CA :: 56.939 CB :: 66.460 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.509 HA :: 4.585 HB2 :: 4.126 HB3 :: 4.489 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 :: 118.597 Ave N Shift Values>> N :: 116.3(3.95) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.081 CA :: 66.369 CB :: 31.757 CG1 :: 22.084 CG2 :: 21.073 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 :: 8.717 HA :: 3.728 HB :: 2.090 HG11 :: 1.099 HG12 :: 1.099 HG13 :: 1.099 HG21 :: 0.998 HG22 :: 0.998 HG23 :: 0.998 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.947 Ave N Shift Values>> N :: 121.02(4.96) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 E 0.35 K 0.04 C Shift Assignments>> C :: 179.584 CA :: 60.268 CB :: 28.991 CG :: 37.001 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 :: 8.392 HA :: 4.124 HB2 :: 1.985 HB3 :: 2.102 HG2 :: 2.425 HG3 :: 2.326 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 :: 119.744 Ave N Shift Values>> N :: 120.68(3.68) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 K 0.21 Y 0.19 L 0.14 D 0.08 I 0.05 R 0.05 HN Overlap>> 1.L35 1.I46 1.N77 1.L35 1.I46 1.N77 C Shift Assignments>> C :: 177.808 CA :: 57.837 CB :: 41.119 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 :: 8.103 HA :: 4.492 HB2 :: 3.289 HB3 :: 2.545 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 :: 121.190 Ave N Shift Values>> N :: 120.73(4.2) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L35 1.L35 1.D45 1.D45 C Shift Assignments>> C :: 179.168 CA :: 66.462 CB :: 38.802 CG1 :: 30.490 CG2 :: 16.852 CD1 :: 14.337 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 :: 8.101 HA :: 3.682 HB :: 1.933 HG12 :: 1.826 HG13 :: 0.759 HG21 :: 0.854 HG22 :: 0.854 HG23 :: 0.854 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.250 Ave N Shift Values>> N :: 121.6(4.72) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.21 E 0.14 N 0.13 D 0.08 I 0.06 L 0.02 M 0.02 C Shift Assignments>> C :: 177.438 CA :: 56.280 CB :: 38.084 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 :: 8.513 HA :: 4.474 HB2 :: 2.868 HB3 :: 2.868 HD21 :: 6.922 HD22 :: 7.727 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 :: 117.444 ND2 :: 112.998 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 G 0.18 K 0.08 L 0.01 C Shift Assignments>> C :: 177.980 CA :: 59.815 CB :: 29.688 CG :: 27.710 CD :: 43.498 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.117 HA :: 4.049 HB2 :: 1.980 HG2 :: 1.674 HG3 :: 1.493 HD2 :: 3.244 HD3 :: 3.244 HE :: 7.423 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 :: 120.640 NE :: 116.600 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.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L64 1.L64 C Shift Assignments>> C :: 179.044 CA :: 65.692 CB :: 37.434 CG1 :: 29.715 CG2 :: 18.734 CD1 :: 13.628 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 :: 7.945 HA :: 3.415 HB :: 2.063 HG12 :: 1.763 HG13 :: 0.762 HG21 :: 0.258 HG22 :: 0.258 HG23 :: 0.258 HD11 :: 0.594 HD12 :: 0.594 HD13 :: 0.594 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 :: 119.378 Ave N Shift Values>> N :: 121.6(4.72) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 G 0.33 K 0.11 C Shift Assignments>> C :: 178.433 CA :: 60.451 CB :: 30.573 CG :: 29.293 CD :: 43.730 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 :: 7.783 HA :: 3.903 HB2 :: 2.035 HB3 :: 2.142 HG2 :: 1.780 HG3 :: 2.102 HD2 :: 3.352 HD3 :: 3.352 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.226 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.