Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.084 CB :: 63.548 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.28 R 0.02 A 0.01 HN Overlap>> 1.M19 1.M19 1.L90 1.L90 C Shift Assignments>> CA :: 55.161 CB :: 41.927 CG :: 27.052 CD1 :: 23.769 CD2 :: 24.999 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.168 HA :: 4.149 HB2 :: 1.476 HB3 :: 1.561 HG :: 1.594 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 HD21 :: 0.775 HD22 :: 0.775 HD23 :: 0.775 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.378 Ave N Shift Values>> N :: 121.86(3.9) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C 0.01 C Shift Assignments>> CA :: 51.823 CB :: 19.173 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.271 HA :: 4.075 HB1 :: 1.140 HB2 :: 1.140 HB3 :: 1.140 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.650 Ave N Shift Values>> N :: 123.23(3.54) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 G 0.29 C 0.17 R 0.05 A 0.02 C Shift Assignments>> CA :: 53.148 CB :: 44.160 CG :: 27.537 CD1 :: 23.711 CD2 :: 25.491 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.186 HA :: 4.865 HB2 :: 1.129 HB3 :: 1.435 HG :: 1.041 HD11 :: 0.544 HD12 :: 0.544 HD13 :: 0.544 HD21 :: 0.642 HD22 :: 0.642 HD23 :: 0.642 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.765 Ave N Shift Values>> N :: 121.86(3.9) 1.H15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 H 0.42 W 0.11 C Shift Assignments>> CA :: 53.294 CB :: 32.685 CD2 :: 116.402 CE1 :: 138.468 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.513 HA :: 5.292 HB2 :: 2.617 HB3 :: 2.724 HD2 :: 6.549 HE1 :: 7.360 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.455 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.41 R 0.08 C Shift Assignments>> CA :: 56.205 CB :: 32.737 CG :: 24.939 CD :: 29.326 CE :: 41.829 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.662 HA :: 4.810 HB2 :: 1.530 HB3 :: 1.871 HG2 :: 1.062 HG3 :: 1.290 HD2 :: 1.542 HD3 :: 1.591 HE2 :: 2.775 HE3 :: 2.805 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.817 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> CA :: 60.748 CB :: 34.327 CG1 :: 21.048 CG2 :: 21.183 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.404 HA :: 4.278 HB :: 1.826 HG11 :: 0.572 HG12 :: 0.572 HG13 :: 0.572 HG21 :: 0.647 HG22 :: 0.647 HG23 :: 0.647 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.793 Ave N Shift Values>> N :: 121.14(4.54) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 C Shift Assignments>> CA :: 58.775 CB :: 38.044 CG1 :: 27.626 CG2 :: 17.379 CD1 :: 12.403 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.970 HA :: 4.625 HB :: 1.656 HG12 :: 1.056 HG13 :: 1.023 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 HD11 :: 0.640 HD12 :: 0.640 HD13 :: 0.640 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.451 Ave N Shift Values>> N :: 121.46(4.28) 1.M19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 A 0.32 C 0.32 HN Overlap>> 1.L12 1.L12 C Shift Assignments>> CA :: 52.697 CB :: 30.587 CG :: 30.584 CE :: 15.915 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.250 HA :: 5.022 HB2 :: 1.634 HB3 :: 1.634 HG2 :: 2.344 HG3 :: 2.497 HE1 :: 1.819 HE2 :: 1.819 HE3 :: 1.819 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.386 Ave N Shift Values>> N :: 120.09(3.57) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.31 HN Overlap>> 1.F169 1.F169 C Shift Assignments>> CA :: 59.161 CB :: 34.960 CG1 :: 20.406 CG2 :: 22.327 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.824 HA :: 4.521 HB :: 1.702 HG11 :: 0.621 HG12 :: 0.621 HG13 :: 0.621 HG21 :: 0.723 HG22 :: 0.723 HG23 :: 0.723 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.004 Ave N Shift Values>> N :: 121.14(4.54) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.826 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.913 HA2 :: 3.377 HA3 :: 3.965 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.644 Ave N Shift Values>> N :: 109.67(3.87) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.833 CB :: 63.737 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.735 HA :: 4.478 HB2 :: 3.930 HB3 :: 3.978 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.659 Ave N Shift Values>> N :: 116.28(3.52) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> CA :: 46.643 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.545 HA2 :: 3.684 HA3 :: 4.721 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.014 Ave N Shift Values>> N :: 109.67(3.87) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.948 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.006 HA2 :: 4.047 HA3 :: 4.047 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.510 Ave N Shift Values>> N :: 109.67(3.87) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 V 0.08 C Shift Assignments>> CA :: 62.831 CB :: 31.651 CG1 :: 17.328 CG2 :: 22.375 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.230 HA :: 3.739 HB :: 1.873 HG11 :: 0.877 HG12 :: 0.877 HG13 :: 0.877 HG21 :: 1.005 HG22 :: 1.005 HG23 :: 1.005 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 111.528 Ave N Shift Values>> N :: 121.14(4.54) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.424 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.230 HA2 :: 4.309 HA3 :: 4.533 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.737 Ave N Shift Values>> N :: 109.67(3.87) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 I 0.17 W 0.17 E 0.09 V 0.07 R 0.06 H 0.06 Q 0.05 K 0.01 P 0.01 M 0.01 C Shift Assignments>> CA :: 60.786 CB :: 29.696 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.047 HA :: 3.555 HB2 :: 1.589 HB3 :: 2.359 HG2 :: 0.894 HG3 :: 1.289 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.263 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 T 0.18 V 0.17 C 0.09 S 0.05 F 0.05 Y 0.05 P 0.04 W 0.04 E 0.01 R 0.01 K 0.01 C Shift Assignments>> CA :: 61.306 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.527 HA :: 4.280 HB2 :: 3.639 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.101 Ave N Shift Values>> N :: 116.28(3.52) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.35 C 0.02 I 0.01 C Shift Assignments>> CA :: 54.380 CB :: 18.588 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.309 HA :: 4.013 HB1 :: 1.370 HB2 :: 1.370 HB3 :: 1.370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.671 Ave N Shift Values>> N :: 123.23(3.54) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 L 0.36 R 0.18 G 0.05 C Shift Assignments>> CA :: 58.540 CB :: 43.182 CG :: 27.351 CD1 :: 26.235 CD2 :: 24.025 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.701 HA :: 3.852 HB2 :: 1.119 HB3 :: 2.075 HG :: 1.810 HD11 :: 0.540 HD12 :: 0.540 HD13 :: 0.540 HD21 :: 0.737 HD22 :: 0.737 HD23 :: 0.737 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.347 Ave N Shift Values>> N :: 121.86(3.9) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 68.184 CB :: 67.936 CG2 :: 21.447 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.508 HA :: 3.327 HB :: 4.093 HG1 :: 4.205 HG21 :: 0.403 HG22 :: 0.403 HG23 :: 0.403 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.479 Ave N Shift Values>> N :: 115.42(4.75) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.47 C Shift Assignments>> CA :: 58.106 CB :: 40.577 CG :: 27.145 CD1 :: 24.921 CD2 :: 22.195 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.913 HA :: 3.618 HB2 :: 1.386 HB3 :: 1.852 HG :: 1.576 HD11 :: 0.622 HD12 :: 0.622 HD13 :: 0.622 HD21 :: 0.703 HD22 :: 0.703 HD23 :: 0.703 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.283 Ave N Shift Values>> N :: 121.86(3.9) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.23 M 0.17 R 0.05 Q 0.02 HN Overlap>> 1.A146 1.A146 C Shift Assignments>> CA :: 58.236 CB :: 30.120 CG :: 30.826 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.846 HA :: 4.388 HB2 :: 2.020 HB3 :: 2.302 HG2 :: 2.535 HG3 :: 2.309 HE21 :: 6.487 HE22 :: 7.703 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.249 NE2 :: 107.430 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 C 0.31 HN Overlap>> 1.F89 1.F89 1.I111 1.I111 C Shift