Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.276 CA :: 45.632 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.912 HA2 :: 4.067 HA3 :: 4.067 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.55 C 0.43 C Shift Assignments>> C :: 173.609 CA :: 60.059 CB :: 73.054 CG2 :: 21.984 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.140 HA :: 5.359 HB :: 3.981 HG21 :: 1.058 HG22 :: 1.058 HG23 :: 1.058 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.572 Ave N Shift Values>> N :: 115.7(5.05) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.47 C Shift Assignments>> C :: 174.566 CA :: 61.020 CB :: 35.592 CG1 :: 21.280 CG2 :: 21.789 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 :: 8.782 HA :: 4.458 HB :: 1.731 HG11 :: 0.795 HG12 :: 0.795 HG13 :: 0.795 HG21 :: 0.754 HG22 :: 0.754 HG23 :: 0.754 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 :: 120.124 Ave N Shift Values>> N :: 121.02(4.96) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.19 M 0.03 C Shift Assignments>> C :: 174.554 CA :: 56.259 CB :: 33.950 CG :: 25.192 CD :: 29.632 CE :: 41.803 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 :: 8.033 HA :: 4.570 HB2 :: 1.761 HB3 :: 1.761 HG2 :: 1.396 HG3 :: 1.234 HD2 :: 1.582 HD3 :: 1.630 HE2 :: 2.808 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 :: 126.758 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 174.566 CA :: 60.692 CB :: 34.156 CG1 :: 21.799 CG2 :: 21.820 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 :: 8.642 HA :: 4.837 HB :: 1.783 HG11 :: 0.706 HG12 :: 0.706 HG13 :: 0.706 HG21 :: 0.767 HG22 :: 0.767 HG23 :: 0.767 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 :: 122.734 Ave N Shift Values>> N :: 121.02(4.96) 1.Y13 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 :: 174.458 CA :: 57.772 CB :: 38.685 CD1 :: 133.197 CD2 :: 133.197 CE1 :: 117.786 CE2 :: 117.786 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 :: 9.332 HA :: 4.783 HB2 :: 3.244 HB3 :: 2.934 HD1 :: 7.168 HD2 :: 7.168 HE1 :: 6.737 HE2 :: 6.737 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 :: 128.408 Ave N Shift Values>> N :: 120.79(4.69) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.19 R 0.06 G 0.03 A 0.03 C Shift Assignments>> C :: 174.421 CA :: 53.197 CB :: 42.549 CG :: 27.041 CD1 :: 25.539 CD2 :: 23.540 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 :: 8.510 HA :: 4.796 HB2 :: 1.523 HB3 :: 1.433 HG :: 1.485 HD11 :: 0.623 HD12 :: 0.623 HD13 :: 0.623 HD21 :: 0.696 HD22 :: 0.696 HD23 :: 0.696 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.561 Ave N Shift Values>> N :: 121.98(4.07) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 176.020 CA :: 63.578 CB :: 32.100 CG :: 28.292 CD :: 50.274 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 :: 4.579 HB2 :: 2.527 HB3 :: 1.809 HG2 :: 1.952 HG3 :: 2.017 HD2 :: 3.378 HD3 :: 3.646 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.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 C 0.29 E 0.12 Y 0.1 M 0.06 D 0.04 K 0.02 HN Overlap>> 1.G72 1.G72 C Shift Assignments>> C :: 174.881 CA :: 53.936 CB :: 36.992 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 :: 8.802 HA :: 4.428 HB2 :: 2.946 HB3 :: 2.989 HD21 :: 6.873 HD22 :: 7.566 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 :: 115.447 ND2 :: 112.497 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.33 K 0.24 G 0.02 L 0.01 C Shift Assignments>> C :: 175.996 CA :: 57.543 CB :: 29.262 CG :: 25.356 CD :: 29.303 CE :: 42.461 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 :: 8.767 HA :: 3.944 HB2 :: 2.049 HB3 :: 2.090 HG2 :: 1.407 HG3 :: 1.407 HD2 :: 1.708 HD3 :: 1.708 HE2 :: 3.019 HE3 :: 3.019 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 :: 111.847 