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.690 CA :: 65.566 CB :: 32.105 CG1 :: 22.526 CG2 :: 21.206 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 :: 8.171 HA :: 3.738 HB :: 2.178 HG11 :: 1.091 HG12 :: 1.091 HG13 :: 1.091 HG21 :: 0.985 HG22 :: 0.985 HG23 :: 0.985 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 :: 117.682 Ave N Shift Values>> N :: 121.02(4.96) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.26 M 0.07 K 0.03 HN Overlap>> 1.E79 1.E79 C Shift Assignments>> C :: 176.464 CA :: 57.749 CB :: 30.317 CG :: 37.639 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 :: 8.375 HA :: 4.081 HB2 :: 2.008 HB3 :: 1.920 HG2 :: 2.222 HG3 :: 2.584 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.992 Ave N Shift Values>> N :: 120.68(3.68) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.34 L 0.08 F 0.04 Y 0.03 K 0.01 C Shift Assignments>> CA :: 51.055 CB :: 40.171 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 :: 7.170 HA :: 5.231 HB2 :: 2.178 HB3 :: 2.678 HD21 :: 7.942 HD22 :: 7.319 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.582 ND2 :: 117.976 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.152 CA :: 64.688 CB :: 32.920 CG :: 26.951 CD :: 49.630 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 :: 4.456 HB2 :: 2.250 HB3 :: 1.953 HG2 :: 1.998 HG3 :: 1.854 HD2 :: 3.499 HD3 :: 3.423 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.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 Y 0.21 N 0.2 F 0.19 L 0.08 I 0.02 E 0.02 K 0.01 C Shift Assignments>> C :: 175.193 CA :: 55.336 CB :: 39.284 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 :: 8.784 HA :: 4.591 HB2 :: 2.909 HB3 :: 2.909 HD21 :: 7.016 HD22 :: 7.970 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.281 ND2 :: 114.655 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.296 CB :: 64.608 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.930 HA :: 4.757 HB2 :: 3.998 HB3 :: 3.861 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 :: 109.338 Ave N Shift Values>> N :: 116.3(3.95) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.16 G 0.02 C Shift Assignments>> CA :: 57.261 CB :: 42.201 CG :: 26.871 CD1 :: 25.801 CD2 :: 23.326 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 :: 8.702 HA :: 4.107 HB2 :: 1.891 HB3 :: 1.398 HD11 :: 1.041 HD12 :: 1.041 HD13 :: 1.041 HD21 :: 1.154 HD22 :: 1.154 HD23 :: 1.154 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.149 Ave N Shift Values>> N :: 121.98(4.07) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.15 G 0.01 C Shift Assignments>> CA :: 58.356 CB :: 41.914 CG :: 27.168 CD1 :: 25.520 CD2 :: 23.937 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 :: 8.128 HA :: 4.186 HB2 :: 1.638 HB3 :: 1.638 HG :: 1.479 HD11 :: 0.884 HD12 :: 0.884 HD13 :: 0.884 HD21 :: 0.857 HD22 :: 0.857 HD23 :: 0.857 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 :: 122.035 Ave N Shift Values>> N :: 121.98(4.07) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 E 0.46 K 0.03 M 0.02 HN Overlap>> 1.N80 1.N80 C Shift Assignments>> CA :: 59.356 CB :: 29.905 CG :: 37.561 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 :: 7.910 HA :: 3.742 HB2 :: 2.114 HB3 :: 1.884 HG2 :: 2.298 HG3 :: 2.246 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.538 Ave N Shift Values>> N :: 120.68(3.68) 1.Q60 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> K 0.53 I 0.14 Q 0.11 V 0.05 R 0.05 M 0.04 E 0.04 C Shift Assignments>> CA :: 58.995 CB :: 25.265 CG :: 34.762 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.355 HA :: 3.180 HB2 :: 1.621 HB3 :: 0.326(S) HG2 :: 2.054 HG3 :: 3.038 HE21 :: 6.785 HE22 :: 7.819 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 :: 119.235 NE2 :: 123.970(A) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> CA :: 63.244 CB :: 63.697 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.772 HA :: 3.665 HB2 :: 4.329 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 :: 115.590 Ave N Shift Values>> N :: 116.3(3.95) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.R71 1.R71 C Shift Assignments>> C :: 178.345 CA :: 66.482 CB :: 32.388 CG1 :: 23.169 CG2 :: 21.073 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 :: 8.421 HA :: 3.446 HB :: 1.887 HG11 :: 1.019 HG12 :: 1.019 HG13 :: 1.019 HG21 :: 0.870 HG22 :: 0.870 HG23 :: 0.870 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 :: 121.306 Ave N Shift Values>> N :: 121.02(4.96) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.42 I 0.03 C Shift Assignments>> C :: 180.726 CA :: 55.029 CB :: 18.549 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.628 HA :: 4.056 HB1 :: 1.352 HB2 :: 1.352 HB3 :: 1.352 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.261 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 0.88 R 0.08 K 0.01 HN Overlap>> 1.I49 1.I49 C Shift Assignments>> CA :: 57.825 CB :: 40.599 CG :: 27.485 CD1 :: 26.278 CD2 :: 23.169 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 :: 7.934 HA :: 3.767 HB2 :: 2.054 HB3 :: 1.438 HG :: 1.476 HD11 :: 1.007 HD12 :: 1.007 HD13 :: 1.007 HD21 :: 0.524 HD22 :: 0.524 HD23 :: 0.524 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 :: 119.344 Ave N Shift Values>> N :: 121.98(4.07) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.06 A 0.01 C Shift Assignments>> CA :: 58.120 CB :: 40.294 CG :: 27.362 CD1 :: 26.296 CD2 :: 22.292 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 :: 7.876 HA :: 4.122 HB2 :: 1.644 HB3 :: 1.969 HG :: 1.819 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 HD21 :: 0.658 HD22 :: 0.658 HD23 :: 0.658 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 :: 117.988 Ave N Shift Values>> N :: 121.98(4.07) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.22 N 0.14 D 0.11 E 0.09 I 0.06 L 0.04 M 0.01 C Shift Assignments>> C :: 177.620 CA :: 56.209 CB :: 38.441 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 :: 8.425 HA :: 4.545 HB2 :: 2.868 HB3 :: 2.755 HD21 :: 6.853 HD22 :: 7.521 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 :: 117.726 ND2 :: 112.244 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.06 G 0.02 C Shift Assignments>> C :: 179.448 CA :: 58.090 CB :: 42.038 CG :: 26.786 CD1 :: 24.125 CD2 :: 24.446 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 :: 8.141 HA :: 4.128 HB2 :: 1.811 HB3 :: 1.811 HG :: 1.784 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.734 HD22 :: 0.734 HD23 :: 0.734 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 :: 121.484 Ave N Shift Values>> N :: 121.98(4.07) 1.W68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.476 CA :: 63.453 CB :: 27.924 CD1 :: 125.648 CE3 :: 120.443 CZ2 :: 113.841 CZ3 :: 121.703 CH2 :: 124.293 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 :: 8.772 HA :: 4.388 HB2 :: 3.318 HB3 :: 3.914 HD1 :: 7.310 HE1 :: 10.685 HE3 :: 7.624 HZ2 :: 7.388 HZ3 :: 6.911 HH2 :: 6.919 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 :: 121.539 NE1 :: 130.933 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.665 CA :: 67.069 CB :: 31.844 CG1 :: 23.798 CG2 :: 21.500 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 :: 8.373 HA :: 3.060 HB :: 2.282 HG11 :: 1.260 HG12 :: 1.260 HG13 :: 1.260 HG21 :: 0.918 HG22 :: 0.918 HG23 :: 0.918 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.452 Ave N Shift Values>> N :: 121.02(4.96) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.521 CA :: 64.612 CB :: 38.087 CG1 :: 29.378 CG2 :: 17.078 CD1 :: 13.090 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 :: 7.944 HA :: 3.670 HB :: 1.935 HG12 :: 1.721 HG13 :: 1.185 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.563 Ave N Shift Values>> N :: 121.6(4.72) 