Assignments>> CA :: 61.162 CB :: 39.540 CD1 :: 131.423 CD2 :: 131.423 CE1 :: 130.218 CE2 :: 130.218 CZ :: 127.325 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.940 HA :: 3.763 HB2 :: 2.168 HB3 :: 2.550 HD1 :: 6.464 HD2 :: 6.464 HE1 :: 6.885 HE2 :: 6.885 HZ :: 6.616 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.468 Ave N Shift Values>> N :: 120.45(4.18) 1.M35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 M 0.4 A 0.04 C Shift Assignments>> CA :: 55.762 CB :: 30.031 CG :: 31.630 CE :: 15.324 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.457 HA :: 3.533 HB2 :: 1.129 HB3 :: 0.149(S) HG2 :: 1.929 HG3 :: 1.746 HE1 :: 1.691 HE2 :: 1.691 HE3 :: 1.691 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 114.158 Ave N Shift Values>> N :: 120.09(3.57) 1.Y36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> CA :: 56.064 CB :: 40.122 CD1 :: 133.217 CD2 :: 133.217 CE1 :: 117.693 CE2 :: 117.693 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.846 HA :: 4.887 HB2 :: 2.545 HB3 :: 3.359 HD1 :: 7.012 HD2 :: 7.012 HE1 :: 6.707 HE2 :: 6.707 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.152 Ave N Shift Values>> N :: 120.52(4.2) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 D 0.17 Y 0.17 F 0.16 C 0.12 L 0.07 I 0.01 E 0.01 HN Overlap>> 1.D80 1.D80 C Shift Assignments>> CA :: 55.126 CB :: 38.993 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.157 HA :: 4.688 HB2 :: 2.766 HB3 :: 2.832 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.831 Ave N Shift Values>> N :: 120.65(3.86) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.39 E 0.08 Q 0.03 C Shift Assignments>> CA :: 54.293 CB :: 33.488 CG :: 35.190 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.789 HA :: 4.521 HB2 :: 1.493 HB3 :: 1.693 HG2 :: 1.940 HG3 :: 2.004 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.859 Ave N Shift Values>> N :: 120.67(3.48) 1.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.26 C Shift Assignments>> CA :: 55.987 CB :: 40.107 CD1 :: 131.704 CD2 :: 131.704 CE1 :: 129.657 CE2 :: 129.657 CZ :: 129.579 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.427 HA :: 4.802 HB2 :: 2.733 HB3 :: 2.910 HD1 :: 6.953 HD2 :: 6.953 HE1 :: 6.404 HE2 :: 6.404 HZ :: 6.589 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.898 Ave N Shift Values>> N :: 120.45(4.18) 1.V40 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>> CA :: 60.794 CB :: 32.668 CG1 :: 20.101 CG2 :: 20.600 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.771 HA :: 3.771 HB :: 1.658 HG11 :: 0.639 HG12 :: 0.639 HG13 :: 0.639 HG21 :: 0.650 HG22 :: 0.650 HG23 :: 0.650 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.989 Ave N Shift Values>> N :: 121.14(4.54) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.38 M 0.1 I 0.03 K 0.03 Q 0.02 C Shift Assignments>> CA :: 57.082 CB :: 30.504 CG :: 36.613 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.900 HA :: 3.670 HB2 :: 1.664 HB3 :: 1.835 HG2 :: 2.015 HG3 :: 2.032 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.129 Ave N Shift Values>> N :: 120.67(3.48) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.2 N 0.15 F 0.09 Y 0.07 K 0.06 C 0.05 C Shift Assignments>> CA :: 53.940 CB :: 40.879 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.749 HA :: 4.464 HB2 :: 2.446 HB3 :: 2.541 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.928 Ave N Shift Values>> N :: 120.65(3.86) 1.Y43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D49 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.913 CB :: 64.965 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.848 HA :: 5.202 HB2 :: 3.556 HB3 :: 3.556 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.728 Ave N Shift Values>> N :: 116.28(3.52) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.75 C 0.24 C Shift Assignments>> CA :: 56.856 CB :: 41.911 CD1 :: 133.267 CD2 :: 133.267 CE1 :: 117.596 CE2 :: 117.596 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.859 HA :: 4.536 HB2 :: 2.576 HB3 :: 3.008 HD1 :: 7.001 HD2 :: 7.001 HE1 :: 6.783 HE2 :: 6.783 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.304 Ave N Shift Values>> N :: 120.52(4.2) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.29 K 0.25 G 0.05 C Shift Assignments>> CA :: 54.226 CB :: 33.703 CG :: 26.410 CD :: 42.831 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.435 HA :: 5.691 HB2 :: 1.569 HB3 :: 1.734 HG2 :: 1.399 HG3 :: 1.453 HD2 :: 2.929 HD3 :: 2.908 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.100 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 K 0.13 R 0.1 G 0.01 C Shift Assignments>> CA :: 55.069 CB :: 37.444 CG :: 24.451 CD :: 30.257 CE :: 41.820 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.590 HA :: 4.529 HB2 :: 1.547 HB3 :: 1.636 HG2 :: 1.146 HG3 :: 1.153 HD2 :: 0.997 HD3 :: 1.286 HE2 :: 2.411 HE3 :: 2.585 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.142 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.39 R 0.06 C Shift Assignments>> CA :: 55.618 CB :: 32.820 CG :: 24.927 CD :: 29.044 CE :: 41.537 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.349 HA :: 4.993 HB2 :: 1.571 HB3 :: 1.654 HG2 :: 1.117 HG3 :: 1.341 HD2 :: 1.494 HD3 :: 1.494 HE2 :: 2.748 HE3 :: 2.748 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.052 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.11 A 0.01 HN Overlap>> 1.F169 1.F169 C Shift Assignments>> CA :: 58.891 CB :: 35.896 CG1 :: 19.357 CG2 :: 22.171 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.941 HA :: 4.581 HB :: 2.095 HG11 :: 0.545 HG12 :: 0.545 HG13 :: 0.545 HG21 :: 0.727 HG22 :: 0.727 HG23 :: 0.727 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.943 Ave N Shift Values>> N :: 121.14(4.54) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> CA :: 61.794 CB :: 31.097 CG1 :: 21.051 CG2 :: 21.078 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.275 HA :: 4.352 HB :: 1.832 HG11 :: 0.582 HG12 :: 0.582 HG13 :: 0.582 HG21 :: 0.766 HG22 :: 0.766 HG23 :: 0.766 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.096 Ave N Shift Values>> N :: 121.14(4.54) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.25 C 0.13 R 0.03 A 0.03 C Shift Assignments>> CA :: 52.411 CB :: 44.561 CG :: 27.231 CD1 :: 23.722 CD2 :: 26.528 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.090 HA :: 4.554 HB2 :: 1.903 HB3 :: 0.781 HG :: 1.245 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 HD21 :: 0.767 HD22 :: 0.767 HD23 :: 0.767 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.741 Ave N Shift Values>> N :: 121.86(3.9) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.18 N 0.17 Y 0.17 L 0.11 C 0.1 I 0.01 C Shift Assignments>> CA :: 55.360 CB :: 39.566 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.559 HA :: 4.161 HB2 :: 2.567 HB3 :: 2.758 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 129.412 Ave N Shift Values>> N :: 120.65(3.86) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.972 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.941 HA2 :: 3.361 HA3 :: 4.108 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.245 Ave N Shift Values>> N :: 109.67(3.87) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.33 E 0.17 Q 0.06 C Shift Assignments>> CA :: 53.966 CB :: 32.149 CG :: 35.485 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.533 HA :: 4.521 HB2 :: 1.767 HB3 :: 1.938 HG2 :: 2.025 HG3 :: 2.150 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.747 Ave N Shift Values>> N :: 120.67(3.48) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.41 I 0.07 M 0.04 K 0.03 Q 0.01 C Shift Assignments>> CA :: 56.854 CB :: 29.915 CG :: 37.191 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.724 HA :: 4.576 HB2 :: 1.827 HB3 :: 1.827 HG2 :: 1.918 HG3 :: 2.124 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.650 Ave N Shift Values>> N :: 120.67(3.48) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.24 C Shift Assignments>> CA :: 59.002 CB :: 35.519 CG1 :: 20.133 CG2 :: 21.748 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.047 HA :: 4.597 HB :: 1.817 HG11 :: 0.633 HG12 :: 0.633 HG13 :: 0.633 HG21 :: 