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.22 M 0.22 E 0.15 K 0.12 C Shift Assignments>> C :: 174.990 CA :: 54.992 CB :: 30.702 CG :: 34.320 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 :: 6.991 HA :: 4.579 HB2 :: 2.041 HB3 :: 1.858 HG2 :: 2.366 HG3 :: 2.481 HE21 :: 6.984 HE22 :: 7.538 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.679 NE2 :: 112.979 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.27 G 0.15 K 0.1 C Shift Assignments>> C :: 175.111 CA :: 54.992 CB :: 33.580 CG :: 27.001 CD :: 43.695 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 :: 8.626 HA :: 5.278 HB2 :: 1.794 HB3 :: 1.575 HG2 :: 1.428 HG3 :: 1.428 HD2 :: 3.006 HD3 :: 3.052 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 :: 120.467 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.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.21 A 0.01 C Shift Assignments>> C :: 171.319 CA :: 60.199 CB :: 69.846 CG2 :: 18.531 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.921 HA :: 4.686 HB :: 3.945 HG21 :: 0.894 HG22 :: 0.894 HG23 :: 0.894 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.446 Ave N Shift Values>> N :: 115.7(5.05) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 175.669 CA :: 61.097 CB :: 34.566 CG1 :: 21.080 CG2 :: 21.080 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 :: 8.164 HA :: 4.890 HB :: 1.912 HG11 :: 0.879 HG12 :: 0.879 HG13 :: 0.879 HG21 :: 0.879 HG22 :: 0.879 HG23 :: 0.879 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 :: 123.183 Ave N Shift Values>> N :: 121.02(4.96) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.41 C Shift Assignments>> C :: 174.906 CA :: 59.690 CB :: 34.795 CG1 :: 21.531 CG2 :: 19.788 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 :: 8.895 HA :: 4.697 HB :: 2.062 HG11 :: 0.869 HG12 :: 0.869 HG13 :: 0.869 HG21 :: 0.736 HG22 :: 0.736 HG23 :: 0.736 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 :: 122.754 Ave N Shift Values>> N :: 121.02(4.96) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.566 CA :: 62.381 CB :: 69.802 CG2 :: 21.738 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.589 HA :: 4.643 HB :: 4.052 HG21 :: 1.234 HG22 :: 1.234 HG23 :: 1.234 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.074 Ave N Shift Values>> N :: 115.7(5.05) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.32 C Shift Assignments>> C :: 174.397 CA :: 61.748 CB :: 33.266 CG1 :: 22.319 CG2 :: 20.038 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 :: 8.246 HA :: 4.040 HB :: 1.799 HG11 :: 0.786 HG12 :: 0.786 HG13 :: 0.786 HG21 :: 0.723 HG22 :: 0.723 HG23 :: 0.723 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 :: 122.602 Ave N Shift Values>> N :: 121.02(4.96) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.41 R 0.3 K 0.17 G 0.1 C Shift Assignments>> CA :: 54.439 CB :: 33.294 CG :: 27.178 CD :: 43.353 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 :: 7.288 HA :: 4.635 HB2 :: 1.900 HB3 :: 1.689 HG2 :: 1.616 HG3 :: 1.616 HD2 :: 3.226 HD3 :: 3.226 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.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.2 D 0.19 K 0.19 C 0.14 Y 0.14 R 0.04 N 0.04 I 0.01 C Shift Assignments>> C :: 176.893 CA :: 56.118 CB :: 41.063 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 :: 8.620 HA :: 4.364 HB2 :: 2.610 HB3 :: 2.610 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 174.179 CA :: 45.667 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.583 HA2 :: 4.224 HA3 :: 3.761 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.683 Ave N Shift Values>> N :: 109.91(4.29) 1.M28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 M 0.39 A 0.18 C Shift Assignments>> C :: 176.408 CA :: 55.467 CB :: 35.389 CG :: 32.840 CE :: 17.306 