Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.927 CA :: 58.715 CB :: 63.934 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.472 HB2 :: 3.906 HB3 :: 3.906 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.952 CA :: 45.364 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.348 HA2 :: 3.919 HA3 :: 3.919 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.435 Ave N Shift Values>> N :: 109.91(4.29) 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.38 A 0.16 C Shift Assignments>> C :: 176.019 CA :: 55.472 CB :: 33.598 CG :: 31.994 CE :: 17.303 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.163 HA :: 4.486 HB2 :: 1.982 HB3 :: 2.080 HG2 :: 2.531 HG3 :: 2.562 HE1 :: 2.062 HE2 :: 2.062 HE3 :: 2.062 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.481 Ave N Shift Values>> N :: 120.1(3.88) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.19 C 0.02 C Shift Assignments>> C :: 177.349 CA :: 52.481 CB :: 19.322 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.436 HA :: 4.381 HB1 :: 1.420 HB2 :: 1.420 HB3 :: 1.420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.433 Ave N Shift Values>> N :: 123.23(3.7) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.323 CA :: 58.607 CB :: 63.979 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.372 HA :: 4.470 HB2 :: 3.850 HB3 :: 3.901 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.383 Ave N Shift Values>> N :: 116.3(3.95) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.692 CA :: 58.189 CB :: 64.081 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.111 HA :: 4.487 HB2 :: 3.861 HB3 :: 3.861 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.549 Ave N Shift Values>> N :: 116.3(3.95) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 174.930 CA :: 61.847 CB :: 33.269 CG1 :: 20.614 CG2 :: 21.599 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.207 HA :: 4.150 HB :: 1.988 HG11 :: 0.831 HG12 :: 0.831 HG13 :: 0.831 HG21 :: 0.851 HG22 :: 0.851 HG23 :: 0.851 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.502 Ave N Shift Values>> N :: 121.02(4.96) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.23 K 0.12 C 0.1 N 0.08 R 0.07 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.009 CA :: 53.249 CB :: 41.891 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.953 HA :: 4.661 HB2 :: 2.923 HB3 :: 2.730 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.104 Ave N Shift Values>> N :: 120.73(4.2) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.26 K 0.04 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.863 CA :: 59.932 CB :: 29.670 CG :: 36.579 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.568 HA :: 3.944 HB2 :: 2.051 HB3 :: 2.051 HG2 :: 2.287 HG3 :: 2.354 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.197 Ave N Shift Values>> N :: 120.68(3.68) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.17 K 0.1 Q 0.05 M 0.01 C Shift Assignments>> C :: 178.511 CA :: 59.101 CB :: 28.917 CG :: 35.988 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.312 HA :: 4.244 HB2 :: 2.034 HB3 :: 2.106 HG2 :: 2.333 HG3 :: 2.333 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.713 Ave N Shift Values>> N :: 120.68(3.68) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.43 C 0.03 I 0.02 C Shift Assignments>> C :: 181.428 CA :: 54.830 CB :: 18.371 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.047 HA :: 4.093 HB1 :: 1.473 HB2 :: 1.473 HB3 :: 1.473 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.041 Ave N Shift Values>> N :: 123.23(3.7) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.36 R 0.02 C Shift Assignments>> C :: 177.590 CA :: 57.623 CB :: 41.323 CG :: 26.685 CD1 :: 24.757 CD2 :: 23.610 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.042 HA :: 3.838 HB2 :: 1.726 HB3 :: 1.509 HG :: 1.573 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.826 HD22 :: 0.826 HD23 :: 0.826 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.436 Ave N Shift Values>> N :: 121.98(4.07) 1.H18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.4 H 0.31 C 0.28 C Shift Assignments>> C :: 178.114 CA :: 59.415 CB :: 29.560 CD2 :: 119.916 CE1 :: 137.727 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.182 HA :: 4.435 HB2 :: 3.307 HB3 :: 3.412 HD2 :: 7.144 HE1 :: 8.137 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.394 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.24 K 0.24 R 0.09 E 0.09 I 0.02 M 0.02 C Shift Assignments>> C :: 179.132 CA :: 58.406 CB :: 28.118 CG :: 33.722 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.178 HA :: 3.904 HB2 :: 2.118 HB3 :: 2.118 HG2 :: 2.571 HG3 :: 2.571 HE21 :: 6.893 HE22 :: 7.835 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.623 NE2 :: 113.530 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.46 R 0.04 C Shift Assignments>> C :: 178.466 CA :: 58.278 CB :: 40.850 CG :: 27.110 CD1 :: 24.095 CD2 :: 26.057 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.949 HA :: 4.233 HB2 :: 1.580 HB3 :: 2.087 HG :: 1.571 HD11 :: 0.959 HD12 :: 0.959 HD13 :: 0.959 HD21 :: 0.860 HD22 :: 0.860 HD23 :: 0.860 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.817 Ave N Shift Values>> N :: 121.98(4.07) 1.Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.42 C Shift Assignments>> C :: 178.654 CA :: 60.605 CB :: 36.667 CD1 :: 132.162 CD2 :: 132.162 CE1 :: 117.775 CE2 :: 117.775 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.376 HA :: 4.286 HB2 :: 3.202 HB3 :: 3.143 HD1 :: 7.135 HD2 :: 7.135 HE1 :: 6.801 HE2 :: 6.801 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.825 Ave N Shift Values>> N :: 120.79(4.69) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.33 R 0.06 G 0.01 C Shift Assignments>> C :: 178.877 CA :: 57.887 CB :: 42.250 CG :: 26.564 CD1 :: 25.112 CD2 :: 23.197 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.869 HA :: 4.076 HB2 :: 1.788 HB3 :: 1.543 HG :: 1.614 HD11 :: 0.790 HD12 :: 0.790 HD13 :: 0.790 HD21 :: 0.879 HD22 :: 0.879 HD23 :: 0.879 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.954 Ave N Shift Values>> N :: 121.98(4.07) 1.W23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.61 C 0.37 H 0.01 C Shift Assignments>> C :: 178.471 CA :: 60.711 CB :: 28.035 CD1 :: 127.545 CE3 :: 121.122 CZ2 :: 113.594 CZ3 :: 120.326 CH2 :: 122.952 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.804 HA :: 4.436 HB2 :: 3.234 HB3 :: 3.809 HD1 :: 7.437 HE1 :: 10.482 HE3 :: 7.680 HZ2 :: 7.193 HZ3 :: 6.704 HH2 :: 6.717 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.668 NE1 :: 130.843 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 178.212 CA :: 66.014 CB :: 31.826 CG1 :: 21.953 CG2 :: 22.784 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.503 HA :: 3.084 HB :: 2.142 HG11 :: 0.923 HG12 :: 0.923 HG13 :: 0.923 HG21 :: 1.013 HG22 :: 1.013 HG23 :: 1.013 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.831 Ave N Shift Values>> N :: 121.02(4.96) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 K 0.17 Y 0.15 L 0.14 C 0.13 D 0.11 R 0.04 I 0.03 N 0.01 C Shift Assignments>> C :: 177.163 CA :: 57.043 CB :: 41.067 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.140 HA :: 4.290 HB2 :: 2.809 HB3 :: 2.567 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.894 Ave N Shift Values>> N :: 120.73(4.2) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.28 C 0.12 L 0.1 F 0.07 Y 0.07 K 0.02 C Shift Assignments>> C :: 174.227 CA :: 53.375 CB :: 40.048 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.229 HA :: 4.607 HB2 :: 2.888 HB3 :: 2.750 HD21 :: 6.927 HD22 :: 7.679 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.914 ND2 :: 113.888 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.48 C Shift Assignments>> C :: 173.764 CA :: 58.327 CB :: 39.403 CG1 :: 26.650 CG2 :: 15.903 CD1 :: 12.961 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.212 HA :: 3.628 HB :: 1.349 HG12 :: 0.231 HG13 :: 1.116 HG21 :: 0.161 HG22 :: 0.161 HG23 :: 0.161 HD11 :: -0.082 HD12 :: -0.082 HD13 :: -0.082 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.268 Ave N Shift Values>> N :: 121.6(4.72) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 175.419 CA :: 62.584 CB :: 30.056 CG :: 27.652 CD :: 50.654 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.354 HB2 :: 1.914 HB3 :: 1.914 HG2 :: 1.862 HG3 :: 1.971 HD2 :: 3.274 HD3 :: 2.692 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.28 C 0.14 A 0.01 C Shift Assignments>> C :: 178.577 CA :: 53.358 CB :: 45.279 CG :: 26.366 CD1 :: 26.206 CD2 :: 23.949 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.118 HA :: 4.748 HB2 :: 1.589 HB3 :: 1.386 HG :: 1.593 HD11 :: 0.772 HD12 :: 0.772 HD13 :: 0.772 HD21 :: 0.800 HD22 :: 0.800 HD23 :: 0.800 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.355 Ave N Shift Values>> N :: 121.98(4.07) 1.S30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.4 R 0.23 G 0.21 K 0.13 C Shift Assignments>> CA :: 53.250 CB :: 32.107 CG :: 29.626 CD :: 43.652 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> HA :: 4.787 HB2 :: 1.972 HB3 :: 1.324 HG2 :: 1.645 HG3 :: 1.645 HD2 :: 2.902 HD3 :: 3.174 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 1.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 62.865 CB :: 32.193 CG :: 27.416 CD :: 50.640 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.300 HB2 :: 2.293 HB3 :: 1.772 HG2 :: 1.970 HG3 :: 1.970 HD2 :: 3.743 HD3 :: 3.551 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.36 K 0.34 R 0.17 M 0.08 G 0.02 C Shift Assignments>> CA :: 56.154 CB :: 32.368 CG :: 24.294 CD :: 30.211 CE :: 42.539 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 4.361 HB2 :: 1.653 HB3 :: 1.820 HG2 :: 1.323 HG3 :: 1.497 HD2 :: 1.639 HD3 :: 1.667 HE2 :: 2.931 HE3 :: 2.988 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.38 R 0.3 K 0.21 Q 0.06 M 0.01 C Shift Assignments>> CB :: 31.894 CG :: 27.436 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.410 HA :: 4.336 HB2 :: 1.891 HG2 :: 1.545 HD2 :: 3.184 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.768 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.25 C 0.14 Y 0.07 F 0.07 L 0.06 C Shift Assignments>> CA :: 53.153 CB :: 39.425 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.771 HB2 :: 2.784 HB3 :: 2.784 HD21 :: 7.762 HD22 :: 7.057 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 112.585 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.43 R 0.08 G 0.01 C Shift Assignments>> CA :: 60.191 CB :: 41.876 CG :: 27.041 CD1 :: 25.702 CD2 :: 24.773 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.305 HA :: 4.140 HB2 :: 1.446 HB3 :: 1.768 HG :: 1.635 HD11 :: 0.676 HD12 :: 0.676 HD13 :: 0.676 HD21 :: 0.669 HD22 :: 0.669 HD23 :: 0.669 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 110.943 Ave N Shift Values>> N :: 121.98(4.07) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 61.673 CB :: 62.700 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.080 HB2 :: 3.771 HB3 :: 3.894 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.R38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.773 HA :: 4.587 HB2 :: 1.787 HB3 :: 1.915 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.288 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.25 C 0.18 I 0.09 L 0.06 D 0.06 K 0.04 N 0.01 C Shift Assignments>> CA :: 58.026 CB :: 40.039 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.487 HA :: 4.518 HB2 :: 2.637 HB3 :: 2.637 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.607 Ave N Shift Values>> N :: 120.73(4.2) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> CA :: 59.420 CB :: 39.030 CD1 :: 131.808 CD2 :: 131.808 CE1 :: 131.115 CE2 :: 131.115 CZ :: 128.968 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.300 HA :: 4.605 HB2 :: 3.421 HB3 :: 3.372 HD1 :: 7.428 HD2 :: 7.428 HE1 :: 7.071 HE2 :: 7.071 HZ :: 6.852 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.310 Ave N Shift Values>> N :: 120.69(4.18) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.290 CB :: 64.510 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.441 HA :: 4.341 HB2 :: 4.510 HB3 :: 4.595 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.417 Ave N Shift Values>> N :: 116.3(3.95) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.19 R 0.16 C 0.1 K 0.1 F 0.04 Y 0.03 N 0.03 G 0.02 C Shift Assignments>> C :: 176.013 CA :: 53.746 CB :: 42.695 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.726 HA :: 4.780 HB2 :: 3.275 HB3 :: 2.894 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.563 Ave N Shift Values>> N :: 120.73(4.2) 1.G43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.75 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 173.476 CA :: 45.230 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.388 HA2 :: 3.131 HA3 :: 2.588(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.643 Ave N Shift Values>> N :: 109.91(4.29) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 177.853 CA :: 67.198 CB :: 31.139 CG1 :: 21.146 CG2 :: 23.131 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.874 HA :: 3.018 HB :: 1.976 HG11 :: 0.775 HG12 :: 0.775 HG13 :: 0.775 HG21 :: 0.519 HG22 :: 0.519 HG23 :: 0.519 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.300 Ave N Shift Values>> N :: 121.02(4.96) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.43 R 0.01 A 0.01 C Shift Assignments>> C :: 179.257 CA :: 57.466 CB :: 40.503 CG :: 26.741 CD1 :: 22.616 CD2 :: 25.835 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.945 HA :: 3.838 HB2 :: 0.730 HB3 :: 0.784 HG :: 1.440 HD11 :: 0.525 HD12 :: 0.525 HD13 :: 0.525 HD21 :: 0.236 HD22 :: 0.236 HD23 :: 0.236 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.495 Ave N Shift Values>> N :: 121.98(4.07) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 176.954 CA :: 67.288 CB :: 30.173 CG1 :: 21.904 CG2 :: 24.709 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.422 HA :: 3.469 HB :: 1.739 HG11 :: 0.717 HG12 :: 0.717 HG13 :: 0.717 HG21 :: 1.279 HG22 :: 1.279 HG23 :: 1.279 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.354 Ave N Shift Values>> N :: 121.02(4.96) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 A 0.18 I 0.09 C 0.02 C Shift Assignments>> C :: 178.880 CA :: 55.991 CB :: 17.292 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.272 HA :: 3.576 HB1 :: 0.921 HB2 :: 0.921 HB3 :: 0.921 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.963 Ave N Shift Values>> N :: 123.23(3.7) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 I 0.35 E 0.25 M 0.02 K 0.01 HN Overlap>> 1.M57 1.M57 C Shift Assignments>> C :: 180.175 CA :: 60.605 CB :: 30.467 CG :: 37.271 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.081 HA :: 3.851 HB2 :: 2.042 HB3 :: 2.128 HG2 :: 2.575 HG3 :: 2.126 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.763 Ave N Shift Values>> N :: 120.68(3.68) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.168 CA :: 67.146 CB :: 31.543 CG1 :: 22.327 CG2 :: 23.421 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.325 HA :: 3.530 HB :: 2.463 HG11 :: 0.980 HG12 :: 0.980 HG13 :: 0.980 HG21 :: 1.081 HG22 :: 1.081 HG23 :: 1.081 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.024 Ave N Shift Values>> N :: 121.02(4.96) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 177.890 CA :: 66.217 CB :: 37.952 CG1 :: 29.700 CG2 :: 18.106 CD1 :: 15.563 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.947 HA :: 3.757 HB :: 1.814 HG12 :: 2.043 HG13 :: 0.942 HG21 :: 0.925 HG22 :: 0.925 HG23 :: 0.925 HD11 :: 0.716 HD12 :: 0.716 HD13 :: 0.716 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.821 Ave N Shift Values>> N :: 121.6(4.72) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.3 R 0.29 M 0.02 G 0.01 C Shift Assignments>> C :: 176.668 CA :: 58.277 CB :: 32.898 CG :: 25.561 CD :: 30.231 CE :: 42.525 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.790 HA :: 3.816 HB2 :: 2.072 HB3 :: 1.778 HG2 :: 1.601 HG3 :: 1.601 HD2 :: 1.635 HD3 :: 1.671 HE2 :: 3.177 HE3 :: 3.027 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.589 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.35 C Shift Assignments>> C :: 176.831 CA :: 60.585 CB :: 38.775 CD1 :: 131.931 CD2 :: 131.931 CE1 :: 131.039 CE2 :: 131.039 CZ :: 129.639 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.768 HA :: 4.090 HB2 :: 3.174 HB3 :: 3.301 HD1 :: 6.816 HD2 :: 6.816 HE1 :: 7.071 HE2 :: 7.071 HZ :: 7.150 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.622 Ave N Shift Values>> N :: 120.69(4.18) 1.Y53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.38 C Shift Assignments>> C :: 175.972 CA :: 61.264 CB :: 41.522 CD1 :: 134.027 CD2 :: 134.027 CE1 :: 117.898 CE2 :: 117.898 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.346 HA :: 3.697 HB2 :: 2.832 HB3 :: 2.079 HD1 :: 7.346 HD2 :: 7.346 HE1 :: 6.925 HE2 :: 6.925 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.876 Ave N Shift Values>> N :: 120.79(4.69) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.46 C Shift Assignments>> C :: 173.424 CA :: 55.553 CB :: 40.841 CD1 :: 133.214 CD2 :: 133.214 CE1 :: 130.374 CE2 :: 130.374 CZ :: 128.965 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.877 HA :: 5.173 HB2 :: 2.849 HB3 :: 3.228 HD1 :: 7.351 HD2 :: 7.351 HE1 :: 7.347 HE2 :: 7.347 HZ :: 7.188 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.478 