1.R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.3 HN Overlap>> 1.V62 1.V62 C Shift Assignments>> CA :: 59.447 CB :: 31.444 CG :: 26.548 CD :: 44.020 CZ :: 159.000 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.439 HA :: 3.929 HB2 :: 2.067 HB3 :: 2.067 HG2 :: 1.403 HG3 :: 1.845 HD2 :: 3.134 HD3 :: 2.834 HE :: 7.484 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 :: 121.283 NE :: 116.582 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.E72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.48 M 0.17 K 0.15 Q 0.13 I 0.04 C Shift Assignments>> C :: 178.741 CA :: 56.566 CB :: 30.232 CG :: 35.780 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 :: 8.312 HA :: 3.847 HB2 :: 1.506 HB3 :: 1.033(S) HG2 :: 1.284(S) HG3 :: 1.687 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 :: 114.626 Ave N Shift Values>> N :: 120.68(3.68) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 176.250 CA :: 46.407 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.861 HA2 :: 3.736 HA3 :: 3.918 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.505 Ave N Shift Values>> N :: 109.91(4.29) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.33 E 0.14 R 0.1 M 0.04 I 0.02 C Shift Assignments>> C :: 175.934 CA :: 57.611 CB :: 28.468 CG :: 33.831 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 :: 8.978 HA :: 4.111 HB2 :: 2.052 HB3 :: 2.144 HG2 :: 2.401 HG3 :: 2.401 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 :: 124.053 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.22 Y 0.08 F 0.06 L 0.04 E 0.01 C Shift Assignments>> C :: 175.019 CA :: 52.733 CB :: 38.826 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 :: 8.093 HA :: 4.774 HB2 :: 2.953 HB3 :: 2.753 HD21 :: 6.943 HD22 :: 7.740 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.719 ND2 :: 114.070 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.31 C Shift Assignments>> C :: 176.079 CA :: 53.004 CB :: 17.803 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.318 HA :: 3.622 HB1 :: 0.873 HB2 :: 0.873 HB3 :: 0.873 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.344 Ave N Shift Values>> N :: 123.23(3.7) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.32 L 0.07 F 0.05 Y 0.05 HN Overlap>> 1.L35 1.L35 1.D45 1.D45 C Shift Assignments>> C :: 176.270 CA :: 52.063 CB :: 39.781 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 :: 8.024 HA :: 4.898 HB2 :: 3.060 HB3 :: 2.834 HD21 :: 7.575 HD22 :: 6.988 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 :: 121.155 ND2 :: 112.181 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.86 A 0.12 C Shift Assignments>> CA :: 56.713 CB :: 30.999 CG :: 32.477 CE :: 17.017 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 :: 9.163 HA :: 4.210 HB2 :: 1.577 HB3 :: 1.929 HG2 :: 2.553 HG3 :: 2.553 HE1 :: 2.002 HE2 :: 2.002 HE3 :: 2.002 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 :: 124.537 Ave N Shift Values>> N :: 120.1(3.88) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 I 0.42 K 0.09 Q 0.02 M 0.01 HN Overlap>> 1.E52 1.E52 C Shift Assignments>> CA :: 59.710 CB :: 28.758 CG :: 36.465 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 :: 8.372 HA :: 3.832 HB2 :: 2.026 HB3 :: 1.990 HG2 :: 2.337 HG3 :: 2.369 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 :: 117.078 Ave N Shift Values>> N :: 120.68(3.68) 1.