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 :: 7.395 HA :: 4.880 HB2 :: 2.100 HB3 :: 2.141 HG2 :: 2.607 HG3 :: 2.607 HE1 :: 2.113 HE2 :: 2.113 HE3 :: 2.113 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 :: 118.222 Ave N Shift Values>> N :: 120.1(3.88) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.8 T 0.19 C Shift Assignments>> C :: 176.893 CA :: 56.611 CB :: 66.721 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.527 HA :: 5.170 HB2 :: 4.434 HB3 :: 4.073 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.080 Ave N Shift Values>> N :: 116.3(3.95) 1.V30 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 :: 177.825 CA :: 68.028 CB :: 31.606 CG1 :: 22.539 CG2 :: 23.465 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 :: 9.007 HA :: 3.579 HB :: 2.369 HG11 :: 0.869 HG12 :: 0.869 HG13 :: 0.869 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 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 :: 123.619 Ave N Shift Values>> N :: 121.02(4.96) 1.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 177.123 CA :: 63.050 CB :: 38.597 CD1 :: 133.100 CD2 :: 133.100 CE1 :: 118.514 CE2 :: 118.514 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 :: 8.964 HA :: 4.172 HB2 :: 3.338 HB3 :: 3.021 HD1 :: 6.671 HD2 :: 6.671 HE1 :: 6.499 HE2 :: 6.499 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.423 Ave N Shift Values>> N :: 120.79(4.69) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 Y 0.18 L 0.17 C 0.17 D 0.11 R 0.05 I 0.04 N 0.01 C Shift Assignments>> C :: 179.316 CA :: 57.314 CB :: 41.146 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 :: 8.252 HA :: 4.355 HB2 :: 2.818 HB3 :: 2.859 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.165 Ave N Shift Values>> N :: 120.73(4.2) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.438 CA :: 61.678 CB :: 63.426 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.367 HA :: 4.303 HB2 :: 3.956 HB3 :: 3.763 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 :: 115.056 Ave N Shift Values>> N :: 116.3(3.95) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.31 R 0.27 G 0.03 K 0.01 C Shift Assignments>> C :: 175.705 CA :: 55.256 CB :: 42.626 CG :: 28.792 CD1 :: 24.540 CD2 :: 25.289 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 :: 7.772 HA :: 4.374 HB2 :: 1.714 HB3 :: 1.792 HG :: 1.786 HD11 :: 0.760 HD12 :: 0.760 HD13 :: 0.760 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 :: 119.422 Ave N Shift Values>> N :: 121.98(4.07) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 C 0.18 K 0.17 L 0.12 Y 0.12 I 0.04 G 0.03 D 0.01 C Shift Assignments>> C :: 176.771 CA :: 59.214 CB :: 42.708 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 :: 7.130 HA :: 3.831 HB2 :: 2.603 HB3 :: 2.482 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.661 Ave N Shift Values>> N :: 120.73(4.2) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.23 G 0.01 M 0.01 C Shift Assignments>> C :: 178.274 CA :: 59.848 CB :: 31.729 CG :: 25.291 CD :: 29.139 CE :: 42.297 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 :: 8.362 HA :: 3.933 HB2 :: 1.847 HB3 :: 1.847 HG2 :: 1.454 HG3 :: 1.566 HD2 :: 1.718 HD3 :: 1.718 HE2 :: 3.019 HE3 :: 3.019 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 :: 117.317 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.44 I 0.02 C 0.02 HN Overlap>> 1.I67 1.I67 C Shift Assignments>> C :: 180.224 CA :: 54.323 CB :: 17.537 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.155 HA :: 3.976 HB1 :: 1.315 HB2 :: 1.315 HB3 :: 1.315 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.704 Ave N Shift Values>> N :: 123.23(3.7) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.45 R 0.01 C Shift Assignments>> C :: 179.437 CA :: 57.631 CB :: 40.246 CG :: 27.041 CD1 :: 23.290 