0.850 HG22 :: 0.850 HG23 :: 0.850 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.893 Ave N Shift Values>> N :: 121.14(4.54) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.36 E 0.11 Q 0.06 C Shift Assignments>> CA :: 54.103 CB :: 32.731 CG :: 35.162 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.256 HA :: 5.210 HB2 :: 1.664 HB3 :: 1.809 HG2 :: 1.855 HG3 :: 2.194 HE21 :: 6.753 HE22 :: 7.278 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.474 NE2 :: 110.793 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 I 0.24 A 0.01 C Shift Assignments>> CA :: 57.454 CB :: 40.268 CG1 :: 28.996 CG2 :: 15.271 CD1 :: 13.808 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.903 HA :: 5.077 HB :: 1.951 HG12 :: 1.536 HG13 :: 0.949 HG21 :: 0.935 HG22 :: 0.935 HG23 :: 0.935 HD11 :: 0.672 HD12 :: 0.672 HD13 :: 0.672 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.751 Ave N Shift Values>> N :: 121.46(4.28) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.06 C 0.01 D 0.01 C Shift Assignments>> CA :: 51.897 CB :: 45.217 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.506 HA :: 5.528 HB2 :: 2.054 HB3 :: 2.553 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.739 Ave N Shift Values>> N :: 120.65(3.86) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.4 C Shift Assignments>> CA :: 60.002 CB :: 41.576 CG1 :: 27.502 CG2 :: 18.883 CD1 :: 15.442 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.472 HA :: 4.653 HB :: 1.556 HG12 :: 0.545 HG13 :: 1.456 HG21 :: 0.768 HG22 :: 0.768 HG23 :: 0.768 HD11 :: 0.434 HD12 :: 0.434 HD13 :: 0.434 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.636 Ave N Shift Values>> N :: 121.46(4.28) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.19 R 0.05 A 0.05 G 0.02 C Shift Assignments>> CA :: 53.817 CB :: 42.461 CG :: 27.289 CD1 :: 25.285 CD2 :: 23.073 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.682 HA :: 4.778 HB2 :: 1.377 HB3 :: 1.841 HG :: 1.177 HD11 :: 0.472 HD12 :: 0.472 HD13 :: 0.472 HD21 :: 0.535 HD22 :: 0.535 HD23 :: 0.535 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.983 Ave N Shift Values>> N :: 121.86(3.9) 1.D68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 63.348 CB :: 71.339 CG2 :: 21.620 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.359 HB :: 4.194 HG21 :: 1.002 HG22 :: 1.002 HG23 :: 1.002 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.9 M 0.06 C 0.02 L 0.01 C Shift Assignments>> CA :: 52.283 CB :: 19.653 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.408 HB1 :: 1.134 HB2 :: 1.134 HB3 :: 1.134 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> CA :: 46.431 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.189 HA2 :: 3.727 HA3 :: 4.164 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.972 Ave N Shift Values>> N :: 109.67(3.87) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.26 A 0.03 R 0.02 G 0.01 C Shift Assignments>> CA :: 54.904 CB :: 42.182 CG :: 26.661 CD1 :: 23.310 CD2 :: 25.070 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.029 HA :: 4.360 HB2 :: 1.541 HB3 :: 1.579 HG :: 1.576 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 HD21 :: 0.832 HD22 :: 0.832 HD23 :: 0.832 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.454 Ave N Shift Values>> N :: 121.86(3.9) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.33 K 0.09 Q 0.07 I 0.05 M 0.05 C Shift Assignments>> CA :: 57.405 CB :: 29.742 CG :: 36.148 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.514 HA :: 4.104 HB2 :: 1.896 HB3 :: 1.933 HG2 :: 2.200 HG3 :: 2.200 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.768 Ave N Shift Values>> N :: 120.67(3.48) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.2 N 0.12 F 0.1 Y 0.08 K 0.07 C 0.06 HN Overlap>> 1.D182 1.D182 C Shift Assignments>> CA :: 54.427 CB :: 40.889 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.112 HA :: 4.432 HB2 :: 2.271 HB3 :: 2.415 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.364 Ave N Shift Values>> N :: 120.65(3.86) 1.Y75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> CA :: 57.007 CB :: 38.142 CD1 :: 132.860 CD2 :: 132.860 CE1 :: 118.039 CE2 :: 118.039 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.960 HA :: 4.532 HB2 :: 2.797 HB3 :: 3.046 HD1 :: 7.040 HD2 :: 7.040 HE1 :: 6.727 HE2 :: 6.727 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.636 Ave N Shift Values>> N :: 120.52(4.2) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.44 C 0.02 I 0.02 C Shift Assignments>> CA :: 54.792 CB :: 18.377 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.168 HA :: 3.798 HB1 :: 1.298 HB2 :: 1.298 HB3 :: 1.298 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.770 Ave N Shift Values>> N :: 123.23(3.54) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.38 C 0.01 I 0.01 C Shift Assignments>> CA :: 54.140 CB :: 18.166 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.051 HA :: 4.005 HB1 :: 1.291 HB2 :: 1.291 HB3 :: 1.291 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.181 Ave N Shift Values>> N :: 123.23(3.54) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> CA :: 62.410 CB :: 37.728 CG1 :: 27.841 CG2 :: 17.308 CD1 :: 12.547 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.221 HA :: 3.749 HB :: 1.777 HG12 :: 1.354 HG13 :: 1.057 HG21 :: 0.693 HG22 :: 0.693 HG23 :: 0.693 HD11 :: 0.710 HD12 :: 0.710 HD13 :: 0.710 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.653 Ave N Shift Values>> N :: 121.46(4.28) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.39 K 0.13 G 0.04 L 0.02 HN Overlap>> 1.E97 1.E97 C Shift Assignments>> CA :: 58.413 CB :: 29.544 CG :: 26.465 CD :: 43.099 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.715 HA :: 3.449 HB2 :: 1.479 HB3 :: 1.479 HG2 :: 1.337 HG3 :: 1.337 HD2 :: 3.080 HD3 :: 3.080 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.835 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.27 C 0.13 D 0.1 L 0.08 I 0.06 N 0.03 HN Overlap>> 1.D37 1.D37 C Shift Assignments>> CA :: 57.140 CB :: 39.692 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.127 HA :: 4.057 HB2 :: 2.453 HB3 :: 2.556 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.810 Ave N Shift Values>> N :: 120.65(3.86) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.2 Y 0.19 C 0.18 F 0.15 E 0.07 D 0.07 M 0.03 I 0.03 L 0.02 C Shift Assignments>> CA :: 55.570 CB :: 38.015 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.532 HA :: 4.361 HB2 :: 2.639 HB3 :: 2.668 HD21 :: 7.410 HD22 :: 6.821 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.056 ND2 :: 112.494 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> CA :: 58.806 CB :: 37.093 CD1 :: 132.136 CD2 :: 132.136 CE1 :: 117.964 CE2 :: 117.964 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.773 HA :: 4.496 HB2 :: 2.890 HB3 :: 3.090 HD1 :: 6.914 HD2 :: 6.914 HE1 :: 6.696 HE2 :: 6.696 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.126 Ave N Shift Values>> N :: 120.52(4.2) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 F 0.05 C Shift Assignments>> CA :: 57.734 CB :: 37.010 CD1 :: 129.354 CD2 :: 129.354 CE1 :: 131.212 CE2 :: 131.212 CZ :: 131.696 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.555 HA :: 4.701 HB2 :: 3.027 HB3 :: 3.437 HD1 :: 7.018 HD2 :: 7.018 HE1 :: 7.302 HE2 :: 7.302 HZ :: 7.214 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.295 Ave N Shift Values>> N :: 120.45(4.18) 1.