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 N 0.21 F 0.17 E 0.13 D 0.1 I 0.04 M 0.03 L 0.02 HN Overlap>> 1.E59 1.E59 C Shift Assignments>> CA :: 55.655 CB :: 37.979 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 :: 7.914 HA :: 4.612 HB2 :: 3.207 HB3 :: 3.039 HD21 :: 8.101 HD22 :: 7.202 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 :: 116.530 ND2 :: 112.930 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.05 C Shift Assignments>> CA :: 57.470 CB :: 41.148 CG :: 26.867 CD1 :: 25.173 CD2 :: 24.308 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 :: 7.203 HA :: 3.838 HB2 :: 1.504 HB3 :: 1.269 HG :: 1.118 HD11 :: 0.275 HD12 :: 0.275 HD13 :: 0.275 HD21 :: 0.289 HD22 :: 0.289 HD23 :: 0.289 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 :: 122.214 Ave N Shift Values>> N :: 121.98(4.07) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.85 H 0.14 C Shift Assignments>> C :: 178.810 CA :: 58.001 CB :: 35.730 CD1 :: 130.713 CD2 :: 130.713 CE1 :: 118.283 CE2 :: 118.283 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 :: 8.494 HA :: 4.350 HB2 :: 3.341 HB3 :: 3.125 HD1 :: 6.832 HD2 :: 6.832 HE1 :: 6.625 HE2 :: 6.625 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 :: 119.154 Ave N Shift Values>> N :: 120.79(4.69) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.480 CA :: 66.659 CB :: 68.852 CG2 :: 21.840 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 :: 8.414 HA :: 4.024 HB :: 4.257 HG21 :: 1.303 HG22 :: 1.303 HG23 :: 1.303 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 :: 116.261 Ave N Shift Values>> N :: 115.7(5.05) 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.03 V 0.01 C Shift Assignments>> C :: 179.148 CA :: 55.440 CB :: 18.871 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.423 HA :: 4.224 HB1 :: 1.385 HB2 :: 1.385 HB3 :: 1.385 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.150 Ave N Shift Values>> N :: 123.23(3.7) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.16 K 0.02 G 0.01 C Shift Assignments>> C :: 179.376 CA :: 57.676 CB :: 41.748 CG :: 26.943 CD1 :: 25.002 CD2 :: 26.218 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 :: 8.295 HA :: 3.784 HB2 :: 2.057 HB3 :: 1.139 HG :: 1.810 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 HD21 :: 0.813 HD22 :: 0.813 HD23 :: 0.813 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 :: 117.245 Ave N Shift Values>> N :: 121.98(4.07) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.3 E 0.14 R 0.11 I 0.07 M 0.01 P 0.01 C Shift Assignments>> C :: 180.266 CA :: 59.050 CB :: 27.729 CG :: 34.059 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 :: 8.042 HA :: 3.910 HB2 :: 2.167 HB3 :: 2.361 HG2 :: 2.455 HG3 :: 2.536 HE21 :: 6.883 HE22 :: 7.306 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.616 NE2 :: 110.022 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.574 CA :: 61.667 CB :: 63.193 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.346 HA :: 4.305 HB2 :: 3.937 HB3 :: 4.091 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 :: 117.533 Ave N Shift Values>> N :: 116.3(3.95) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.587 CA :: 60.908 CB :: 37.091 CG1 :: 26.393 CG2 :: 17.608 CD1 :: 16.469 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 :: 7.190 HA :: 4.624 HB :: 2.228 HG12 :: 1.545 HG13 :: 1.320 HG21 :: 0.808 HG22 :: 0.808 HG23 :: 0.808 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 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 :: 111.829 Ave N Shift Values>> N :: 121.6(4.72) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.21 D 0.21 N 0.16 L 0.09 I 0.03 E 0.02 K 0.01 C Shift Assignments>> CA :: 55.714 CB :: 39.362 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 :: 7.915 HA :: 4.562 HB2 :: 3.220 HB3 :: 2.629 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.709 Ave N Shift Values>> N :: 120.73(4.2) 1.R90 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 K 0.06 A 0.05 C Shift Assignments>> CA :: 51.783 CB :: 26.468 CG :: 23.819 CD :: 40.243 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.160 HA :: 5.282 HB2 :: 2.190 HB3 :: 1.459 HG2 :: 1.633 HG3 :: 1.475 HD2 :: 3.353 HD3 :: 3.594 HE :: 8.654 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 :: 115.557 NE :: 96.969 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.