CD2 :: 25.791 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 :: 8.086 HA :: 3.976 HB2 :: 1.755 HB3 :: 1.123 HG :: 1.852 HD11 :: 0.718 HD12 :: 0.718 HD13 :: 0.718 HD21 :: 0.682 HD22 :: 0.682 HD23 :: 0.682 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 :: 115.429 Ave N Shift Values>> N :: 121.98(4.07) 1.K39 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.34 R 0.24 G 0.02 C Shift Assignments>> C :: 181.836(A) CA :: 59.985 CB :: 32.387 CG :: 25.809 CD :: 28.646 CE :: 42.544 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 :: 8.428 HA :: 4.132 HB2 :: 1.837 HB3 :: 1.966 HG2 :: 1.597 HG3 :: 1.499 HD2 :: 1.602 HD3 :: 1.692 HE2 :: 2.987 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 :: 121.440 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> CA :: 64.616 CB :: 31.647 CG1 :: 20.789 CG2 :: 20.998 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 :: 8.182 HA :: 4.095 HB :: 2.266 HG11 :: 1.046 HG12 :: 1.046 HG13 :: 1.046 HG21 :: 1.095 HG22 :: 1.095 HG23 :: 1.095 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 :: 116.697 Ave N Shift Values>> N :: 121.02(4.96) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.33 K 0.19 G 0.06 C Shift Assignments>> C :: 175.936 CA :: 55.358 CB :: 30.578 CG :: 28.810 CD :: 43.201 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 :: 7.059 HA :: 4.427 HB2 :: 2.148 HB3 :: 1.537 HG2 :: 1.659 HG3 :: 1.767 HD2 :: 3.081 HD3 :: 3.150 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 :: 118.880 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.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.12 L 0.05 C Shift Assignments>> C :: 174.070 CA :: 46.318 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.868 HA2 :: 4.009 HA3 :: 3.837 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.335 Ave N Shift Values>> N :: 109.91(4.29) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.35 C 0.14 A 0.06 R 0.02 C Shift Assignments>> C :: 174.736 CA :: 52.986 CB :: 44.682 CG :: 26.791 CD1 :: 25.809 CD2 :: 22.807 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 :: 7.849 HA :: 4.547 HB2 :: 1.234 HB3 :: 1.579 HG :: 1.475 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 HD21 :: 0.797 HD22 :: 0.797 HD23 :: 0.797 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 :: 119.575 Ave N Shift Values>> N :: 121.98(4.07) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.22 L 0.15 C 0.12 K 0.06 Y 0.04 R 0.01 C Shift Assignments>> C :: 174.675 CA :: 52.617 CB :: 40.899 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 :: 7.611 HA :: 4.471 HB2 :: 2.775 HB3 :: 2.859 HD21 :: 6.901 HD22 :: 7.562 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 :: 115.033 ND2 :: 113.895 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.34 K 0.19 Q 0.19 R 0.11 E 0.05 P 0.04 I 0.04 M 0.01 C Shift Assignments>> C :: 176.056 CA :: 59.672 CB :: 27.536 CG :: 33.544 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 :: 9.560 HA :: 3.176 HB2 :: 0.407(S) HB3 :: 1.112 HG2 :: 0.900(S) HG3 :: 1.011(S) HE21 :: 7.260 HE22 :: 5.680 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 :: 122.948 NE2 :: 110.868 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.19 Y 0.16 C 0.16 K 0.15 N 0.05 R 0.02 I 0.02 C Shift Assignments>> C :: 177.462 CA :: 56.048 CB :: 40.735 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 :: 8.095 HA :: 4.469 HB2 :: 2.670 HB3 :: 2.670 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 :: 114.604 Ave N Shift Values>> N :: 120.73(4.2) 1.C47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.15 Q 0.15 K 0.15 C 0.13 R 0.12 I 0.04 M 0.03 L 0.01 V 0.01 C Shift Assignments>> C :: 173.537 CA :: 57.631 CB :: 29.263 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.761 HA :: 4.944 HB2 :: 3.191 HB3 :: 3.331 