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.31 K 0.1 G 0.06 C Shift Assignments>> CA :: 59.834 CB :: 30.032 CG :: 28.674 CD :: 43.158 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.280 HA :: 3.796 HB2 :: 1.874 HB3 :: 1.874 HG2 :: 1.611 HG3 :: 1.760 HD2 :: 3.165 HD3 :: 3.232 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.585 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.173 CB :: 63.840 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.452 HA :: 4.325 HB2 :: 3.901 HB3 :: 3.925 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.790 Ave N Shift Values>> N :: 116.28(3.52) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.476 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.671 HA2 :: 3.114 HA3 :: 3.588 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.431 Ave N Shift Values>> N :: 109.67(3.87) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.33 M 0.14 Q 0.05 K 0.04 I 0.01 C Shift Assignments>> CA :: 55.426 CB :: 30.545 CG :: 36.342 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.973 HA :: 4.462 HB2 :: 1.973 HB3 :: 2.392 HG2 :: 2.375 HG3 :: 2.375 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.435 Ave N Shift Values>> N :: 120.67(3.48) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.398 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.392 HA2 :: 3.070 HA3 :: 4.890 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.090 Ave N Shift Values>> N :: 109.67(3.87) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.19 G 0.02 HN Overlap>> 1.F34 1.I111 1.F34 1.I111 C Shift Assignments>> CA :: 57.143 CB :: 42.473 CD1 :: 131.967 CD2 :: 131.967 CE1 :: 130.427 CE2 :: 130.427 CZ :: 129.268 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.011 HA :: 4.915 HB2 :: 2.204 HB3 :: 2.512 HD1 :: 6.938 HD2 :: 6.938 HE1 :: 6.805 HE2 :: 6.805 HZ :: 7.514 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.470 Ave N Shift Values>> N :: 120.45(4.18) 1.L90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.75 C 0.23 HN Overlap>> 1.L12 1.L12 C Shift Assignments>> CA :: 53.266 CB :: 40.930 CG :: 25.876 CD1 :: 25.600 CD2 :: 25.919 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.105 HA :: 4.310 HB2 :: 1.640 HB3 :: 0.815 HG :: 0.983 HD11 :: -0.269(S) HD12 :: -0.269(S) HD13 :: -0.269(S) HD21 :: 0.299 HD22 :: 0.299 HD23 :: 0.299 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.470 Ave N Shift Values>> N :: 121.86(3.9) 1.C91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.15 R 0.14 K 0.13 C 0.12 W 0.11 H 0.1 E 0.09 L 0.07 I 0.03 M 0.01 C Shift Assignments>> CA :: 56.871 CB :: 28.073 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.158 HA :: 4.636 HB2 :: 1.409(S) HB3 :: 2.716 HG :: 1.108 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 125.418 Ave N Shift Values>> N :: 120.17(4.64) 1.V92 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>> CA :: 60.529 CB :: 33.202 CG1 :: 22.747 CG2 :: 21.493 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.180 HA :: 5.011 HB :: 1.687 HG11 :: 0.514 HG12 :: 0.514 HG13 :: 0.514 HG21 :: 0.606 HG22 :: 0.606 HG23 :: 0.606 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 129.217 Ave N Shift Values>> N :: 121.14(4.54) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 C 0.47 C Shift Assignments>> CA :: 55.034 CB :: 40.280 CD1 :: 133.533 CD2 :: 133.533 CE1 :: 130.589 CE2 :: 130.589 CZ :: 129.900 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.291 HA :: 4.876 HB2 :: 2.760 HB3 :: 3.511 HD1 :: 7.311 HD2 :: 7.311 HE1 :: 6.892 HE2 :: 6.892 HZ :: 7.291 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.458 Ave N Shift Values>> N :: 120.45(4.18) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C Shift Assignments>> CA :: 54.112 CB :: 64.441 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.940 HA :: 4.838 HB2 :: 3.507 HB3 :: 3.753 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.451 Ave N Shift Values>> N :: 116.28(3.52) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> CA :: 64.272 CB :: 38.019 CG1 :: 26.202 CG2 :: 18.132 CD1 :: 15.046 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.684 HA :: 4.079 HB :: 2.017 HG12 :: 0.840 HG13 :: 1.010 HG21 :: 0.718 HG22 :: 0.718 HG23 :: 0.718 HD11 :: 0.457 HD12 :: 0.457 HD13 :: 0.457 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.499 Ave N Shift Values>> N :: 121.46(4.28) 1.T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 T 0.33 C Shift Assignments>> CA :: 61.428 CB :: 68.668 CG2 :: 24.090 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.182 HA :: 4.446 HB :: 4.470 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.080 Ave N Shift Values>> N :: 115.42(4.75) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.32 E 0.22 Q 0.01 HN Overlap>> 1.R79 1.R79 C Shift Assignments>> CA :: 54.212 CB :: 32.312 CG :: 36.505 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.718 HA :: 4.858 HB2 :: 1.758 HB3 :: 2.154 HG2 :: 2.154 HG3 :: 2.325 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.783 Ave N Shift Values>> N :: 120.67(3.48) 1.M98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.42 C Shift Assignments>> CA :: 58.435 CB :: 30.945 CG :: 31.872 CE :: 16.989 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.577 HA :: 4.252 HB2 :: 2.071 HB3 :: 2.102 HG2 :: 2.573 HG3 :: 2.665 HE1 :: 2.083 HE2 :: 2.083 HE3 :: 2.083 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 131.387 Ave N Shift Values>> N :: 120.09(3.57) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.33 E 0.24 K 0.04 Q 0.01 C Shift Assignments>> CA :: 60.146 CB :: 28.765 CG :: 36.617 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.903 HA :: 4.097 HB2 :: 1.995 HB3 :: 2.048 HG2 :: 2.349 HG3 :: 2.360 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.911 Ave N Shift Values>> N :: 120.67(3.48) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.702 CB :: 63.228 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.607 HA :: 4.596 HB2 :: 4.295 HB3 :: 4.295 HG :: 6.206 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.484 Ave N Shift Values>> N :: 116.28(3.52) 1.F101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> CA :: 59.601 CB :: 39.353 CD1 :: 131.538 CD2 :: 131.538 CE1 :: 129.799 CE2 :: 129.799 CZ :: 128.336 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.384 HA :: 3.878 HB2 :: 2.681 HB3 :: 3.214 HD1 :: 5.942(S) HD2 :: 5.942(S) HE1 :: 6.664 HE2 :: 6.664 HZ :: 6.542 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.155 Ave N Shift Values>> N :: 120.45(4.18) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.27 I 0.03 C 0.01 C Shift Assignments>> CA :: 55.144 CB :: 17.272 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.667 HA :: 3.890 HB1 :: 1.443 HB2 :: 1.443 HB3 :: 1.443 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.265 Ave N Shift Values>> N :: 123.23(3.54) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.3 C 0.02 C Shift Assignments>> CA :: 53.997 CB :: 18.560 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.533 HA :: 4.145 HB1 :: 1.578 HB2 :: 1.578 HB3 :: 1.578 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.238 Ave N Shift Values>> N :: 123.23(3.54) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> CA :: 66.126 CB :: 69.309 CG2 :: 23.553 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.417 HA :: 3.998 HB :: 4.341 HG21 :: 1.673 HG22 :: 1.673 HG23 :: 1.673 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.451 Ave N Shift Values>> N :: 115.42(4.75) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.43 I 0.03 C 0.02 C Shift Assignments>> CA :: 54.999 CB :: 18.206 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.940 HA :: 4.258 HB1 :: 1.475 HB2 :: 1.475 HB3 :: 1.475 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.261 Ave N Shift Values>> N :: 123.23(3.54) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.23 D 0.15 C 0.12 L 0.11 N 0.05 I 0.04 K 0.01 C Shift Assignments>> CA :: 56.697 CB :: 39.961 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.269 HA :: 4.308 HB2 :: 2.392 HB3 :: 2.501 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.842 Ave N Shift Values>> N :: 120.65(3.86) 1.F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> CA :: 61.591 CB :: 38.746 CD1 :: 130.804 CD2 :: 130.804 CE1 :: 131.610 CE2 :: 131.610 CZ :: 129.955 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.518 HA :: 4.205 HB2 :: 2.851 HB3 :: 2.851 HD1 :: 7.133 HD2 :: 7.133 HE1 :: 7.424 HE2 :: 7.424 HZ :: 7.191 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.740 Ave N Shift Values>> N :: 120.45(4.18) 1.R108 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.54 K 0.35 R 0.05 L 0.04 HN Overlap>> 1.N150 1.M172 1.R173 1.N150 1.M172 1.R173 C Shift Assignments>> CA :: 59.801 CB :: 28.994 CG :: 26.052 CD :: 41.201 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.225 HA :: 3.378 HB2 :: 