Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.21 D 0.21 L 0.18 F 0.15 Y 0.09 I 0.05 N 0.03 R 0.03 C Shift Assignments>> CA :: 41.383 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.756 HA3 :: 3.756 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 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 :: 172.718 CA :: 56.261 CB :: 61.363 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.401 HB2 :: 3.798 HB3 :: 3.798 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>> R 0.41 L 0.29 K 0.07 D 0.06 F 0.05 G 0.05 Y 0.03 I 0.01 C Shift Assignments>> C :: 171.786 CA :: 43.118 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.310 HA2 :: 3.782 HA3 :: 3.782 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.157 Ave N Shift Values>> N :: 109.91(4.29) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T81 1.T81 C Shift Assignments>> C :: 171.858 CA :: 55.810 CB :: 61.445 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.101 HA :: 4.353 HB2 :: 3.727 HB3 :: 3.727 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 :: 115.207 Ave N Shift Values>> N :: 116.3(3.95) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.8 R 0.14 K 0.03 C Shift Assignments>> C :: 171.719 CA :: 51.280 CB :: 26.575 CG :: 31.012 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 :: 8.294 HA :: 4.537 HB2 :: 1.801 HB3 :: 1.994 HG2 :: 2.273 HG3 :: 2.273 HE21 :: 7.434 HE22 :: 6.755 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 :: 122.426 NE2 :: 112.295 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.54 P 0.45 C Shift Assignments>> C :: 171.109(S) CA :: 60.897 CB :: 29.772 CG :: 25.076 CD :: 48.289 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 :: 4.260 HB2 :: 2.110 HB3 :: 1.631 HG2 :: 1.861 HG3 :: 1.861 HD2 :: 3.537 HD3 :: 3.658 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.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.19 Y 0.05 F 0.04 L 0.02 C Shift Assignments>> C :: 171.364 CA :: 51.762 CB :: 38.666 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 :: 8.309 HA :: 4.417 HB2 :: 2.491 HB3 :: 2.546 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.862 Ave N Shift Values>> N :: 120.73(4.2) 1.H12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.79 W 0.2 HN Overlap>> 1.D63 1.D63 C Shift Assignments>> C :: 173.152 CA :: 54.082 CB :: 28.061 CD2 :: 117.692 CE1 :: 135.924 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 :: 8.049 HA :: 4.463 HB2 :: 2.988 HB3 :: 3.091 HD2 :: 6.941 HE1 :: 7.805 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 :: 119.546 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.41 L 0.29 K 0.07 D 0.06 G 0.05 F 0.05 Y 0.03 I 0.01 C Shift Assignments>> C :: 171.558 CA :: 43.155 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.785 HA3 :: 3.785 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 L 0.42 R 0.04 HN Overlap>> 1.V61 1.V61 C Shift Assignments>> C :: 173.394 CA :: 53.715 CB :: 28.539 CG :: 24.762 CD :: 40.989 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 :: 8.037 HA :: 4.215 HB2 :: 1.624 HB3 :: 1.706 HG2 :: 1.437 HG3 :: 1.496 HD2 :: 3.077 HD3 :: 3.077 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 :: 120.478 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.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 L 0.04 C Shift Assignments>> C :: 174.091 CA :: 51.960 CB :: 39.911 CG :: 24.490 CD1 :: 23.111 CD2 :: 20.627 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 :: 8.047 HA :: 4.718 HB2 :: 1.654 HB3 :: 1.322 HG :: 1.523 HD11 :: 0.735 HD12 :: 0.735 HD13 :: 0.735 HD21 :: 0.573 HD22 :: 0.573 HD23 :: 0.573 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 :: 124.408 Ave N Shift Values>> N :: 121.98(4.07) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 168.976 CA :: 55.219 CB :: 63.204 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.249 HA :: 4.845 HB2 :: 3.958 HB3 :: 3.568 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 :: 120.014 Ave N Shift Values>> N :: 116.3(3.95) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.78 L 0.12 P 0.09 C Shift Assignments>> CA :: 59.724 CB :: 27.807 CG :: 25.831 CD :: 48.447 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 :: 4.830 HB2 :: 1.753 HB3 :: 1.295 HG2 :: 1.888 HG3 :: 1.364 HD2 :: 3.461 HD3 :: 3.600 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.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.78 P 0.2 C Shift Assignments>> C :: 172.740 CA :: 59.418 CB :: 30.020 CG :: 26.429 CD :: 47.989 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.795 HB2 :: 1.673 HB3 :: 2.320 HG2 :: 1.359 HG3 :: 1.581 HD2 :: 3.020 HD3 :: 3.608 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.