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 :: 114.180 Ave N Shift Values>> N :: 119.95(4.79) 1.C48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 K 0.18 M 0.15 Q 0.14 W 0.08 V 0.08 R 0.07 E 0.05 C Shift Assignments>> C :: 172.010 CA :: 58.211 CB :: 33.127 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.711 HA :: 5.665 HB2 :: 2.990 HB3 :: 2.990 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 :: 117.177 Ave N Shift Values>> N :: 119.95(4.79) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.44 C Shift Assignments>> C :: 171.792 CA :: 60.287 CB :: 35.471 CG1 :: 20.538 CG2 :: 21.289 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 :: 9.166 HA :: 4.332 HB :: 1.833 HG11 :: 0.697 HG12 :: 0.697 HG13 :: 0.697 HG21 :: 0.695 HG22 :: 0.695 HG23 :: 0.695 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 :: 120.260 Ave N Shift Values>> N :: 121.02(4.96) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 173.367 CA :: 59.443 CB :: 32.963 CG1 :: 21.364 CG2 :: 21.873 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 :: 7.589 HA :: 4.826 HB :: 1.256 HG11 :: 0.228 HG12 :: 0.228 HG13 :: 0.228 HG21 :: -0.044 HG22 :: -0.044 HG23 :: -0.044 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 :: 123.436 Ave N Shift Values>> N :: 121.02(4.96) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.37 G 0.03 C Shift Assignments>> C :: 175.354 CA :: 55.836 CB :: 42.420 CD1 :: 132.870 CD2 :: 132.870 CE1 :: 118.643 CE2 :: 118.643 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 :: 9.402 HA :: 5.180 HB2 :: 2.586 HB3 :: 2.649 HD1 :: 6.689 HD2 :: 6.689 HE1 :: 6.594 HE2 :: 6.594 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 :: 122.493 Ave N Shift Values>> N :: 120.79(4.69) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 G 0.38 R 0.09 K 0.01 C Shift Assignments>> C :: 175.269 CA :: 54.640 CB :: 34.320 CG :: 26.754 CD :: 44.498 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.835 HA :: 4.826 HB2 :: 1.804 HB3 :: 1.665 HG2 :: 1.632 HG3 :: 1.554 HD2 :: 3.097 HD3 :: 2.976 HE :: 8.062 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 :: 118.251 NE :: 84.539 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.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.25 R 0.04 G 0.03 A 0.01 C Shift Assignments>> C :: 176.396 CA :: 54.165 CB :: 42.503 CG :: 27.248 CD1 :: 24.287 CD2 :: 24.040 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 :: 9.198 HA :: 4.761 HB2 :: 1.345 HB3 :: 1.600 HG :: 1.410 HD11 :: 0.708 HD12 :: 0.708 HD13 :: 0.708 HD21 :: 0.656 HD22 :: 0.656 HD23 :: 0.656 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 :: 125.121 Ave N Shift Values>> N :: 121.98(4.07) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.32 C Shift Assignments>> C :: 176.239 CA :: 60.534 CB :: 39.418 CG1 :: 26.791 CG2 :: 17.215 CD1 :: 12.888 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 :: 8.429 HA :: 4.310 HB :: 1.801 HG12 :: 1.000 HG13 :: 1.424 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 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 :: 125.153 Ave N Shift Values>> N :: 121.6(4.72) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.31 R 0.29 M 0.01 G 0.01 C Shift Assignments>> C :: 176.784 CA :: 57.174 CB :: 30.126 CG :: 25.192 CD :: 29.386 CE :: 42.379 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.685 HA :: 3.869 HB2 :: 1.991 HB3 :: 1.826 HG2 :: 1.439 HG3 :: 1.439 HD2 :: 1.697 HD3 :: 1.697 HE2 :: 3.004 HE3 :: 3.004 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 :: 129.542 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.561 CA :: 45.403 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.466 HA2 :: 4.127 HA3 :: 3.486 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.792 Ave N Shift Values>> N :: 