0.853(S) HB3 :: 1.251 HG2 :: 0.247(S) HG3 :: 0.247(S) HD2 :: 0.533(A) HD3 :: 0.831(S) HE :: 6.347 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.102 NE :: 84.378 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HD2 > HB2 : 0.9950) (HD3 > HB2 : 0.9950) (HD2 > HB3 : 0.9951) (HD3 > HB3 : 0.9958) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.3 I 0.13 K 0.11 Q 0.07 M 0.01 C Shift Assignments>> CA :: 59.277 CB :: 29.066 CG :: 35.732 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.441 HA :: 3.634 HB2 :: 1.991 HB3 :: 1.991 HG2 :: 2.095 HG3 :: 2.212 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.623 Ave N Shift Values>> N :: 120.67(3.48) 1.Q110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.27 Q 0.21 R 0.12 M 0.03 E 0.01 C Shift Assignments>> CA :: 58.591 CB :: 28.321 CG :: 32.969 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.799 HA :: 3.870 HB2 :: 2.129 HB3 :: 2.191 HG2 :: 2.370 HG3 :: 2.468 HE21 :: 7.353 HE22 :: 6.357 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.749 NE2 :: 109.882 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.83 C 0.16 HN Overlap>> 1.D182 1.F89 1.F34 1.D182 1.F89 1.F34 C Shift Assignments>> CA :: 65.302 CB :: 37.624 CG1 :: 28.980 CG2 :: 16.104 CD1 :: 14.950 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.970 HA :: 2.970 HB :: 1.257 HG12 :: -0.705(S) HG13 :: 1.026 HG21 :: -0.318(S) HG22 :: -0.318(S) HG23 :: -0.318(S) HD11 :: 0.117 HD12 :: 0.117 HD13 :: 0.117 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.417 Ave N Shift Values>> N :: 121.46(4.28) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.42 C Shift Assignments>> CA :: 58.095 CB :: 40.126 CG :: 27.432 CD1 :: 23.778 CD2 :: 22.546 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.010 HA :: 3.580 HB2 :: 1.268 HB3 :: 1.461 HG :: 1.463 HD11 :: 0.385 HD12 :: 0.385 HD13 :: 0.385 HD21 :: 0.448 HD22 :: 0.448 HD23 :: 0.448 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.548 Ave N Shift Values>> N :: 121.86(3.9) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.41 K 0.1 G 0.03 L 0.01 C Shift Assignments>> CA :: 58.800 CB :: 29.705 CG :: 26.766 CD :: 42.981 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.745 HA :: 3.928 HB2 :: 1.819 HB3 :: 1.843 HG2 :: 1.478 HG3 :: 1.559 HD2 :: 3.091 HD3 :: 3.163 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.577 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> CA :: 64.265 CB :: 32.054 CG1 :: 21.427 CG2 :: 21.983 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.646 HA :: 3.928 HB :: 2.092 HG11 :: 0.980 HG12 :: 0.980 HG13 :: 0.980 HG21 :: 1.117 HG22 :: 1.117 HG23 :: 1.117 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.983 Ave N Shift Values>> N :: 121.14(4.54) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.3 K 0.2 L 0.01 A 0.01 C Shift Assignments>> CA :: 54.718 CB :: 30.475 CG :: 24.176 CD :: 26.963 CE :: 41.491 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.280 HA :: 4.244 HB2 :: 1.692 HB3 :: 1.834 HG2 :: 1.335 HG3 :: 1.582 HD2 :: 1.752 HD3 :: 1.999 HE2 :: 3.076 HE3 :: 3.249 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.270 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.27 I 0.17 K 0.04 Q 0.02 L 0.01 C Shift Assignments>> CA :: 56.970 CB :: 27.318 CG :: 36.719 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.989 HA :: 3.758 HB2 :: 2.046 HB3 :: 2.046 HG2 :: 2.040 HG3 :: 2.040 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.203 Ave N Shift Values>> N :: 120.67(3.48) 1.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.28 R 0.12 K 0.09 N 0.05 C 0.04 F 0.04 Y 0.02 G 0.02 C Shift Assignments>> CA :: 52.929 CB :: 42.444 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 6.758 HA :: 4.578 HB2 :: 2.382 HB3 :: 2.489 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.727 Ave N Shift Values>> N :: 120.65(3.86) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.32 K 0.11 Q 0.08 I 0.05 M 0.03 C Shift Assignments>> CA :: 57.272 CB :: 29.470 CG :: 36.031 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.629 HA :: 3.938 HB2 :: 1.795 HB3 :: 1.926 HG2 :: 2.078 HG3 :: 2.141 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.189 Ave N Shift Values>> N :: 120.67(3.48) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.14 C 0.08 F 0.04 Y 0.04 L 0.03 C Shift Assignments>> CA :: 51.843 CB :: 38.726 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.436 HA :: 4.805 HB2 :: 2.526 HB3 :: 2.861 HD21 :: 6.895 HD22 :: 7.683 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.141 ND2 :: 113.462 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.39 C Shift Assignments>> CA :: 59.237 CB :: 32.756 CG1 :: 20.019 CG2 :: 21.552 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.932 HA :: 4.210 HB :: 2.044 HG11 :: 0.813 HG12 :: 0.813 HG13 :: 0.813 HG21 :: 1.034 HG22 :: 1.034 HG23 :: 1.034 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.242 Ave N Shift Values>> N :: 121.14(4.54) 1.P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 64.288 CB :: 32.046 CG :: 28.187 CD :: 51.046 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.449 HB2 :: 2.110 HB3 :: 1.942 HG2 :: 1.696 HG3 :: 1.969 HD2 :: 3.947 HD3 :: 3.947 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.2 G 0.02 C Shift Assignments>> CA :: 56.692 CB :: 42.298 CD1 :: 132.001 CD2 :: 132.001 CE1 :: 129.560 CE2 :: 129.560 CZ :: 129.001 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.203 HA :: 5.449 HB2 :: 2.895 HB3 :: 3.118 HD1 :: 6.904 HD2 :: 6.904 HE1 :: 6.942 HE2 :: 6.942 HZ :: 7.105 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 128.286 Ave N Shift Values>> N :: 120.45(4.18) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 G 0.4 L 0.09 HN Overlap>> 1.V154 1.V154 C Shift Assignments>> CA :: 54.992 CB :: 46.462 CG :: 28.669 CD1 :: 26.100 CD2 :: 25.534 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.053 HA :: 4.760 HB2 :: 1.211 HB3 :: 1.382 HG :: 1.524 HD11 :: 0.729 HD12 :: 0.729 HD13 :: 0.729 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 0.790 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.687 Ave N Shift Values>> N :: 121.86(3.9) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.22 C 0.22 R 0.06 A 0.02 C Shift Assignments>> CA :: 54.033 CB :: 44.829 CG :: 28.074 CD1 :: 23.716 CD2 :: 26.113 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.173 HA :: 5.087 HB2 :: 2.539 HB3 :: 1.443 HG :: 2.092 HD11 :: 1.483 HD12 :: 1.483 HD13 :: 1.483 HD21 :: 0.874 HD22 :: 0.874 HD23 :: 0.874 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.528 Ave N Shift Values>> N :: 121.86(3.9) 1.V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.4 C Shift Assignments>> CA :: 60.276 CB :: 34.710 CG1 :: 22.205 CG2 :: 22.822 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.069 HA :: 4.906 HB :: 1.644 HG11 :: 0.496 HG12 :: 0.496 HG13 :: 0.496 HG21 :: 0.615 HG22 :: 0.615 HG23 :: 0.615 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.956 Ave N Shift Values>> N :: 121.14(4.54) 1.G126 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.662 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.165 HA2 :: 2.722(S) HA3 :: 2.920 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.070 Ave N Shift Values>> N :: 109.67(3.87) 1.N127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.31 L 0.14 C 0.06 F 0.04 Y 0.02 K 0.02 C Shift Assignments>> CA :: 51.154 CB :: 40.932 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.790 HA :: 5.475 HB2 :: 2.092 HB3 :: 2.516 HD21 :: 7.567 HD22 :: 6.864 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.657 ND2 :: 112.739 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.43 R 0.11 C Shift Assignments>> CA :: 57.155 CB :: 32.437 CG :: 23.759 CD :: 28.944 CE :: 41.799 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.189 HA :: 4.105 HB2 :: 1.744 HB3 :: 1.744 HG2 :: 1.332 HG3 :: 1.332 HD2 :: 1.594 HD3 :: 1.594 HE2 :: 2.904 HE3 :: 2.904 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 110.614 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.322 CB :: 62.614 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.075 HA :: 3.772 HB2 :: 3.469 HB3 :: 3.942 HG :: 5.476 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.090 Ave N Shift Values>> N :: 116.28(3.52) 1.D130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.24 L 0.12 F 0.12 Y 0.1 C 0.08 C Shift Assignments>> CA :: 54.356 CB :: 39.886 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.650 HA :: 4.468 HB2 :: 2.521 HB3 :: 2.585 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.473 Ave N Shift Values>> N :: 120.65(3.86) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 C 0.35 L 0.2 C Shift Assignments>> CA :: 52.510 CB :: 39.318 CG :: 25.607 CD1 :: 22.448 CD2 :: 26.497 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.011 HA :: 4.602 HB2 :: 1.839 HB3 :: 1.261 HG :: 1.422 HD11 :: 0.645 HD12 :: 0.645 HD13 :: 0.645 HD21 :: 0.859 HD22 :: 0.859 HD23 :: 0.859 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.135 Ave N Shift Values>> N :: 121.86(3.9) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.22 K 0.19 E 0.16 M 0.04 I 0.03 C Shift Assignments>> CA :: 59.008 CB :: 29.680 CG :: 34.450 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.716 HA :: 3.703 HB2 :: 1.833 HB3 :: 2.092 HG2 :: 2.093 HG3 :: 2.342 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.988 Ave N Shift Values>> N :: 120.67(3.48) 1.D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 Y 0.19 F 0.19 N 0.17 C 0.12 L 0.09 I 0.02 C Shift Assignments>> CA :: 55.537 CB :: 39.366 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.696 HA :: 4.298 HB2 :: 2.589 HB3 :: 2.589 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.295 Ave N Shift Values>> N :: 120.65(3.86) 1.K134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.27 R 0.16 C Shift Assignments>> CA :: 53.813 CB :: 32.474 CG :: 24.306 CD :: 28.628 CE :: 42.048 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.733 HA :: 4.433 HB2 :: 1.603 HB3 :: 2.116 HG2 :: 1.267 HG3 :: 1.360 HD2 :: 1.541 HD3 :: 1.613 HE2 :: 2.928 HE3 :: 2.928 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.926 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.37 G 0.08 K 0.07 C Shift Assignments>> CA :: 58.454 CB :: 31.572 CD :: 43.588 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.273 HA :: 3.402 HB2 :: 1.504 HB3 :: 1.864 HG2 :: 1.062 HG3 :: 1.344 HD2 :: 2.836 HD3 :: 3.509 HE :: 7.992 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.455 NE :: 80.450 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.3 Q 0.19 E 0.05 K 0.01 C Shift Assignments>> CA :: 55.460 CB :: 32.027 CG :: 33.856 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.399 HA :: 4.431 HB2 :: 1.400 HB3 :: 2.178 HG2 :: 2.354 HG3 :: 2.584 HE21 :: 6.857 HE22 :: 7.346 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.503 NE2 :: 110.526 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V137 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.66 V 0.33 C Shift Assignments>> CA :: 60.782 CB :: 33.261 CG1 :: 19.150 CG2 :: 19.830 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.352 HA :: 3.845 HB :: 1.827 HG11 :: -0.118(S) HG12 :: -0.118(S) HG13 :: -0.118(S) HG21 :: 0.716 HG22 :: 0.716 HG23 :: 0.716 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.084 Ave N Shift Values>> N :: 121.14(4.54) 1.S138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.623 CB :: 64.510 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.073 HA :: 4.233 HB2 :: 3.867 HB3 :: 4.162 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.671 Ave N Shift Values>> N :: 116.28(3.52) 1.V139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> CA :: 66.073 CB :: 31.692 CG1 :: 21.188 CG2 :: 22.166 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.635 HA :: 3.466 HB :: 1.866 HG11 :: 0.916 HG12 :: 0.916 HG13 :: 0.916 HG21 :: 1.134 HG22 :: 1.134 HG23 :: 1.134 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.328 Ave N Shift Values>> N :: 121.14(4.54) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.3 I 0.22 K 0.06 Q 0.02 C Shift Assignments>> CA :: 59.732 CB :: 29.070 CG :: 36.300 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.207 HA :: 3.719 HB2 :: 1.729 HB3 :: 1.869 HG2 :: 2.101 HG3 :: 2.157 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.734 Ave N Shift Values>> N :: 120.67(3.48) 1.E141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.13 K 0.1 Q 0.05 C Shift Assignments>> CA :: 58.581 CB :: 28.887 CG :: 36.105 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.824 HA :: 3.841 HB2 :: 1.505 HB3 :: 1.865 HG2 :: 1.807 HG3 :: 2.111 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.492 Ave N Shift Values>> N :: 120.67(3.48) 1.A142 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.64 A 0.3 I 0.03 C 0.01 C Shift Assignments>> CA :: 54.949 CB :: 17.258 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.275 HA :: 3.598 HB1 :: 0.468(S) HB2 :: 0.468(S) HB3 :: 0.468(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.406 Ave N Shift Values>> N :: 123.23(3.54) 1.K143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.41 R 0.13 C Shift Assignments>> CA :: 59.083 CB :: 31.866 CG :: 25.664 CD :: 28.944 CE :: 41.942 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.568 HA :: 3.610 HB2 :: 1.727 HB3 :: 1.773 HG2 :: 1.427 HG3 :: 1.549 HD2 :: 1.563 HD3 :: 1.748 HE2 :: 2.970 HE3 :: 2.994 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.853 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 C 0.19 F 0.17 N 0.15 E 0.08 D 0.06 I 0.03 M 0.03 L 0.02 HN Overlap>> 1.D165 1.D165 C Shift Assignments>> CA :: 55.927 CB :: 37.988 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.013 HA :: 4.267 HB2 :: 2.553 HB3 :: 2.715 HD21 :: 7.534 HD22 :: 6.767 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.439 ND2 :: 111.976 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R145 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.42 C 0.4 L 0.15 C Shift Assignments>> CA :: 58.191 CB :: 28.707 CG :: 23.859 CD :: 41.537 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.180 HA :: 3.410 HB2 :: 1.492 HB3 :: 1.492 HG2 :: -0.115(S) HG3 :: -0.107(S) HD2 :: 1.808(S) HD3 :: 2.258 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.794 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.43 I 0.03 C 0.02 HN Overlap>> 1.Q33 1.Q33 C Shift Assignments>> CA :: 54.979 CB :: 18.206 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.867 HA :: 3.669 HB1 :: 1.494 HB2 :: 1.494 HB3 :: 1.494 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.211 Ave N Shift Values>> N :: 123.23(3.54) 1.D147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.25 D 0.12 C 0.12 L 0.1 I 0.05 N 0.03 K 0.02 C Shift Assignments>> CA :: 57.019 CB :: 39.994 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.647 HA :: 4.420 HB2 :: 2.570 HB3 :: 2.762 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.232 Ave N Shift Values>> N :: 120.65(3.86) 1.Q148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.25 K 0.2 R 0.12 E 0.03 I 0.02 M 0.01 C Shift Assignments>> CA :: 58.429 CB :: 27.706 CG :: 33.683 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.702 HA :: 3.916 HB2 :: 1.954 HB3 :: 2.033 HG2 :: 2.284 HG3 :: 2.408 HE21 :: 6.674 HE22 :: 7.226 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.533 NE2 :: 111.217 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 W 0.43 C Shift Assignments>> CA :: 54.205 CB :: 30.299 CD1 :: 122.906 CE3 :: 119.280 CZ2 :: 113.359 CZ3 :: 120.404 CH2 :: 123.327 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.666 HA :: 4.644 HB2 :: 2.907 HB3 :: 3.155 HD1 :: 6.751 HE1 :: 9.879 HE3 :: 7.059 HZ2 :: 7.036 HZ3 :: 6.929 HH2 :: 6.770 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.720 NE1 :: 126.716 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 C 0.18 E 0.11 Y 0.1 F 0.07 M 0.05 D 0.04 L 0.01 I 0.01 K 0.01 HN Overlap>> 1.R108 1.R108 1.R173 1.R173 C Shift Assignments>> CA :: 54.240 CB :: 37.319 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.203 HA :: 4.417 HB2 :: 2.753 HB3 :: 3.124 HD21 :: 7.495 HD22 :: 6.668 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.189 ND2 :: 112.204 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.11 A 0.02 C Shift Assignments>> CA :: 