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.32 E 0.16 M 0.06 R 0.04 C Shift Assignments>> C :: 174.422 CA :: 53.484 CB :: 28.786 CG :: 34.504 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.468 HA :: 3.951 HB2 :: 1.882 HB3 :: 1.882 HG2 :: 2.240 HG3 :: 2.240 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 :: 117.558 Ave N Shift Values>> N :: 120.68(3.68) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 G 0.25 M 0.11 C Shift Assignments>> C :: 174.220 CA :: 48.796 CB :: 16.207 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.487 HA :: 4.354 HB1 :: 0.964 HB2 :: 0.964 HB3 :: 0.964 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.010 Ave N Shift Values>> N :: 123.23(3.7) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.9 P 0.08 C Shift Assignments>> C :: 174.160 CA :: 59.504 CB :: 30.358 CG :: 25.728 CD :: 47.741 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 :: 4.371 HB2 :: 1.629 HB3 :: 2.214 HG2 :: 1.434 HG3 :: 1.760 HD2 :: 3.320 HD3 :: 4.107 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.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.35 L 0.09 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> C :: 173.939 CA :: 51.762 CB :: 40.132 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 :: 7.949 HA :: 4.320 HB2 :: 2.794 HB3 :: 2.545 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.397 Ave N Shift Values>> N :: 120.73(4.2) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 L 0.27 A 0.12 R 0.06 G 0.05 C Shift Assignments>> C :: 173.759 CA :: 51.526 CB :: 29.528 CG :: 23.469 CD :: 41.910 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 :: 7.652 HA :: 4.335 HB2 :: 1.640 HB3 :: 1.707 HG2 :: 1.491 HG3 :: 1.434 HD2 :: 3.237 HD3 :: 3.119 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 :: 118.628 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.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 G 0.22 C Shift Assignments>> C :: 173.860 CA :: 60.255 CB :: 31.525 CG :: 25.571 CD :: 48.517 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 :: 5.166 HB2 :: 1.829 HB3 :: 2.067 HG2 :: 1.593 HG3 :: 1.854 HD2 :: 3.961 HD3 :: 4.008 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.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 S 0.07 A 0.07 C Shift Assignments>> C :: 171.171 CA :: 58.674 CB :: 68.027 CG2 :: 19.869 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 :: 9.143 HA :: 4.407 HB :: 3.996 HG21 :: 1.122 HG22 :: 1.122 HG23 :: 1.122 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 :: 112.818 Ave N Shift Values>> N :: 115.7(5.05) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 I 0.07 M 0.01 C Shift Assignments>> C :: 173.508 CA :: 55.591 CB :: 34.787 CG1 :: 24.863 CG2 :: 16.014 CD1 :: 9.422 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 :: 8.794 HA :: 4.923 HB :: 2.100 HG12 :: 1.419 HG13 :: 1.669 HG21 :: 0.127 HG22 :: 0.127 HG23 :: 0.127 HD11 :: 0.433 HD12 :: 0.433 HD13 :: 0.433 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 :: 125.499 Ave N Shift Values>> N :: 121.6(4.72) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 P 0.02 HN Overlap>> 1.E103 1.E103 C Shift Assignments>> C :: 170.905 CA :: 53.863 CB :: 63.642 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.619 HA :: 4.889 HB2 :: 3.804 HB3 :: 3.830 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 :: 119.776 Ave N Shift Values>> N :: 116.3(3.95) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 170.600 CA :: 63.346 CB :: 67.649 CG2 :: 20.085 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 :: 8.938 HA :: 3.836 HB :: 3.947 HG21 :: 1.158 HG22 :: 1.158 HG23 :: 1.158 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 :: 120.378 Ave N Shift Values>> N :: 115.7(5.05) 1.A29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.73 M 0.25 C Shift Assignments>> C :: 173.652 CA :: 50.545 CB :: 16.191 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.886 HA :: 4.283 HB1 :: 0.187(S) HB2 :: 0.187(S) HB3 :: 0.187(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.557 Ave N Shift Values>> N :: 123.23(3.7) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.098 CA :: 55.802 CB :: 62.352 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.955 HA :: 4.506 HB2 :: 3.884 HB3 :: 3.972 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 :: 114.527 Ave N Shift Values>> N :: 116.3(3.95) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.3 