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.928 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.748 HA2 :: 4.002 HA3 :: 3.430 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.288 Ave N Shift Values>> N :: 109.91(4.29) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 E 0.24 K 0.23 Q 0.16 R 0.04 M 0.01 C Shift Assignments>> CA :: 58.423 CB :: 26.555 CG :: 35.504 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 :: 9.639 HA :: 4.308 HB2 :: 2.055 HB3 :: 2.055 HG2 :: 2.469 HG3 :: 2.049 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 :: 124.064 Ave N Shift Values>> N :: 120.68(3.68) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.078 CA :: 65.084 CB :: 38.011 CG1 :: 28.837 CG2 :: 18.569 CD1 :: 13.466 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 :: 7.619 HA :: 3.595 HB :: 1.863 HG12 :: 1.787 HG13 :: 0.781 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 HD11 :: 0.904 HD12 :: 0.904 HD13 :: 0.904 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.480 Ave N Shift Values>> N :: 121.6(4.72) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.955 CA :: 66.262 CB :: 30.953 CG1 :: 22.814 CG2 :: 20.112 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 :: 6.614 HA :: 2.977 HB :: 2.062 HG11 :: 0.825 HG12 :: 0.825 HG13 :: 0.825 HG21 :: 0.339 HG22 :: 0.339 HG23 :: 0.339 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 :: 117.782 Ave N Shift Values>> N :: 121.02(4.96) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.19 N 0.19 E 0.12 D 0.1 I 0.04 L 0.03 M 0.02 C Shift Assignments>> C :: 177.493 CA :: 55.818 CB :: 38.134 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 :: 7.411 HA :: 4.311 HB2 :: 2.672 HB3 :: 2.777 HD21 :: 6.832 HD22 :: 7.616 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 :: 116.197 ND2 :: 111.461 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 A 0.01 I 0.01 C Shift Assignments>> C :: 177.344 CA :: 58.384 CB :: 32.623 CG :: 31.651 CE :: 16.517 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 :: 7.556 HA :: 4.075 HB2 :: 2.133 HB3 :: 1.980 HG2 :: 2.525 HG3 :: 2.427 HE1 :: 1.571 HE2 :: 1.571 HE3 :: 1.571 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 :: 118.290 Ave N Shift Values>> N :: 120.1(3.88) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 R 0.17 G 0.13 C Shift Assignments>> C :: 178.194 CA :: 56.372 CB :: 43.437 CG :: 26.723 CD1 :: 26.331 CD2 :: 23.560 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 :: 7.343 HA :: 4.210 HB2 :: 1.882 HB3 :: 1.512 HG :: 1.865 HD11 :: 0.912 HD12 :: 0.912 HD13 :: 0.912 HD21 :: 0.937 HD22 :: 0.937 HD23 :: 0.937 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 :: 118.436 Ave N Shift Values>> N :: 121.98(4.07) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 M 0.24 Q 0.12 K 0.11 I 0.03 C Shift Assignments>> C :: 177.536 CA :: 56.077 CB :: 30.723 CG :: 35.762 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 :: 8.028 HA :: 4.413 HB2 :: 2.129 HB3 :: 1.744 HG2 :: 2.120 HG3 :: 2.247 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.623 Ave N Shift Values>> N :: 120.68(3.68) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.01 C Shift Assignments>> C :: 174.649 CA :: 45.708 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.007 HA2 :: 4.032 HA3 :: 3.987 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.856 Ave N Shift Values>> N :: 109.91(4.29) 1.S100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G101 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R102 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.34 