58.417 CB :: 35.608 CG1 :: 22.032 CG2 :: 18.716 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.346 HA :: 4.944 HB :: 2.783 HG11 :: 0.990 HG12 :: 0.990 HG13 :: 0.990 HG21 :: 1.169 HG22 :: 1.169 HG23 :: 1.169 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 110.248 Ave N Shift Values>> N :: 121.14(4.54) 1.N152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.3 L 0.1 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> CA :: 52.570 CB :: 39.959 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.953 HA :: 4.926 HB2 :: 2.542 HB3 :: 2.614 HD21 :: 6.878 HD22 :: 7.608 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.101 ND2 :: 113.998 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 HN Overlap>> 1.K179 1.K179 C Shift Assignments>> CA :: 54.859 CB :: 40.984 CD1 :: 132.037 CD2 :: 132.037 CE1 :: 119.126 CE2 :: 119.126 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.133 HA :: 5.921 HB2 :: 2.568 HB3 :: 2.816 HD1 :: 7.441 HD2 :: 7.441 HE1 :: 6.644 HE2 :: 6.644 HH :: 11.483 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.943 Ave N Shift Values>> N :: 120.52(4.2) 1.V154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.32 HN Overlap>> 1.L123 1.L123 C Shift Assignments>> CA :: 60.131 CB :: 36.069 CG1 :: 21.917 CG2 :: 21.861 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.060 HA :: 3.670 HB :: 1.345 HG11 :: 0.588 HG12 :: 0.588 HG13 :: 0.588 HG21 :: 0.664 HG22 :: 0.664 HG23 :: 0.664 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.741 Ave N Shift Values>> N :: 121.14(4.54) 1.E155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.3 M 0.15 Q 0.08 K 0.06 C Shift Assignments>> CA :: 54.702 CB :: 30.375 CG :: 36.049 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.171 HA :: 5.137 HB2 :: 1.629 HB3 :: 1.629 HG2 :: 2.157 HG3 :: 2.157 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.076 Ave N Shift Values>> N :: 120.67(3.48) 1.T156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 T 0.26 C Shift Assignments>> CA :: 59.105 CB :: 73.065 CG2 :: 22.583 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.902 HA :: 4.745 HB :: 3.831 HG21 :: 0.637 HG22 :: 0.637 HG23 :: 0.637 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.629 Ave N Shift Values>> N :: 115.42(4.75) 1.S157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.025 CB :: 64.061 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.986 HA :: 4.874 HB2 :: 3.936 HB3 :: 3.936 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.537 Ave N Shift Values>> N :: 116.28(3.52) 1.A158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.36 C 0.02 I 0.01 C Shift Assignments>> CA :: 54.360 CB :: 18.463 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.990 HA :: 3.817 HB1 :: 1.442 HB2 :: 1.442 HB3 :: 1.442 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.950 Ave N Shift Values>> N :: 123.23(3.54) 1.K159 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.47 C 0.46 R 0.05 C Shift Assignments>> CA :: 57.829 CB :: 33.706 CG :: 24.516 CD :: 29.413 CE :: 41.948 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.867 HA :: 2.379(S) HB2 :: 0.348(S) HB3 :: 0.967 HG2 :: 0.396(S) HG3 :: 0.602 HD2 :: 1.179 HD3 :: 1.319 HE2 :: 2.682 HE3 :: 2.724 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.114 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.T160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> CA :: 60.959 CB :: 69.047 CG2 :: 21.000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.689 HA :: 4.044 HB :: 4.333 HG1 :: 5.245 HG21 :: 0.957 HG22 :: 0.957 HG23 :: 0.957 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 105.771 Ave N Shift Values>> N :: 115.42(4.75) 1.R161 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 K 0.3 G 0.05 C Shift Assignments>> CA :: 58.457 CB :: 29.809 CG :: 31.902(S) CD :: 43.102 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.599 HA :: 3.414 HB2 :: 1.684 HB3 :: 2.119 HG2 :: 1.176 HG3 :: 1.705 HD2 :: 3.028 HD3 :: 3.028 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.226 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.33 C 0.01 C Shift Assignments>> CA :: 53.768 CB :: 18.202 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.535 HA :: 4.047 HB1 :: 1.102 HB2 :: 1.102 HB3 :: 1.102 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.080 Ave N Shift Values>> N :: 123.23(3.54) 1.N163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.21 E 0.15 M 0.09 Y 0.08 F 0.06 D 0.02 K 0.01 C Shift Assignments>> CA :: 54.123 CB :: 36.865 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.914 HA :: 4.523 HB2 :: 2.697 HB3 :: 3.160 HD21 :: 7.855 HD22 :: 6.747 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.657 ND2 :: 111.887 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> CA :: 67.405 CB :: 31.137 CG1 :: 24.423 CG2 :: 21.138 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.353 HA :: 3.361 HB :: 1.826 HG11 :: 0.707 HG12 :: 0.707 HG13 :: 0.707 HG21 :: 1.000 HG22 :: 1.000 HG23 :: 1.000 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.795 Ave N Shift Values>> N :: 121.14(4.54) 1.D165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.28 C 0.15 I 0.1 D 0.06 L 0.05 N 0.02 HN Overlap>> 1.N144 1.N144 C Shift Assignments>> CA :: 57.750 CB :: 39.347 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.029 HA :: 4.478 HB2 :: 2.448 HB3 :: 2.454 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.504 Ave N Shift Values>> N :: 120.65(3.86) 1.K166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 HN Overlap>> 1.R178 1.R178 C Shift Assignments>> CA :: 59.600 CB :: 32.212 CG :: 24.766 CD :: 29.278 CE :: 42.157 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.688 HA :: 3.858 HB2 :: 1.462 HB3 :: 1.689 HG2 :: 0.822 HG3 :: 1.382 HD2 :: 1.250 HD3 :: 1.543 HE2 :: 2.623 HE3 :: 3.028 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.123 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.31 C Shift Assignments>> CA :: 65.678 CB :: 30.181 CG1 :: 18.503 CG2 :: 23.549 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.374 HA :: 3.629 HB :: 1.638 HG11 :: 0.620 HG12 :: 0.620 HG13 :: 0.620 HG21 :: 0.682 HG22 :: 0.682 HG23 :: 0.682 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 109.324 Ave N Shift Values>> N :: 121.14(4.54) 1.F168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 F 0.45 C Shift Assignments>> CA :: 62.941 CB :: 39.162 CD1 :: 130.627 CD2 :: 130.627 CE1 :: 128.213 CE2 :: 128.213 CZ :: 129.779 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.645 HA :: 3.627 HB2 :: 1.818 HB3 :: 2.058 HD1 :: 6.735 HD2 :: 6.735 HE1 :: 6.663 HE2 :: 6.663 HZ :: 6.670 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.762 Ave N Shift Values>> N :: 120.45(4.18) 1.F169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 HN Overlap>> 1.V20 1.V55 1.V20 1.V55 C Shift Assignments>> CA :: 61.400 CB :: 37.658 CD1 :: 130.829 CD2 :: 130.829 CE1 :: 130.830 CE2 :: 130.830 CZ :: 129.433 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.864 HA :: 4.060 HB2 :: 2.826 HB3 :: 3.207 HD1 :: 7.368 HD2 :: 7.368 HE1 :: 7.402 HE2 :: 7.402 HZ :: 7.268 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.956 Ave N Shift Values>> N :: 120.45(4.18) 1.D170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.25 C 0.18 I 0.09 D 0.05 N 0.04 L 0.03 E 0.03 M 0.01 C Shift Assignments>> CA :: 57.375 CB :: 38.669 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.419 HA :: 4.307 HB2 :: 2.393 HB3 :: 2.694 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.699 Ave N Shift Values>> N :: 120.65(3.86) 1.L171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 L 0.24 R 0.05 A 0.01 C Shift Assignments>> CA :: 57.492 CB :: 41.019 CG :: 26.245 CD1 :: 27.982 CD2 :: 22.620 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.498 HA :: 3.938 HB2 :: 1.595 HB3 :: 1.344 HG :: 1.211 HD11 :: 0.476 HD12 :: 0.476 HD13 :: 0.476 HD21 :: 0.610 HD22 :: 0.610 HD23 :: 0.610 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.713 Ave N Shift Values>> N :: 121.86(3.9) 1.M172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 M 0.17 HN Overlap>> 1.R108 1.R108 1.R173 1.R173 C Shift Assignments>> CA :: 