E 0.19 R 0.08 I 0.04 M 0.01 C Shift Assignments>> C :: 174.876 CA :: 57.508 CB :: 27.715 CG :: 34.454 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 :: 8.880 HA :: 4.009 HB2 :: 2.014 HB3 :: 2.014 HG2 :: 2.303 HG3 :: 2.303 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 :: 116.816 Ave N Shift Values>> N :: 120.68(3.68) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 S 0.31 T 0.21 C Shift Assignments>> C :: 169.740 CA :: 57.318 CB :: 67.149 CG2 :: 19.410 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 :: 7.526 HA :: 4.360 HB :: 4.819 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 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 :: 102.283 Ave N Shift Values>> N :: 115.7(5.05) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 171.451 CA :: 54.299 CB :: 65.696 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.313 HA :: 5.273 HB2 :: 3.623 HB3 :: 3.786 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.242 Ave N Shift Values>> N :: 116.3(3.95) 1.V34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.94 I 0.04 V 0.01 C Shift Assignments>> C :: 172.141 CA :: 56.190 CB :: 33.006 CG1 :: 19.663 CG2 :: 15.684 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 :: 7.981 HA :: 4.586 HB :: 1.513 HG11 :: -0.172(S) HG12 :: -0.172(S) HG13 :: -0.172(S) HG21 :: -0.094 HG22 :: -0.094 HG23 :: -0.094 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 :: 111.393 Ave N Shift Values>> N :: 121.02(4.96) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.88 H 0.11 C Shift Assignments>> C :: 172.901 CA :: 54.463 CB :: 36.372 CD1 :: 130.163 CD2 :: 130.163 CE1 :: 115.967 CE2 :: 115.967 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 :: 8.744 HA :: 5.149 HB2 :: 2.608 HB3 :: 2.416 HD1 :: 6.624 HD2 :: 6.624 HE1 :: 6.613 HE2 :: 6.613 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 :: 117.647 Ave N Shift Values>> N :: 120.79(4.69) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 A 0.09 I 0.02 C Shift Assignments>> C :: 172.005 CA :: 58.697 CB :: 31.014 CG1 :: 19.136 CG2 :: 19.580 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 :: 8.892 HA :: 4.290 HB :: 1.900 HG11 :: 0.754 HG12 :: 0.754 HG13 :: 0.754 HG21 :: 0.201 HG22 :: 0.201 HG23 :: 0.201 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 :: 124.524 Ave N Shift Values>> N :: 121.02(4.96) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.72 A 0.23 S 0.03 C Shift Assignments>> C :: 170.503 CA :: 58.454 CB :: 68.908 CG2 :: 18.672 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 :: 8.489 HA :: 5.051 HB :: 3.662 HG21 :: 0.876 HG22 :: 0.876 HG23 :: 0.876 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 :: 120.779 Ave N Shift Values>> N :: 115.7(5.05) 1.W38 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.95 H 0.04 C Shift Assignments>> C :: 170.358(A) CA :: 54.151 CB :: 29.537 CD1 :: 119.936(S) CE3 :: 118.203 CZ2 :: 112.031 CZ3 :: 119.714 CH2 :: 121.130 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 :: 7.673 HA :: 5.207 HB2 :: 2.947 HB3 :: 2.799 HD1 :: 5.863(S) HE1 :: 5.407(A) HE3 :: 6.726 HZ2 :: 6.837 HZ3 :: 6.631 HH2 :: 6.594 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 :: 122.660 NE1 :: 122.580 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) SRO Rule Breaks>> (HE1 > HD1 : 0.9930) (HE1 > HZ3 : 0.9924) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 I 0.44 C Shift Assignments>> C :: 172.229 CA :: 55.122 CB :: 38.414 CG1 :: 24.831 CG2 :: 14.599 CD1 :: 10.600 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 :: 6.910 HA :: 4.556 HB :: 1.724 HG12 :: 1.374 HG13 :: 0.912 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 HD11 :: 0.743 HD12 :: 0.743 HD13 :: 0.743 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 :: 116.924 Ave N Shift Values>> N :: 121.6(4.72) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 G 0.22 C Shift Assignments>> C :: 173.231 CA :: 60.278 CB :: 30.266 CG :: 25.079 CD :: 48.789 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 :: 4.408 HB2 :: 2.327 HB3 :: 2.272 HG2 :: 2.136 HG3 :: 2.241 HD2 :: 3.832 HD3 :: 3.691 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.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 K 0.25 R 0.01 C Shift Assignments>> C :: 173.199 CA :: 52.257 CB :: 27.321 CG :: 25.500 CD :: 40.893 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 :: 8.477 HA :: 4.526 HB2 :: 1.520 HB3 :: 1.944 HG2 :: 1.694 HG3 :: 1.498 HD2 :: 3.153 HD3 :: 3.216 HE :: 7.285 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.634 NE :: 84.476 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.