109.91(4.29) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.34 K 0.12 G 0.08 C Shift Assignments>> C :: 176.407 CA :: 54.675 CB :: 31.706 CG :: 27.041 CD :: 43.366 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 :: 7.927 HA :: 4.551 HB2 :: 1.791 HB3 :: 1.791 HG2 :: 1.609 HG3 :: 1.609 HD2 :: 3.186 HD3 :: 3.186 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 :: 120.786 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.K58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 K 0.42 R 0.08 M 0.03 C Shift Assignments>> C :: 176.263 CA :: 57.895 CB :: 32.428 CG :: 25.356 CD :: 29.543 CE :: 40.839 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 :: 8.914 HA :: 4.278 HB2 :: 1.407 HB3 :: 1.407 HG2 :: 1.067 HG3 :: 0.800 HD2 :: 1.116 HD3 :: 1.072 HE2 :: 2.053(S) HE3 :: 1.828(S) 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 :: 129.032 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.936 CA :: 62.012 CB :: 71.327 CG2 :: 20.504 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.338 HA :: 4.708 HB :: 4.003 HG21 :: 1.266 HG22 :: 1.266 HG23 :: 1.266 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.673 Ave N Shift Values>> N :: 115.7(5.05) 1.V60 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 :: 175.669 CA :: 64.510 CB :: 31.976 CG1 :: 20.538 CG2 :: 22.642 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 :: 9.157 HA :: 3.761 HB :: 1.927 HG11 :: 0.755 HG12 :: 0.755 HG13 :: 0.755 HG21 :: 0.896 HG22 :: 0.896 HG23 :: 0.896 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 :: 130.852 Ave N Shift Values>> N :: 121.02(4.96) 1.T61 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>> C :: 171.634 CA :: 60.974 CB :: 71.285 CG2 :: 19.764 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.668 HA :: 4.359 HB :: 3.450 HG21 :: 0.944 HG22 :: 0.944 HG23 :: 0.944 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 125.375 Ave N Shift Values>> N :: 115.7(5.05) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.17 C 0.02 C Shift Assignments>> C :: 179.340 CA :: 52.194 CB :: 19.194 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.540 HA :: 4.168 HB1 :: 1.501 HB2 :: 1.501 HB3 :: 1.501 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.978 Ave N Shift Values>> N :: 123.23(3.7) 1.W63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> C :: 176.093 CA :: 60.481 CB :: 30.520 CD1 :: 128.232 CE3 :: 120.091 CZ2 :: 115.576 CZ3 :: 121.634 CH2 :: 123.833 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 :: 8.749 HA :: 4.301 HB2 :: 3.222 HB3 :: 3.508 HD1 :: 7.588 HE1 :: 10.042 HE3 :: 7.529 HZ2 :: 7.300 HZ3 :: 6.830 HH2 :: 6.750 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.101 NE1 :: 129.403 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.31 C 0.14 L 0.1 Y 0.08 K 0.02 C Shift Assignments>> C :: 176.081 CA :: 53.514 CB :: 39.871 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 :: 8.245 HA :: 4.761 HB2 :: 2.912 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 :: 112.221 Ave N Shift Values>> N :: 120.73(4.2) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 173.113 CA :: 63.155 CB :: 70.303 CG2 :: 21.329 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.391 HA :: 4.078 HB :: 3.966 HG21 :: 1.277 HG22 :: 1.277 HG23 :: 1.277 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.489 Ave N Shift Values>> N :: 115.7(5.05) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.24 C 0.02 C Shift Assignments>> C :: 177.716 CA :: 52.863 CB :: 18.900 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.441 HA :: 4.417 HB1 :: 1.403 HB2 :: 1.403 HB3 :: 1.403 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.454 Ave N Shift Values>> N :: 123.23(3.7) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.35 HN Overlap>> 1.A37 1.A37 