Ave N Shift Values>> N :: 120.69(4.18) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 C 0.09 C Shift Assignments>> C :: 179.255 CA :: 65.147 CB :: 32.014 CG :: 27.230 CD :: 50.099 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.591 HB2 :: 2.451 HB3 :: 2.001 HG2 :: 2.100 HG3 :: 2.013 HD2 :: 3.321 HD3 :: 3.817 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.26 M 0.01 C Shift Assignments>> C :: 178.220 CA :: 56.918 CB :: 31.868 CG :: 25.617 CD :: 28.942 CE :: 42.167 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.639 HA :: 4.384 HB2 :: 1.924 HB3 :: 1.999 HG2 :: 1.500 HG3 :: 1.603 HD2 :: 1.736 HD3 :: 1.736 HE2 :: 3.026 HE3 :: 3.026 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 113.672 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.33 A 0.04 I 0.01 HN Overlap>> 1.E48 1.E48 C Shift Assignments>> C :: 174.856 CA :: 57.537 CB :: 35.400 CG :: 33.786 CE :: 17.133 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.099 HA :: 4.260 HB2 :: 2.179 HB3 :: 2.272 HG2 :: 2.568 HG3 :: 2.608 HE1 :: 1.732 HE2 :: 1.732 HE3 :: 1.732 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.692 Ave N Shift Values>> N :: 120.1(3.88) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.36 I 0.02 C Shift Assignments>> C :: 173.747 CA :: 60.834 CB :: 36.223 CG1 :: 22.642 CG2 :: 21.199 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.872 HA :: 4.421 HB :: 1.699 HG11 :: 0.994 HG12 :: 0.994 HG13 :: 0.994 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.727 Ave N Shift Values>> N :: 121.02(4.96) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 M 0.11 K 0.09 Q 0.06 I 0.01 C Shift Assignments>> C :: 176.450 CA :: 54.465 CB :: 30.020 CG :: 36.151 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.783 HA :: 4.671 HB2 :: 1.765 HB3 :: 1.765 HG2 :: 2.162 HG3 :: 2.162 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.314 Ave N Shift Values>> N :: 120.68(3.68) 1.M60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.36 A 0.04 C Shift Assignments>> C :: 178.387 CA :: 55.751 CB :: 29.356 CG :: 31.036 CE :: 15.284 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.004 HA :: 4.613 HB2 :: 2.049 HB3 :: 2.175 HG2 :: 2.367 HG3 :: 2.948 HE1 :: 2.136 HE2 :: 2.136 HE3 :: 2.136 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.273 Ave N Shift Values>> N :: 120.1(3.88) 1.H61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.32 C 0.31 C Shift Assignments>> C :: 175.800 CA :: 57.963 CB :: 29.235 CD2 :: 118.667 CE1 :: 138.669 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.198 HA :: 4.341 HB2 :: 3.155 HB3 :: 2.940 HD2 :: 6.806 HE1 :: 7.738 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 115.823 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.N62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.29 C 0.18 D 0.17 Y 0.13 F 0.11 L 0.04 E 0.02 I 0.01 C Shift Assignments>> C :: 173.014 CA :: 54.503 CB :: 38.749 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 6.895 HA :: 3.872 HB2 :: 1.232(S) HB3 :: 1.071(S) HD21 :: 7.149 HD22 :: 7.230 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.093 ND2 :: 115.999 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 173.223 CA :: 56.311 CB :: 39.138 CD1 :: 132.665 CD2 :: 132.665 CE1 :: 119.916 CE2 :: 119.916 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.255 HA :: 4.481 HB2 :: 2.698 HB3 :: 2.488 HD1 :: 6.776 HD2 :: 6.776 HE1 :: 6.854 HE2 :: 6.854 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.560 Ave N Shift Values>> N :: 120.79(4.69) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.36 A 0.01 C Shift Assignments>> C :: 173.983 CA :: 58.601 CB :: 33.747 CG1 :: 20.575 CG2 :: 19.829 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.750 HA :: 4.469 HB :: 1.990 HG11 :: 0.926 HG12 :: 0.926 HG13 :: 0.926 HG21 :: 0.847 HG22 :: 0.847 HG23 :: 0.847 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.318 Ave N Shift Values>> N :: 121.02(4.96) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.821 CA :: 63.212 CB :: 31.279 CG :: 28.118 CD :: 50.746 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.348 HB2 :: 2.152 HB3 :: 1.879 HG2 :: 1.857 HG3 :: 2.165 HD2 :: 3.657 HD3 :: 3.905 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.18 K 0.16 M 0.05 R 0.03 A 0.02 P 0.01 C Shift Assignments>> C :: 176.244 CA :: 52.003 CB :: 24.137 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.563 HA :: 4.651 HB1 :: 1.496 HB2 :: 1.496 HB3 :: 1.496 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.896 Ave N Shift Values>> N :: 123.23(3.7) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.3 C 0.12 L 0.1 F 0.06 Y 0.06 K 0.02 C Shift Assignments>> C :: 174.896 CA :: 52.862 CB :: 40.168 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.988 HB2 :: 2.901 HB3 :: 2.809 HD21 :: 6.962 HD22 :: 7.657 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 113.529 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.542 CA :: 56.741 CB :: 65.267 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.777 HA :: 4.737 HB2 :: 4.239 HB3 :: 4.012 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.553 Ave N Shift Values>> N :: 116.3(3.95) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.52 C 0.39 R 0.07 C Shift Assignments>> C :: 178.629 CA :: 59.000 CB :: 41.679 CG :: 26.952 CD1 :: 24.534 CD2 :: 25.530 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> HA :: 3.961 HB2 :: 1.765 HB3 :: 1.806 HG :: 1.624 HD11 :: 0.950 HD12 :: 0.950 HD13 :: 0.950 HD21 :: 0.942 HD22 :: 0.942 HD23 :: 0.942 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.2 Q 0.2 E 0.08 R 0.07 I 0.05 P 0.03 M 0.01 C Shift Assignments>> C :: 178.954 CA :: 59.728 CB :: 27.912 CG :: 33.860 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.785 HA :: 3.977 HB2 :: 2.063 HB3 :: 2.173 