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.3 G 0.13 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 172.712 CA :: 43.615 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.680 HA2 :: 3.726 HA3 :: 3.934 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.616 Ave N Shift Values>> N :: 109.91(4.29) 1.N43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.74 M 0.06 Y 0.04 P 0.03 D 0.03 E 0.03 F 0.02 K 0.01 HN Overlap>> 1.V78 1.V78 C Shift Assignments>> C :: 172.657 CA :: 50.550 CB :: 36.561 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 :: 8.489 HA :: 4.466 HB2 :: 3.994(S) HB3 :: 2.737 HD21 :: 7.326 HD22 :: 6.740 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.320 ND2 :: 110.196 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.3 G 0.13 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 171.556 CA :: 43.598 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.490 HA2 :: 4.148 HA3 :: 3.363 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.085 Ave N Shift Values>> N :: 109.91(4.29) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 K 0.26 D 0.13 R 0.1 F 0.1 Y 0.06 I 0.03 N 0.01 C Shift Assignments>> C :: 170.967 CA :: 42.010 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.302 HA2 :: 3.202 HA3 :: 4.296 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.999 Ave N Shift Values>> N :: 109.91(4.29) 1.F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 169.632 CA :: 52.991 CB :: 39.400 CD1 :: 129.061 CD2 :: 129.061 CE1 :: 129.318 CE2 :: 129.318 CZ :: 127.507 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 :: 7.045 HA :: 4.830 HB2 :: 3.436 HB3 :: 2.408 HD1 :: 7.032 HD2 :: 7.032 HE1 :: 7.177 HE2 :: 7.177 HZ :: 7.137 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.325 Ave N Shift Values>> N :: 120.69(4.18) 1.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.8 P 0.19 C Shift Assignments>> C :: 175.044 CA :: 60.385 CB :: 29.890 CG :: 25.416 CD :: 47.901 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 :: 4.187 HB2 :: 2.204 HB3 :: 1.709 HG2 :: 1.980 HG3 :: 1.917 HD2 :: 3.616 HD3 :: 3.731 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.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.432 CA :: 61.140 CB :: 35.692 CG1 :: 27.544 CG2 :: 15.124 CD1 :: 10.747 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 :: 8.419 HA :: 3.717 HB :: 1.642 HG12 :: 0.843 HG13 :: 1.807 HG21 :: 0.363 HG22 :: 0.363 HG23 :: 0.363 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.170 Ave N Shift Values>> N :: 121.6(4.72) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.21 M 0.2 R 0.18 E 0.01 C Shift Assignments>> C :: 173.284 CA :: 53.928 CB :: 29.291 CG :: 32.237 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 :: 9.418 HA :: 4.227 HB2 :: 1.914 HB3 :: 1.619 HG2 :: 2.199 HG3 :: 2.375 HE21 :: 7.097 HE22 :: 6.672 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 :: 125.544 NE2 :: 110.772 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 169.294 CA :: 55.626 CB :: 62.133 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.271 HA :: 4.625 HB2 :: 3.623 HB3 :: 4.065 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 :: 108.316 Ave N Shift Values>> N :: 116.3(3.95) 1.F51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.77 F 0.19 G 0.02 C Shift Assignments>> C :: 172.120 CA :: 53.906 CB :: 41.236 CE1 :: 127.250 CE2 :: 127.250(S) 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 :: 8.647 HA :: 5.458 HB2 :: 2.621 HB3 :: 2.544 HD1 :: 7.289 HD2 :: 7.289 HE1 :: 7.400 HE2 :: 7.400 HZ :: 7.469 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 :: 113.081 Ave N Shift Values>> N :: 120.69(4.18) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.14 G 0.01 A 0.01 C Shift Assignments>> C :: 171.951 CA :: 52.453 CB :: 32.494 CG :: 24.841 CD :: 41.672 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 :: 8.307 HA :: 4.788 HB2 :: 1.582 HB3 :: 1.388 HG2 :: 1.366 HG3 :: 1.440 HD2 :: 3.001 HD3 :: 2.961 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 :: 115.701 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.