C Shift Assignments>> C :: 175.948 CA :: 61.115 CB :: 40.548 CG1 :: 29.722 CG2 :: 17.818 CD1 :: 14.802 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 :: 8.232 HA :: 4.229 HB :: 1.392 HG12 :: 1.429 HG13 :: 1.429 HG21 :: 0.958 HG22 :: 0.958 HG23 :: 0.958 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.724 Ave N Shift Values>> N :: 121.6(4.72) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.79 I 0.13 A 0.04 C 0.02 C Shift Assignments>> CA :: 56.893 CB :: 15.793 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.750 HA :: 4.074 HB1 :: 1.405 HB2 :: 1.405 HB3 :: 1.405 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.319 Ave N Shift Values>> N :: 123.23(3.7) 1.P69 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>> CA :: 64.798 CB :: 31.630 CG :: 27.792 CD :: 50.575 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 :: 4.487 HB2 :: 1.724 HB3 :: 2.364 HG2 :: 1.857 HG3 :: 1.961 HD2 :: 3.581 HD3 :: 3.429 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.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.47 C 0.32 A 0.11 K 0.08 C Shift Assignments>> CA :: 53.825 CB :: 40.548 CG :: 26.996 CD1 :: 22.634 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 :: 7.059 HA :: 4.231 HB2 :: 1.535 HB3 :: 1.927 HG :: 1.615 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 HD21 :: 0.804 HD22 :: 0.804 HD23 :: 0.804 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.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.24 L 0.22 D 0.15 C 0.12 R 0.1 Y 0.1 N 0.02 I 0.01 C Shift Assignments>> CA :: 56.226 CB :: 41.717 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 :: 8.785 HA :: 4.026 HB2 :: 2.675 HB3 :: 2.780 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.07 R 0.01 HN Overlap>> 1.N16 1.N16 C Shift Assignments>> CA :: 45.800 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.782 HA2 :: 3.890 HA3 :: 4.307 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.447 Ave N Shift Values>> N :: 109.91(4.29) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.38 M 0.11 I 0.04 K 0.03 HN Overlap>> 1.S85 1.S85 C Shift Assignments>> CA :: 56.166 CB :: 30.793 CG :: 37.046 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 :: 8.316 HA :: 4.554 HB2 :: 2.201 HB3 :: 2.201 HG2 :: 2.148 HG3 :: 2.230 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.977 Ave N Shift Values>> N :: 120.68(3.68) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.58 E 0.21 M 0.18 I 0.01 C Shift Assignments>> C :: 175.317 CA :: 54.816 CB :: 32.544 CG :: 37.280 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 :: 8.532 HA :: 5.318 HB2 :: 2.026 HB3 :: 2.026 HG2 :: 2.408 HG3 :: 2.178 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) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.33 C 0.14 A 0.03 C Shift Assignments>> C :: 175.414 CA :: 52.757 CB :: 44.800 CG :: 26.791 CD1 :: 23.290 CD2 :: 23.290 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 :: 9.000 HA :: 5.267 HB2 :: 1.239 HB3 :: 1.632 HG :: 1.566 HD11 :: 0.720 HD12 :: 0.720 HD13 :: 0.720 HD21 :: 0.773 HD22 :: 0.773 HD23 :: 0.773 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.769 Ave N Shift Values>> N :: 121.98(4.07) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.39 G 0.01 C Shift Assignments>> C :: 174.506 CA :: 60.604 CB :: 41.798 CG1 :: 28.152 CG2 :: 18.284 CD1 :: 14.684 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.155 HA :: 4.804 HB :: 1.560 HG12 :: 1.498 HG13 :: 1.005 HG21 :: 0.899 HG22 :: 0.899 HG23 :: 0.899 HD11 :: 0.715 HD12 :: 0.715 HD13 :: 0.715 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.680 Ave N Shift Values>> N :: 121.6(4.72) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 175.160 CA :: 61.009 CB :: 33.539 CG1 :: 21.491 CG2 :: 22.039 