60.932 CB :: 35.268 CG :: 33.250 CE :: 17.307 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.121 HA :: 3.347 HB2 :: 1.585 HB3 :: 2.360 HG2 :: 1.813 HG3 :: 2.757 HE1 :: 1.483 HE2 :: 1.483 HE3 :: 1.483 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.110 Ave N Shift Values>> N :: 120.09(3.57) 1.R173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.23 G 0.16 K 0.05 L 0.01 HN Overlap>> 1.R108 1.N150 1.M172 1.R108 1.N150 1.M172 C Shift Assignments>> CA :: 60.930 CB :: 29.059 CG :: 26.137 CD :: 43.631 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.192 HA :: 3.623 HB2 :: 1.924 HB3 :: 1.917 HG2 :: 1.389 HG3 :: 1.784 HD2 :: 3.008 HD3 :: 3.259 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.084 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.3 K 0.12 Q 0.1 I 0.08 M 0.02 C Shift Assignments>> CA :: 59.208 CB :: 29.558 CG :: 35.476 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.524 HA :: 4.106 HB2 :: 2.094 HB3 :: 2.204 HG2 :: 2.290 HG3 :: 2.339 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.538 Ave N Shift Values>> N :: 120.67(3.48) 1.I175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> CA :: 65.872 CB :: 38.001 CG1 :: 27.551 CG2 :: 19.091 CD1 :: 14.964 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.174 HA :: 3.390 HB :: 1.370 HG12 :: 0.639 HG13 :: 1.594 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 HD11 :: 0.459 HD12 :: 0.459 HD13 :: 0.459 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.694 Ave N Shift Values>> N :: 121.46(4.28) 1.R176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.17 E 0.13 R 0.11 H 0.1 Q 0.07 V 0.05 K 0.05 I 0.05 M 0.03 C Shift Assignments>> CA :: 59.508 CB :: 30.316 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.483 HA :: 3.612 HB2 :: 1.477 HB3 :: 1.960 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.645 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.37 I 0.03 C 0.02 C Shift Assignments>> CA :: 54.978 CB :: 17.785 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.774 HA :: 4.034 HB1 :: 1.467 HB2 :: 1.467 HB3 :: 1.467 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.631 Ave N Shift Values>> N :: 123.23(3.54) 1.R178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.34 R 0.13 L 0.13 HN Overlap>> 1.K166 1.K166 C Shift Assignments>> CA :: 57.060 CB :: 28.807 CG :: 26.215 CD :: 41.628 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.679 HA :: 4.106 HB2 :: 2.005 HB3 :: 2.029 HG2 :: 1.638 HG3 :: 1.941 HD2 :: 3.215 HD3 :: 3.215 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.154 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 Q 0.19 R 0.18 K 0.1 I 0.02 E 0.01 HN Overlap>> 1.Y153 1.Y153 C Shift Assignments>> CA :: 58.900 CB :: 33.334 CD :: 26.893 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.065 HA :: 4.034 HB2 :: 1.846 HB3 :: 1.846 HD2 :: 1.309 HD3 :: 1.617 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.956 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.45 A 0.03 C Shift Assignments>> CA :: 56.760 CB :: 32.312 CG :: 32.015 CE :: 16.449 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.900 HA :: 4.262 HB2 :: 2.060 HB3 :: 2.139 HG2 :: 2.561 HG3 :: 2.697 HE1 :: 2.031 HE2 :: 2.031 HE3 :: 2.031 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.302 Ave N Shift Values>> N :: 120.09(3.57) 1.E181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.32 K 0.11 Q 0.09 I 0.05 M 0.04 C Shift Assignments>> CA :: 57.393 CB :: 29.665 CG :: 35.966 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.709 HA :: 4.105 HB2 :: 2.039 HB3 :: 2.039 HG2 :: 2.263 HG3 :: 2.350 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.857 Ave N Shift Values>> N :: 120.67(3.48) 1.D182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.11 F 0.11 K 0.08 Y 0.08 C 0.06 HN Overlap>> 1.D74 1.I111 1.D74 1.I111 C Shift Assignments>> CA :: 54.558 CB :: 40.942 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.028 HA :: 4.585 HB2 :: 2.600 HB3 :: 2.697 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.328 Ave N Shift Values>> N :: 120.65(3.86) 1.S183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.256 CB :: 63.677 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.887 HA :: 4.402 HB2 :: 3.856 HB3 :: 3.856 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.301 Ave N Shift Values>> N :: 116.28(3.52) 1.K184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.44 R 0.09 C Shift Assignments>> CA :: 57.664 CB :: 33.315 CG :: 24.522 CD :: 28.965 CE :: 42.015 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.731 HA :: 4.078 HB2 :: 1.680 HB3 :: 1.772 HG2 :: 1.349 HG3 :: 1.349 HD2 :: 1.593 HD3 :: 1.593 HE2 :: 2.916 HE3 :: 2.916 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.853 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.GNP1 Overall Status: Residue type GNP not supported. ########################################################################### Overall Results: #Consistent: 172 #Clerical: 0 #Suspicious: 11 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 166 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 18 Shift Relative Order (SRO) Results: #Consistent: 182 #Suspicious: 2 C Shift Results: #Consistent: 582 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1155 #Duplicate: 0 #Unknown: 0 #Suspicious: 28 #Anomalous: 1 N Shift Results: #Consistent: 177 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M35 HB3 = 0.149(S), Expected = 1.99, Std = 0.3400, ChiSquare = 6.1390e-08 1.L90 HD11 = -0.269(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7340e-04 1.L90 HD12 = -0.269(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7340e-04 1.L90 HD13 = -0.269(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7340e-04 1.C91 HB2 = 1.409(S), Expected = 2.96, Std = 0.4400, ChiSquare = 4.2348e-04 1.F101 HD1 = 5.942(S), Expected = 7.06, Std = 0.3100, ChiSquare = 3.1041e-04 1.F101 HD2 = 5.942(S), Expected = 7.06, Std = 0.3100, ChiSquare = 3.1041e-04 1.R108 HB2 = 0.853(S), Expected = 1.79, Std = 0.2700, ChiSquare = 5.1974e-04 1.R108 HG2 = 0.247(S), Expected = 1.57, Std = 0.2700, ChiSquare = 9.5837e-07 1.R108 HG3 = 0.247(S), Expected = 1.54, Std = 0.2900, ChiSquare = 8.2489e-06 1.R108 HD2 = 0.533(A), Expected = 3.12, Std = 0.2400, ChiSquare = 4.3178e-27 1.R108 HD3 = 0.831(S), Expected = 3.10, Std = 0.2600, ChiSquare = 2.6169e-18 1.R108 SRO Rule Break>> HD2 > HB2 : 0.994969040247678 1.R108 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.R108 SRO Rule Break>> HD2 > HB3 : 0.995112016293279 1.R108 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.I111 HG12 = -0.705(S), Expected = 1.28, Std = 0.4000, ChiSquare = 6.9592e-07 1.I111 HG21 = -0.318(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.5865e-05 1.I111 HG22 = -0.318(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.5865e-05 1.I111 HG23 = -0.318(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.5865e-05 1.G126 HA2 = 2.722(S), Expected = 3.97, Std = 0.3700, ChiSquare = 7.4361e-04 1.V137 HG11 = -0.118(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.6619e-04 1.V137 HG12 = -0.118(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.6619e-04 1.V137 HG13 = -0.118(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.6619e-04 1.A142 HB1 = 0.468(S), Expected = 1.35, Std = 0.2600, ChiSquare = 6.9307e-04 1.A142 HB2 = 0.468(S), Expected = 1.35, Std = 0.2600, ChiSquare = 6.9307e-04 1.A142 HB3 = 0.468(S), Expected = 1.35, Std = 0.2600, ChiSquare = 6.9307e-04 1.R145 HG2 = -0.115(S), Expected = 1.57, Std = 0.2700, ChiSquare = 4.3550e-10 1.R145 HG3 = -0.107(S), Expected = 1.54, Std = 0.2900, ChiSquare = 1.3524e-08 1.R145 HD2 = 1.808(S), Expected = 3.12, Std = 0.2400, ChiSquare = 4.5858e-08 1.K159 HA = 2.379(S), Expected = 4.27, Std = 0.4400, ChiSquare = 1.7256e-05 1.K159 HB2 = 0.348(S), Expected = 1.78, Std = 0.2500, ChiSquare = 1.0162e-08 1.K159 HG2 = 0.396(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.7957e-04 1.K159 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K159 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.R161 CG = 31.902(S), Expected = 27.21, Std = 1.2000, ChiSquare = 9.2296e-05