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 A 0.03 C Shift Assignments>> C :: 172.121 CA :: 58.728 CB :: 32.109 CG1 :: 19.907 CG2 :: 20.008 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 :: 8.367 HA :: 4.649 HB :: 1.720 HG11 :: 1.008 HG12 :: 1.008 HG13 :: 1.008 HG21 :: 0.456 HG22 :: 0.456 HG23 :: 0.456 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 :: 121.094 Ave N Shift Values>> N :: 121.02(4.96) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.83 Q 0.11 E 0.04 K 0.01 C Shift Assignments>> C :: 172.864 CA :: 51.527 CB :: 32.754 CG :: 33.991 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 :: 8.930 HA :: 5.432 HB2 :: 1.711 HB3 :: 2.065 HG2 :: 1.884 HG3 :: 1.973 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 :: 125.623 Ave N Shift Values>> N :: 120.68(3.68) 1.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 G 0.01 C Shift Assignments>> C :: 170.174 CA :: 52.751 CB :: 40.871 CD1 :: 130.303 CD2 :: 130.303 CE1 :: 115.712 CE2 :: 115.712 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 :: 9.629 HA :: 5.895 HB2 :: 2.494 HB3 :: 2.710 HD1 :: 6.745 HD2 :: 6.745 HE1 :: 6.587 HE2 :: 6.587 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.804 Ave N Shift Values>> N :: 120.79(4.69) 1.K56 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> A 0.94 M 0.02 R 0.01 C Shift Assignments>> C :: 172.596 CA :: 52.136 CB :: 32.740 CG :: 21.623 CD :: 26.320 CE :: 39.746 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 :: 8.144 HA :: 4.050 HB2 :: 0.060(S) HB3 :: -0.410(A) HG2 :: 0.197(S) HG3 :: 0.149(S) HD2 :: 0.407(S) HD3 :: 0.204(A) HE2 :: 2.241(S) HE3 :: 2.380 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 :: 118.768 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 A 0.29 M 0.13 R 0.11 L 0.03 C Shift Assignments>> C :: 174.310 CA :: 53.089 CB :: 30.773 CG :: 23.381 CD :: 27.689 CE :: 39.824 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 :: 8.020 HA :: 3.891 HB2 :: 1.324 HB3 :: 1.196 HG2 :: 0.636 HG3 :: 1.062 HD2 :: 1.454 HD3 :: 1.454 HE2 :: 2.811 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.862 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 L 0.01 C Shift Assignments>> C :: 174.492 CA :: 52.999 CB :: 37.693 CG :: 24.813 CD1 :: 22.551 CD2 :: 20.497 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 :: 8.261 HA :: 3.955 HB2 :: 1.332 HB3 :: 1.332 HG :: 1.282 HD11 :: 0.667 HD12 :: 0.667 HD13 :: 0.667 HD21 :: 0.529 HD22 :: 0.529 HD23 :: 0.529 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 :: 124.769 Ave N Shift Values>> N :: 121.98(4.07) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 A 0.36 R 0.1 K 0.08 M 0.03 C Shift Assignments>> C :: 173.225 CA :: 54.250 CB :: 29.567 CG :: 22.857 CD :: 26.740 CE :: 39.737 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 :: 8.183 HA :: 3.921 HB2 :: 1.816 HB3 :: 1.698 HG2 :: 1.184 HG3 :: 1.184 HD2 :: 1.531 HD3 :: 1.531 HE2 :: 2.825 HE3 :: 2.825 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 :: 117.232 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.78 R 0.08 K 0.06 M 0.05 C Shift Assignments>> C :: 174.076 CA :: 53.241 CB :: 31.455 CG :: 22.260 CD :: 26.347 CE :: 39.859 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 :: 4.224 HB2 :: 1.462 HB3 :: 1.648 HG2 :: 1.214 HG3 :: 1.214 HD2 :: 1.531 HD3 :: 1.531 HE2 :: 2.823 HE3 :: 2.823 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.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 V 0.46 A 0.01 HN Overlap>> 1.R14 1.R14 C Shift Assignments>> C :: 173.704 CA :: 60.244 CB :: 29.768 CG1 :: 18.666 CG2 :: 18.382 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 :: 8.015 HA :: 3.920 HB :: 1.916 HG11 :: 0.796 HG12 :: 0.796 HG13 :: 0.796 HG21 :: 0.819 HG22 :: 0.819 HG23 :: 0.819 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 :: 120.485 Ave N Shift Values>> N :: 121.02(4.96) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.19 K 0.17 D 0.1 F 0.07 Y 0.05 I 0.02 G 0.01 N 0.01 C Shift Assignments>> C :: 169.578 CA :: 42.441 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.109 HA2 :: 4.062 HA3 :: 3.730 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.367 Ave N Shift Values>> N :: 109.91(4.29) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 N 0.31 L 0.13 K 0.03 F 0.03 Y 0.02 R 0.01 G 0.01 HN Overlap>> 1.H12 1.H12 C Shift Assignments>> C :: 173.235 CA :: 50.338 CB :: 41.177 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 :: 8.025 HA :: 4.653 HB2 :: 2.354 HB3 :: 2.724 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 :: 119.646 Ave N Shift Values>> N :: 120.73(4.2) 1.W64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.94 H 0.05 C Shift Assignments>> C :: 174.148 CA :: 56.175 CB :: 27.085 CD1 :: 125.753 CE3 :: 117.143 CZ2 :: 112.268 CZ3 :: 119.436 CH2 :: 120.160 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 :: 8.405 HA :: 4.127 HB2 :: 2.739 HB3 :: 2.739 HD1 :: 7.239 