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 :: 8.907 HA :: 4.944 HB :: 2.084 HG11 :: 0.926 HG12 :: 0.926 HG13 :: 0.926 HG21 :: 0.826 HG22 :: 0.826 HG23 :: 0.826 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 :: 126.942 Ave N Shift Values>> N :: 121.02(4.96) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 M 0.17 E 0.08 C Shift Assignments>> C :: 175.414 CA :: 54.129 CB :: 33.950 CG :: 36.705 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 :: 8.966 HA :: 4.858 HB2 :: 2.127 HB3 :: 1.848 HG2 :: 2.268 HG3 :: 2.268 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 :: 125.270 Ave N Shift Values>> N :: 120.68(3.68) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 176.844 CA :: 62.328 CB :: 32.780 CG1 :: 21.738 CG2 :: 21.738 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 :: 8.647 HA :: 4.600 HB :: 2.073 HG11 :: 1.056 HG12 :: 1.056 HG13 :: 1.056 HG21 :: 1.056 HG22 :: 1.056 HG23 :: 1.056 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 :: 121.020 Ave N Shift Values>> N :: 121.02(4.96) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.27 R 0.11 G 0.04 A 0.01 C Shift Assignments>> C :: 177.074 CA :: 55.397 CB :: 42.914 CG :: 27.248 CD1 :: 25.192 CD2 :: 23.540 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 :: 8.646 HA :: 4.388 HB2 :: 1.574 HG :: 1.459 HD11 :: 0.894 HD12 :: 0.894 HD13 :: 0.894 HD21 :: 0.885 HD22 :: 0.885 HD23 :: 0.885 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 :: 128.250 Ave N Shift Values>> N :: 121.98(4.07) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.360 CA :: 58.194 CB :: 64.172 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.393 HA :: 4.557 HB2 :: 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 :: 116.956 Ave N Shift Values>> N :: 116.3(3.95) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.17 R 0.11 C 0.1 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.828 CA :: 44.752 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.254 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.590 Ave N Shift Values>> N :: 109.91(4.29) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.450 CA :: 63.331 CB :: 32.294 CG :: 27.269 CD :: 49.895 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 :: 4.503 HB2 :: 1.988 HB3 :: 2.316 HG2 :: 2.030 HD2 :: 3.654 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.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.736 CA :: 58.440 CB :: 63.884 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.575 HA :: 4.525 HB2 :: 3.888 HB3 :: 3.918 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 :: 116.375 Ave N Shift Values>> N :: 116.3(3.95) 1.S85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.E73 1.E73 C Shift Assignments>> C :: 173.960 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.346 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 :: 117.877 Ave N Shift Values>> N :: 116.3(3.95) 1.G86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 83 #Clerical: 0 #Suspicious: 2 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 77 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 86 #Suspicious: 0 C Shift Results: #Consistent: 337 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 551 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 75 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K39 C = 181.836(A), Expected = 176.46, Std = 2.0500, ChiSquare = 8.7303e-03 1.Q45 HB2 = 0.407(S), Expected = 2.05, Std = 0.2800, ChiSquare = 4.4146e-09 1.Q45 HG2 = 0.900(S), Expected = 2.32, Std = 0.2900, ChiSquare = 9.7533e-07 1.Q45 HG3 = 1.011(S), Expected = 2.32, Std = 0.2900, ChiSquare = 6.3678e-06 1.K58 HE2 = 2.053(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.1599e-05 1.K58 HE3 = 1.828(S), Expected = 2.93, Std = 0.2000, ChiSquare = 3.5883e-08