HG2 :: 2.487 HG3 :: 2.487 HE21 :: 6.961 HE22 :: 7.579 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.924 NE2 :: 112.700 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.23 K 0.19 Q 0.19 I 0.04 M 0.03 R 0.02 C Shift Assignments>> C :: 178.724 CA :: 58.233 CB :: 29.089 CG :: 34.855 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.780 HA :: 4.219 HB2 :: 2.233 HB3 :: 2.059 HG2 :: 2.391 HG3 :: 2.465 HE21 :: 7.437 HE22 :: 7.307 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.694 NE2 :: 115.722 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.38 K 0.08 G 0.05 C Shift Assignments>> C :: 179.041 CA :: 61.528 CB :: 33.806 CG :: 26.582 CD :: 30.927 CE :: 42.691 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.094 HA :: 4.206 HB2 :: 2.416 HB3 :: 2.134 HG2 :: 1.208 HG3 :: 2.095 HD2 :: 1.720 HD3 :: 1.853 HE2 :: 2.862 HE3 :: 3.061 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.661 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.43 R 0.02 C Shift Assignments>> C :: 180.838 CA :: 58.118 CB :: 40.831 CG :: 26.844 CD1 :: 25.549 CD2 :: 22.681 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.602 HA :: 4.287 HB2 :: 2.032 HB3 :: 1.553 HG :: 1.856 HD11 :: 0.891 HD12 :: 0.891 HD13 :: 0.891 HD21 :: 0.772 HD22 :: 0.772 HD23 :: 0.772 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.098 Ave N Shift Values>> N :: 121.98(4.07) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.493 CA :: 61.971 CB :: 62.560 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.334 HA :: 4.431 HB2 :: 4.113 HB3 :: 4.154 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.060 Ave N Shift Values>> N :: 116.3(3.95) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.21 F 0.15 N 0.11 E 0.09 D 0.07 I 0.04 L 0.02 M 0.01 C Shift Assignments>> C :: 177.792 CA :: 56.090 CB :: 38.184 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.266 HA :: 4.739 HB2 :: 3.757 HB3 :: 2.687 HD21 :: 8.427 HD22 :: 8.299 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.688 ND2 :: 110.906 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.67 C 0.32 C Shift Assignments>> C :: 178.579 CA :: 62.294 CB :: 29.223 CD1 :: 126.753 CE3 :: 119.677 CZ2 :: 115.001 CZ3 :: 120.174 CH2 :: 123.134 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.510 HA :: 4.173 HB2 :: 3.678 HB3 :: 3.256 HD1 :: 7.377 HE1 :: 9.464 HE3 :: 7.577 HZ2 :: 7.706 HZ3 :: 6.877 HH2 :: 7.016 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.943 NE1 :: 128.243 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.25 P 0.05 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 176.076 CA :: 47.600 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.954 HA2 :: 4.122 HA3 :: 3.977 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.789 Ave N Shift Values>> N :: 109.91(4.29) 1.H78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.42 C 0.35 H 0.22 C Shift Assignments>> C :: 177.572 CA :: 61.550 CB :: 30.794 CD2 :: 118.808 CE1 :: 138.076 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.127 HA :: 4.206 HB2 :: 3.359 HB3 :: 3.359 HD2 :: 7.094 HE1 :: 7.563 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.925 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.35 G 0.07 R 0.06 C Shift Assignments>> C :: 181.067 CA :: 58.252 CB :: 43.075 CG :: 26.800 CD1 :: 23.056 CD2 :: 24.659 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.726 HA :: 4.227 HB2 :: 1.785 HB3 :: 1.596 HG :: 1.414 HD11 :: 0.288 HD12 :: 0.288 HD13 :: 0.288 HD21 :: 0.286 HD22 :: 0.286 HD23 :: 0.286 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.009 Ave N Shift Values>> N :: 121.98(4.07) 1.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 C 0.16 L 0.1 D 0.1 K 0.09 I 0.05 N 0.02 R 0.01 C Shift Assignments>> C :: 177.177 CA :: 57.279 CB :: 40.403 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.270 HA :: 4.595 HB2 :: 3.149 HB3 :: 3.089 HD21 :: 7.600 HD22 :: 6.861 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.257 ND2 :: 112.506 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.37 K 0.17 G 0.07 C Shift Assignments>> C :: 177.890 CA :: 59.249 CB :: 31.579 CG :: 28.322 CD :: 43.354 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.085 HA :: 4.167 HB2 :: 1.985 HB3 :: 1.858 HG2 :: 1.708 HG3 :: 1.879 HD2 :: 3.243 HD3 :: 3.243 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.731 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.22 M 0.01 C Shift Assignments>> C :: 177.543 CA :: 56.216 CB :: 32.964 CG :: 24.374 CD :: 28.064 CE :: 42.088 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.691 HA :: 4.441 HB2 :: 1.723 HB3 :: 1.818 HG2 :: 1.128 HG3 :: 1.009 HD2 :: 1.519 HD3 :: 1.519 HE2 :: 2.939 HE3 :: 2.900 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 113.840 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 176.945 CA :: 64.939 CB :: 34.046 CG1 :: 23.008 CG2 :: 21.650 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.786 HA :: 4.235 HB :: 2.420 HG11 :: 0.906 HG12 :: 0.906 HG13 :: 0.906 HG21 :: 1.201 HG22 :: 1.201 HG23 :: 1.201 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.873 Ave N Shift Values>> N :: 121.02(4.96) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 L 0.21 C Shift Assignments>> C :: 179.874 CA :: 58.824 CB :: 38.418 CG :: 27.215 CD1 :: 25.138 CD2 :: 23.084 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.200 HA :: 3.898 HB2 :: 2.367 HB3 :: 1.680 HG :: 1.709 HD11 :: 1.211 HD12 :: 1.211 HD13 :: 1.211 HD21 :: 0.771 HD22 :: 0.771 HD23 :: 0.771 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.163 Ave N Shift Values>> N :: 121.98(4.07) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.39 R 0.14 M 0.01 G 0.01 HN Overlap>> 1.R86 1.S90 1.R86 1.S90 C Shift Assignments>> C :: 180.286 CA :: 59.436 CB :: 33.096 CG :: 24.821 CD :: 29.082 CE :: 42.196 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.303 HA :: 4.191 HB2 :: 2.056 HB3 :: 1.582 HG2 :: 1.489 HG3 :: 1.524 HD2 :: 1.735 HD3 :: 1.789 HE2 :: 3.020 HE3 :: 3.020 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.114 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 G 0.12 K 0.04 L 0.01 HN Overlap>> 1.K85 1.K85 C Shift Assignments>> C :: 177.047 CA :: 57.924 CB :: 29.848 CG :: 27.496 CD :: 43.773 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.216 HA :: 4.191 HB2 :: 2.028 HB3 :: 2.028 HG2 :: 1.759 HG3 :: 1.670 HD2 :: 3.348 HD3 :: 3.259 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.181 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.22 A 0.06 R 0.05 G 0.01 C Shift Assignments>> C :: 175.182 CA :: 53.603 CB :: 42.059 CG :: 26.327 CD1 :: 26.545 CD2 :: 22.975 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.584 HA :: 4.339 HB2 :: 1.865 HB3 :: 1.623 HG :: 1.591 HD11 :: 0.745 HD12 :: 0.745 HD13 :: 0.745 HD21 :: 0.567 HD22 :: 0.567 HD23 :: 0.567 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.282 Ave N Shift Values>> N :: 121.98(4.07) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 N 0.27 E 0.13 Y 0.09 M 0.07 F 0.04 D 0.03 K 0.02 C Shift Assignments>> C :: 173.426 CA :: 54.081 CB :: 36.809 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.932 HA :: 4.384 HB2 :: 3.145 HB3 :: 2.775 HD21 :: 6.860 HD22 :: 7.528 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.016 ND2 :: 111.951 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.3 G 0.1 C Shift Assignments>> C :: 172.386 CA :: 56.231 CB :: 43.188 CD1 :: 131.417 CD2 :: 131.417 CE1 :: 130.866 CE2 :: 130.866 CZ :: 129.798 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.739 HA :: 4.887 HB2 :: 2.822 HB3 :: 2.689 HD1 :: 7.147 HD2 :: 7.147 HE1 :: 7.187 HE2 :: 7.187 HZ :: 7.428 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.795 Ave N Shift Values>> N :: 120.69(4.18) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K85 1.K85 C Shift Assignments>> C :: 172.726 CA :: 56.762 CB :: 64.885 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.301 HA :: 4.667 HB2 :: 3.553 HB3 :: 3.553 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.020 Ave N Shift Values>> N :: 116.3(3.95) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> C :: 173.886 CA :: 59.173 CB :: 33.703 CG1 :: 21.846 CG2 :: 22.245 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.959 HA :: 4.336 HB :: 1.921 HG11 :: 0.779 HG12 :: 0.779 HG13 :: 0.779 HG21 :: 0.967 HG22 :: 0.967 HG23 :: 0.967 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.604 Ave N Shift Values>> N :: 121.02(4.96) 1.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.33 C Shift Assignments>> C :: 177.410 CA :: 62.618 CB :: 33.302 CG :: 27.686 CD :: 51.508 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.481 HB2 :: 1.976 HB3 :: 2.482 HG2 :: 2.029 HG3 :: 2.029 HD2 :: 3.388 HD3 :: 3.959 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.19 C 0.15 K 0.14 L 0.09 I 0.07 D 0.05 R 0.03 C Shift Assignments>> C :: 178.221 CA :: 58.347 CB :: 40.916 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.854 HA :: 4.298 HB2 :: 2.646 HB3 :: 2.646 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.319 Ave N Shift Values>> N :: 120.73(4.2) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.23 C 0.18 D 0.12 L 0.08 I 0.05 N 0.04 K 0.02 E 0.01 C Shift Assignments>> C :: 178.344 CA :: 56.851 CB :: 39.733 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.955 HA :: 4.222 HB2 :: 2.558 HB3 :: 2.658 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.740 Ave N Shift Values>> N :: 120.73(4.2) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.153 CA :: 66.007 CB :: 31.712 CG1 :: 21.078 CG2 :: 22.554 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.935 HA :: 3.378 HB :: 1.877 HG11 :: 0.617 HG12 :: 0.617 HG13 :: 0.617 HG21 :: 0.927 HG22 :: 0.927 HG23 :: 0.927 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.559 Ave N Shift Values>> N :: 121.02(4.96) 1.M96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.41 I 0.02 HN Overlap>> 1.R117 1.R117 C Shift Assignments>> C :: 176.993 CA :: 60.318 CB :: 33.348 CG :: 32.508 CE :: 17.492 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.993 HA :: 3.037 HB2 :: 2.101 HB3 :: 1.674 HG2 :: 1.926 HG3 :: 2.313 HE1 :: 2.213 HE2 :: 2.213 HE3 :: 2.213 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.492 Ave N Shift Values>> N :: 120.1(3.88) 1.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.4 G 0.09 K 0.09 C Shift Assignments>> C :: 177.718 CA :: 60.372 CB :: 29.627 CG :: 28.721 CD :: 43.138 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.668 HA :: 3.772 HB2 :: 1.835 HB3 :: 1.835 HG2 :: 1.646 HG3 :: 1.517 HD2 :: 3.151 HD3 :: 3.231 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.593 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.3 R 0.28 G 0.01 C Shift Assignments>> C :: 178.861 CA :: 59.942 CB :: 33.307 CG :: 26.315 CD :: 29.569 CE :: 42.188 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.279 HA :: 4.035 HB2 :: 1.950 HB3 :: 1.670 HG2 :: 1.692 HG3 :: 1.422 HD2 :: 1.643 HD3 :: 1.491 HE2 :: 2.866 HE3 :: 2.866 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.000 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 181.472 CA :: 65.451 CB :: 38.088 CG1 :: 29.394 CG2 :: 16.628 CD1 :: 14.582 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.298 HA :: 3.473 HB :: 1.303 HG12 :: 0.357 HG13 :: 1.669 HG21 :: 0.988 HG22 :: 0.988 HG23 :: 0.988 HD11 :: 0.197 HD12 :: 0.197 HD13 :: 0.197 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.736 Ave N Shift Values>> N :: 121.6(4.72) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.43 C 0.03 I 0.01 L 0.01 V 0.01 C Shift Assignments>> C :: 177.755 CA :: 54.623 CB :: 19.106 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.473 HA :: 4.481 HB1 :: 1.489 HB2 :: 1.489 HB3 :: 1.489 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.832 Ave N Shift Values>> N :: 123.23(3.7) 1.Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.21 E 0.21 K 0.21 M 0.03 R 0.02 I 0.01 C Shift Assignments>> C :: 175.604 CA :: 55.681 CB :: 28.879 CG :: 34.958 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.665 HA :: 4.378 HB2 :: 2.294 HB3 :: 2.156 HG2 :: 2.625 HG3 :: 2.387 HE21 :: 7.149 HE22 :: 6.817 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 113.891 NE2 :: 110.608 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 L 0.16 C 0.15 I 0.12 R 0.12 Q 0.03 W 0.02 V 0.02 H 0.01 M 0.01 C Shift Assignments>> C :: 174.186 CA :: 58.700 CB :: 24.987 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.300 HA :: 4.030 HB2 :: 3.493 HB3 :: 2.831 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 114.274 Ave N Shift Values>> N :: 119.95(4.79) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 175.904 CA :: 50.841 CB :: 18.353 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.175 HA :: 4.458 HB1 :: 1.273 HB2 :: 1.273 HB3 :: 1.273 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.512 Ave N Shift Values>> N :: 123.23(3.7) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 178.173 CA :: 64.290 CB :: 32.028 CG :: 27.902 CD :: 50.974 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.315 HB2 :: 2.338 HB3 :: 1.965 HG2 :: 2.160 HG3 :: 2.076 HD2 :: 3.678 HD3 :: 4.097 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 174.928 CA :: 45.935 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.036 HA2 :: 4.044 HA3 :: 3.832 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.466 Ave N Shift Values>> N :: 109.91(4.29) 1.V106 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>> C :: 178.061 CA :: 66.071 CB :: 31.337 CG1 :: 22.771 CG2 :: 23.275 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.964 HA :: 3.842 HB :: 1.800 HG11 :: 0.847 HG12 :: 0.847 HG13 :: 0.847 HG21 :: 0.789 HG22 :: 0.789 HG23 :: 0.789 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.991 Ave N Shift Values>> N :: 121.02(4.96) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.629 CA :: 65.971 CB :: 30.959 CG1 :: 20.114 CG2 :: 22.776 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.039 HA :: 3.743 HB :: 2.240 HG11 :: 0.844 HG12 :: 0.844 HG13 :: 0.844 HG21 :: 1.123 HG22 :: 1.123 HG23 :: 1.123 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.474 Ave N Shift Values>> N :: 121.02(4.96) 1.E108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.75 C 0.21 E 0.02 C Shift Assignments>> C :: 176.878 CA :: 62.429 CB :: 28.863 CG :: 38.584 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 11.107(S) HA :: 3.584 HB2 :: 1.902 HB3 :: 1.597 HG2 :: 2.450 HG3 :: 1.953 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.242 Ave N Shift Values>> N :: 120.68(3.68) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.39 A 0.05 R 0.01 C Shift Assignments>> C :: 178.647 CA :: 56.293 CB :: 40.846 CG :: 26.488 CD1 :: 25.496 CD2 :: 22.002 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.474 HA :: 4.024 HB2 :: 2.096 HB3 :: 1.590 HG :: 1.968 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 HD21 :: 0.754 HD22 :: 0.754 HD23 :: 0.754 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.111 Ave N Shift Values>> N :: 121.98(4.07) 1.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 176.435 CA :: 64.274 CB :: 33.070 CG1 :: 20.899 CG2 :: 23.492 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.557 HA :: 4.206 HB :: 2.325 HG11 :: 1.126 HG12 :: 1.126 HG13 :: 1.126 HG21 :: 1.010 HG22 :: 1.010 HG23 :: 1.010 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.984 Ave N Shift Values>> N :: 121.02(4.96) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 L 0.3 G 0.15 R 0.11 A 0.01 C Shift Assignments>> C :: 177.274 CA :: 58.047 CB :: 43.552 CG :: 26.650 CD1 :: 21.828 CD2 :: 25.530 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.453 HA :: 4.003 HB2 :: 1.845 HB3 :: 1.492 HG :: 1.873 HD11 :: 0.829 HD12 :: 0.829 HD13 :: 0.829 HD21 :: 0.337 HD22 :: 0.337 HD23 :: 0.337 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.461 Ave N Shift Values>> N :: 121.98(4.07) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 176.487 CA :: 67.843 CB :: 36.504 CG1 :: 31.428 CG2 :: 16.395 CD1 :: 13.790 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.850 HA :: 3.636 HB :: 1.837 HG12 :: 1.013 HG13 :: 1.860 HG21 :: 0.819 HG22 :: 0.819 HG23 :: 0.819 HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.835 Ave N Shift Values>> N :: 121.6(4.72) 1.P113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 179.001 CA :: 64.872 CB :: 30.348 CG :: 28.232 CD :: 50.069 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.420 HB2 :: 2.244 HB3 :: 1.744 HG2 :: 2.183 HG3 :: 2.395 HD2 :: 3.267 HD3 :: 3.599 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.42 R 0.1 G 0.01 C Shift Assignments>> C :: 177.486 CA :: 58.337 CB :: 41.840 CG :: 26.576 CD1 :: 22.586 CD2 :: 26.160 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.672 HA :: 3.490 HB2 :: 1.924 HB3 :: 1.354 HG :: 1.440 HD11 :: 0.509 HD12 :: 0.509 HD13 :: 0.509 HD21 :: 0.831 HD22 :: 0.831 HD23 :: 0.831 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.690 Ave N Shift Values>> N :: 121.98(4.07) 1.R115 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.34 R 0.23 K 0.19 L 0.13 G 0.08 C Shift Assignments>> C :: 177.460 CA :: 60.199 CB :: 28.049 CG :: 26.058 CD :: 43.117 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.159 HA :: 3.215 HB2 :: 1.188 HB3 :: 0.125(S) HG2 :: 0.624(S) HG3 :: -0.003(S) HD2 :: 1.360(A) HD3 :: 2.368(S) HE :: 6.663 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.039 