HE1 :: 10.091 HE3 :: 6.930 HZ2 :: 7.354 HZ3 :: 6.690 HH2 :: 6.602 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 :: 120.058 NE1 :: 130.420 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 A 0.11 C Shift Assignments>> C :: 173.216 CA :: 57.196 CB :: 38.357 CG1 :: 24.596 CG2 :: 15.094 CD1 :: 10.652 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 :: 9.392 HA :: 4.179 HB :: 1.195 HG12 :: 0.968 HG13 :: 1.337 HG21 :: 0.701 HG22 :: 0.701 HG23 :: 0.701 HD11 :: 0.680 HD12 :: 0.680 HD13 :: 0.680 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.936 Ave N Shift Values>> N :: 121.6(4.72) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 L 0.26 C Shift Assignments>> C :: 173.401 CA :: 54.145 CB :: 39.365 CG :: 24.840 CD1 :: 21.630 CD2 :: 23.144 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 :: 8.458 HA :: 4.137 HB2 :: 1.521 HB3 :: 1.706 HG :: 1.410 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 HD21 :: 0.794 HD22 :: 0.794 HD23 :: 0.794 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 :: 125.776 Ave N Shift Values>> N :: 121.98(4.07) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.11 C Shift Assignments>> C :: 175.011 CA :: 50.585 CB :: 18.178 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.024 HA :: 4.462 HB1 :: 1.270 HB2 :: 1.270 HB3 :: 1.270 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.503 Ave N Shift Values>> N :: 123.23(3.7) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 A 0.06 S 0.04 C Shift Assignments>> C :: 170.383 CA :: 59.151 CB :: 68.583 CG2 :: 19.055 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 :: 7.490 HA :: 4.527 HB :: 4.077 HG21 :: 1.164 HG22 :: 1.164 HG23 :: 1.164 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 :: 109.453 Ave N Shift Values>> N :: 115.7(5.05) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E101 1.E101 C Shift Assignments>> C :: 170.514 CA :: 54.568 CB :: 62.557 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.457 HA :: 4.754 HB2 :: 3.774 HB3 :: 3.902 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 :: 118.730 Ave N Shift Values>> N :: 116.3(3.95) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.43 C Shift Assignments>> C :: 174.548 CA :: 50.620 CB :: 15.224 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.637 HA :: 4.030 HB1 :: 1.324 HB2 :: 1.324 HB3 :: 1.324 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.731 Ave N Shift Values>> N :: 123.23(3.7) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 A 0.06 C Shift Assignments>> C :: 171.914 CA :: 56.930 CB :: 37.690 CG1 :: 25.823 CG2 :: 15.059 CD1 :: 12.949 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 :: 8.386 HA :: 4.373 HB :: 1.923 HG12 :: 1.566 HG13 :: 1.109 HG21 :: 1.385 HG22 :: 1.385 HG23 :: 1.385 HD11 :: 0.753 HD12 :: 0.753 HD13 :: 0.753 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.362 Ave N Shift Values>> N :: 121.6(4.72) 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.53 G 0.42 L 0.02 A 0.01 C Shift Assignments>> CA :: 59.296 CB :: 29.313 CG :: 25.263 CD :: 48.970 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 :: 4.656 HB2 :: 2.489 HB3 :: 1.918 HG2 :: 2.064 HG3 :: 2.064 HD2 :: 3.682 HD3 :: 4.119 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.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.92 P 0.07 C Shift Assignments>> C :: 173.359 CA :: 61.844 CB :: 29.541 CG :: 25.458 CD :: 47.371 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 :: 4.372 HB2 :: 1.583 HB3 :: 1.922 HG2 :: 1.763 HG3 :: 1.933 HD2 :: 3.676 HD3 :: 3.752 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.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.659 CA :: 55.219 CB :: 61.034 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.166 HA :: 4.318 HB2 :: 3.734 HB3 :: 4.000 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 :: 108.247 Ave N Shift Values>> N :: 116.3(3.95) 1.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 L 0.32 R 0.08 C Shift Assignments>> C :: 169.692 CA :: 53.229 CB :: 29.001 CG :: 24.982 CD :: 41.177 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 :: 8.182 HA :: 4.297 HB2 :: 1.800 HB3 :: 1.934 HG2 :: 1.544 HG3 :: 1.605 HD2 :: 3.176 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 :: 126.196 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.