K 0.31 E 0.15 M 0.1 R 0.06 C Shift Assignments>> CA :: 56.040 CB :: 29.343 CG :: 33.825 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> HA :: 4.350 HB2 :: 2.135 HB3 :: 2.006 HG2 :: 2.384 HG3 :: 2.384 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) 1.S104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.22 Y 0.09 F 0.08 L 0.04 E 0.01 C Shift Assignments>> CA :: 53.209 CB :: 38.793 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>> HA :: 4.683 HB2 :: 2.847 HB3 :: 2.717 HD21 :: 7.583 HD22 :: 6.904 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>> ND2 :: 112.660 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.1 G 0.03 A 0.02 HN Overlap>> 1.A17 1.A17 C Shift Assignments>> CA :: 55.095 CB :: 42.429 CG :: 27.011 CD1 :: 25.055 CD2 :: 23.433 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 :: 8.158 HA :: 4.334 HB2 :: 1.575 HB3 :: 1.635 HD11 :: 0.921 HD12 :: 0.921 HD13 :: 0.921 HD21 :: 0.852 HD22 :: 0.852 HD23 :: 0.852 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 :: 122.605 Ave N Shift Values>> N :: 121.98(4.07) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.23 M 0.06 G 0.02 C Shift Assignments>> CA :: 54.040 CB :: 32.659 CG :: 24.535 CD :: 29.362 CE :: 42.205 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 :: 8.268 HA :: 4.621 HB2 :: 1.841 HB3 :: 1.746 HG2 :: 1.473 HG3 :: 1.438 HD2 :: 1.706 HD3 :: 1.706 HE2 :: 3.021 HE3 :: 3.021 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.147 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.609 CA :: 63.309 CB :: 32.183 CG :: 27.286 CD :: 50.624 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 :: 4.451 HB2 :: 2.298 HB3 :: 1.982 HG2 :: 2.019 HG3 :: 2.019 HD2 :: 3.784 HD3 :: 3.668 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.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.21 K 0.14 N 0.1 F 0.1 Y 0.08 R 0.03 C Shift Assignments>> C :: 175.108 CA :: 54.414 CB :: 41.116 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 :: 8.452 HA :: 4.568 HB2 :: 2.701 HB3 :: 2.637 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.866 Ave N Shift Values>> N :: 120.73(4.2) 1.R111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 K 0.19 G 0.12 C Shift Assignments>> C :: 180.806 CA :: 57.263 CB :: 31.552 CG :: 27.092 CD :: 43.471 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 :: 7.750 HA :: 4.169 HB2 :: 1.846 HB3 :: 1.733 HG2 :: 1.598 HD2 :: 3.195 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 :: 124.989 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) ########################################################################### Overall Results: #Consistent: 107 #Clerical: 0 #Suspicious: 2 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 98 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 12 Shift Relative Order (SRO) Results: #Consistent: 111 #Suspicious: 0 C Shift Results: #Consistent: 409 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 702 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 111 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.A33 H = 6.197(S), Expected = 8.20, Std = 0.6000, ChiSquare = 8.4283e-04 1.A33 HB1 = 0.461(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.3692e-04 1.A33 HB2 = 0.461(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.3692e-04 1.A33 HB3 = 0.461(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.3692e-04 1.Q60 HB3 = 0.326(S), Expected = 2.04, Std = 0.2900, ChiSquare = 3.4139e-09 1.Q60 NE2 = 123.970(A), Expected = 111.81, Std = 2.2000, ChiSquare = 3.2525e-08 1.E72 HB3 = 1.033(S), Expected = 2.04, Std = 0.2300, ChiSquare = 1.1963e-05 1.E72 HG2 = 1.284(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.0305e-06 1.R90 Typing: Mistyped