NE :: 86.197 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.23 Q 0.22 R 0.11 E 0.06 I 0.02 M 0.01 C Shift Assignments>> C :: 178.648 CA :: 58.838 CB :: 27.871 CG :: 33.508 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 6.825 HA :: 3.830 HB2 :: 2.065 HB3 :: 2.106 HG2 :: 2.293 HG3 :: 2.400 HE21 :: 7.439 HE22 :: 6.780 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.221 NE2 :: 111.885 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.34 K 0.26 L 0.02 HN Overlap>> 1.M96 1.M96 C Shift Assignments>> C :: 179.370 CA :: 57.607 CB :: 30.040 CG :: 26.553 CD :: 41.942 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.028 HA :: 4.117 HB2 :: 1.992 HB3 :: 1.910 HG2 :: 1.434 HG3 :: 1.935 HD2 :: 3.234 HD3 :: 3.405 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.476 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.47 R 0.01 C Shift Assignments>> C :: 178.577 CA :: 58.295 CB :: 40.472 CG :: 26.399 CD1 :: 26.517 CD2 :: 24.361 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.533 HA :: 3.950 HB2 :: 0.546 HB3 :: 1.581 HG :: 1.784 HD11 :: 0.750 HD12 :: 0.750 HD13 :: 0.750 HD21 :: 0.992 HD22 :: 0.992 HD23 :: 0.992 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.407 Ave N Shift Values>> N :: 121.98(4.07) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 I 0.34 E 0.26 K 0.02 C Shift Assignments>> C :: 179.631 CA :: 59.441 CB :: 29.271 CG :: 37.570 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.220 HA :: 4.047 HB2 :: 2.021 HB3 :: 2.021 HG2 :: 2.303 HG3 :: 2.411 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.858 Ave N Shift Values>> N :: 120.68(3.68) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.18 K 0.07 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.823 CA :: 59.223 CB :: 29.562 CG :: 36.269 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.199 HA :: 4.062 HB2 :: 2.226 HB3 :: 2.086 HG2 :: 2.317 HG3 :: 2.409 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.797 Ave N Shift Values>> N :: 120.68(3.68) 1.R121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.16 G 0.02 L 0.02 C Shift Assignments>> C :: 178.426 CA :: 58.065 CB :: 29.478 CG :: 28.098 CD :: 42.628 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.928 HA :: 4.136 HB2 :: 1.968 HB3 :: 1.895 HG2 :: 1.558 HG3 :: 1.471 HD2 :: 2.506 HD3 :: 2.902 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.760 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.21 E 0.2 K 0.18 M 0.06 I 0.03 R 0.02 C Shift Assignments>> C :: 177.291 CA :: 58.489 CB :: 29.611 CG :: 34.436 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.323 HA :: 4.352 HB2 :: 2.367 HB3 :: 2.367 HG2 :: 2.602 HG3 :: 2.453 HE21 :: 7.453 HE22 :: 6.779 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.430 NE2 :: 112.165 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 K 0.1 G 0.09 C Shift Assignments>> C :: 177.214 CA :: 57.695 CB :: 30.671 CG :: 27.820 CD :: 43.585 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.920 HA :: 4.266 HB2 :: 1.961 HB3 :: 1.961 HG2 :: 1.852 HG3 :: 1.722 HD2 :: 3.242 HD3 :: 3.242 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.341 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.1 G 0.08 C Shift Assignments>> C :: 176.540 CA :: 56.814 CB :: 30.672 CG :: 27.362 CD :: 43.529 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.850 HA :: 4.300 HB2 :: 1.876 HB3 :: 1.946 HG2 :: 1.717 HG3 :: 1.796 HD2 :: 3.242 HD3 :: 3.242 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.452 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.35 K 0.16 G 0.05 C Shift Assignments>> C :: 176.133 CA :: 56.514 CB :: 30.694 CG :: 27.593 CD :: 43.209 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.081 HA :: 4.355 HB2 :: 1.885 HB3 :: 1.885 HG2 :: 1.630 HG3 :: 1.538 HD2 :: 3.185 HD3 :: 3.185 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.963 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.18 M 0.03 G 0.01 C Shift Assignments>> C :: 175.649 CA :: 56.430 CB :: 33.017 CG :: 24.766 CD :: 29.107 CE :: 42.211 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.252 HA :: 4.351 HB2 :: 1.801 HB3 :: 1.902 HG2 :: 1.489 HG3 :: 1.515 HD2 :: 1.715 HD3 :: 1.715 HE2 :: 3.024 HE3 :: 3.024 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.811 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.21 E 0.2 M 0.16 K 0.13 I 0.01 R 0.01 C Shift Assignments>> C :: 180.498 CA :: 57.493 CB :: 30.579 CG :: 34.389 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.037 HA :: 4.175 HB2 :: 1.955 HB3 :: 2.128 HG2 :: 2.328 HG3 :: 2.328 HE21 :: 6.846 HE22 :: 7.569 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 126.990 NE2 :: 112.406 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 123 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 120 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 127 #Suspicious: 0 C Shift Results: #Consistent: 557 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 905 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 1 N Shift Results: #Consistent: 124 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G43 HA3 = 2.588(S), Expected = 3.93, Std = 0.4000, ChiSquare = 7.9365e-04 1.N62 HB2 = 1.232(S), Expected = 2.80, Std = 0.3400, ChiSquare = 3.9926e-06 1.N62 HB3 = 1.071(S), Expected = 2.78, Std = 0.3400, ChiSquare = 4.9959e-07 1.E108 H = 11.107(S), Expected = 8.34, Std = 0.6100, ChiSquare = 5.7313e-06 1.R115 HB3 = 0.125(S), Expected = 1.78, Std = 0.2800, ChiSquare = 3.4063e-09 1.R115 HG2 = 0.624(S), Expected = 1.58, Std = 0.2700, ChiSquare = 3.9901e-04 1.R115 HG3 = -0.003(S), Expected = 1.58, Std = 0.2700, ChiSquare = 4.5468e-09 1.R115 HD2 = 1.360(A), Expected = 3.13, Std = 0.2300, ChiSquare = 1.4077e-14 1.R115 HD3 = 2.368(S), Expected = 3.13, Std = 0.2200, ChiSquare = 5.3293e-04