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 L 0.02 G 0.01 C Shift Assignments>> C :: 171.246 CA :: 49.844 CB :: 38.345 CG :: 24.617 CD1 :: 23.134 CD2 :: 21.216 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 :: 7.308 HA :: 3.256 HB2 :: 1.370 HB3 :: 0.857 HG :: 1.153 HD11 :: 0.689 HD12 :: 0.689 HD13 :: 0.689 HD21 :: 0.425 HD22 :: 0.425 HD23 :: 0.425 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 :: 119.036 Ave N Shift Values>> N :: 121.98(4.07) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.81 P 0.18 C Shift Assignments>> C :: 172.140 CA :: 53.405 CB :: 63.131 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.482 HA :: 5.125 HB2 :: 3.137 HB3 :: 3.228 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 :: 107.332 Ave N Shift Values>> N :: 116.3(3.95) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 V 0.38 I 0.03 HN Overlap>> 1.N43 1.N43 C Shift Assignments>> C :: 169.973 CA :: 57.459 CB :: 33.884 CG1 :: 19.426 CG2 :: 17.861 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 :: 8.582 HA :: 4.601 HB :: 2.185 HG11 :: 0.990 HG12 :: 0.990 HG13 :: 0.990 HG21 :: 0.989 HG22 :: 0.989 HG23 :: 0.989 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 :: 118.362 Ave N Shift Values>> N :: 121.02(4.96) 1.E79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.36 Q 0.24 K 0.22 M 0.07 R 0.06 E 0.02 C Shift Assignments>> C :: 173.501 CA :: 51.501 CB :: 28.800 CG :: 33.515 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 :: 8.459 HA :: 5.190 HB2 :: 1.884 HB3 :: 1.564 HG2 :: 1.402(S) HG3 :: 1.525(S) 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 :: 125.236 Ave N Shift Values>> N :: 120.68(3.68) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.08 I 0.08 C Shift Assignments>> C :: 172.892 CA :: 56.155 CB :: 34.204 CG1 :: 24.856 CG2 :: 14.979 CD1 :: 8.866 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 :: 8.889 HA :: 4.354 HB :: 1.591 HG12 :: 1.016 HG13 :: 1.295 HG21 :: 0.752 HG22 :: 0.752 HG23 :: 0.752 HD11 :: 0.591 HD12 :: 0.591 HD13 :: 0.591 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 :: 128.664 Ave N Shift Values>> N :: 121.6(4.72) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 T 0.28 S 0.04 HN Overlap>> 1.S8 1.S8 C Shift Assignments>> C :: 172.144 CA :: 57.212 CB :: 68.455 CG2 :: 18.814 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 :: 8.023 HA :: 4.403 HB :: 4.258 HG21 :: 0.928 HG22 :: 0.928 HG23 :: 0.928 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 :: 115.267 Ave N Shift Values>> N :: 115.7(5.05) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.29 G 0.24 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.248 CA :: 43.957 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.752 HA2 :: 3.722 HA3 :: 3.842 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.683 Ave N Shift Values>> N :: 109.91(4.29) 1.L83 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> C :: 173.620 CA :: 52.065 CB :: 39.084 CG :: 24.110 CD1 :: 24.765 CD2 :: 17.773(S) 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 :: 8.109 HA :: 4.018 HB2 :: 1.099 HB3 :: 1.099 HG :: 1.189 HD11 :: 0.298 HD12 :: 0.298 HD13 :: 0.298 HD21 :: -0.229(S) HD22 :: -0.229(S) HD23 :: -0.229(S) 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 :: 118.659 Ave N Shift Values>> N :: 121.98(4.07) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.31 E 0.13 M 0.1 R 0.04 C Shift Assignments>> C :: 173.216 CA :: 53.405 CB :: 29.231 CG :: 34.174 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 :: 8.224 HA :: 4.213 HB2 :: 1.870 HB3 :: 1.870 HG2 :: 2.171 HG3 :: 2.171 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 :: 120.491 Ave N Shift Values>> N :: 120.68(3.68) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 R 0.21 M 0.11 L 0.11 A 0.1 C Shift Assignments>> C :: 175.536 CA :: 55.886 CB :: 30.309 CG :: 23.249 CD :: 27.335 CE :: 39.783 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 :: 8.170 HA :: 3.805 HB2 :: 1.632 HB3 :: 1.632 HG2 :: 1.273 HG3 :: 1.431 HD2 :: 1.586 HD3 :: 1.586 HE2 :: 2.799 HE3 :: 2.799 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 :: 121.685 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.29 K 0.08 D 0.06 F 0.05 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 171.018 CA :: 43.041 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.426 HA2 :: 4.028 HA3 :: 3.534 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.460 Ave N Shift Values>> N :: 109.91(4.29) 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 I 0.05 M 0.05 C Shift Assignments>> C :: 171.822 CA :: 55.802 CB :: 34.871 CG1 :: 25.295 CG2 :: 15.199 CD1 :: 8.244 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 :: 7.427 HA :: 4.148 HB :: 2.073 HG12 :: 1.109 HG13 :: 1.109 HG21 :: 0.306 HG22 :: 0.306 HG23 :: 0.306 HD11 :: 0.540 HD12 :: 0.540 HD13 :: 0.540 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 :: 121.553 Ave N Shift Values>> N :: 121.6(4.72) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.867 CA :: 54.392 CB :: 62.746 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.972 HA :: 5.512 HB2 :: 3.553 HB3 :: 3.451 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 :: 118.360 Ave N Shift Values>> N :: 116.3(3.95) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 Y 0.47 C Shift Assignments>> C :: 173.978 CA :: 54.780 CB :: 43.319 CD1 :: 130.665 CD2 :: 130.665 CE1 :: 116.023 CE2 :: 116.023 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 :: 9.190 HA :: 5.165 HB2 :: 2.531 HB3 :: 2.122 HD1 :: 6.679 HD2 :: 6.679 HE1 :: 6.520 HE2 :: 6.520 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 :: 121.652 Ave N Shift Values>> N :: 120.79(4.69) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 A 0.27 M 0.04 R 0.01 C Shift Assignments>> C :: 171.664 CA :: 53.476 CB :: 36.047 CG :: 23.710 CD :: 27.983 CE :: 39.976 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 :: 8.050 HA :: 4.509 HB2 :: 1.882 HB3 :: 1.429 HG2 :: 1.283 HG3 :: 1.283 HD2 :: 1.619 HD3 :: 1.716 HE2 :: 2.716 HE3 :: 2.775 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.329 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.94 G 0.04 Y 0.01 HN Overlap>> 1.S116 1.S116 C Shift Assignments>> C :: 172.241 CA :: 54.648 CB :: 41.632 CD1 :: 130.407 CD2 :: 130.407 CE1 :: 127.859 CE2 :: 127.859 CZ :: 127.222 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 :: 8.324 HA :: 5.808 HB2 :: 2.648 HB3 :: 2.854 HD1 :: 7.084 HD2 :: 7.084 HE1 :: 6.764 HE2 :: 6.764 HZ :: 6.447 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 :: 114.734 Ave N Shift Values>> N :: 120.69(4.18) 1.R92 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> A 0.76 L 0.14 K 0.07 M 0.01 C Shift Assignments>> C :: 169.588 CA :: 52.787 CB :: 29.807 CG :: 22.469 CD :: 39.551 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.421 HA :: 4.462 HB2 :: 0.905 HB3 :: 1.730 HG2 :: 1.032 HG3 :: 0.596(S) HD2 :: 1.889(S) HD3 :: 0.204(A) HE :: 6.645 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 :: 117.390 NE :: 83.284 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB2 : 0.9950) (HD3 > HB3 : 0.9958) (HD3 > HG2 : 0.9974) (HD3 > HG3 : 0.9982) 1.V93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.77 I 0.17 V 0.04 C Shift Assignments>> C :: 172.017 CA :: 57.494 CB :: 33.707 CG1 :: 17.036 CG2 :: 18.023 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 :: 8.199 HA :: 4.902 HB :: 1.016 HG11 :: -0.232(S) HG12 :: -0.232(S) HG13 :: -0.232(S) HG21 :: 0.109 HG22 :: 0.109 HG23 :: 0.109 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 :: 118.174 Ave N Shift Values>> N :: 121.02(4.96) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.3 G 0.02 C Shift Assignments>> C :: 171.507 CA :: 51.572 CB :: 32.180 CG :: 25.974 CD :: 41.560 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 :: 8.602 HA :: 4.309 HB2 :: 1.118 HB3 :: 1.535 HG2 :: 1.005 HG3 :: 1.108 HD2 :: 2.590 HD3 :: 2.943 HE :: 7.321 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.310 NE :: 84.212 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.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 A 0.34 L 0.02 M 0.01 C Shift Assignments>> C :: 172.766 CA :: 48.117 CB :: 20.929 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.869 HA :: 5.006 HB1 :: 1.327 HB2 :: 1.327 HB3 :: 1.327 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.929 Ave N Shift Values>> N :: 123.23(3.7) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 L 0.37 R 0.06 G 0.01 C Shift Assignments>> C :: 174.663 CA :: 53.299 CB :: 41.783 CG :: 28.193 CD1 :: 24.217 CD2 :: 21.037 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 :: 8.535 HA :: 5.093 HB2 :: 1.507 HB3 :: 1.449 HG :: 1.405 HD11 :: 0.609 HD12 :: 0.609 HD13 :: 0.609 HD21 :: 0.546 HD22 :: 0.546 HD23 :: 0.546 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 :: 122.784 Ave N Shift Values>> N :: 121.98(4.07) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.26 L 0.04 F 0.03 Y 0.02 G 0.02 C Shift Assignments>> C :: 174.165 CA :: 49.457 CB :: 39.675 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 :: 8.670 HA :: 4.513 HB2 :: 3.113 HB3 :: 2.501 HD21 :: 7.798 HD22 :: 7.943 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 :: 120.163 ND2 :: 114.098 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 A 0.18 C Shift Assignments>> C :: 174.136 CA :: 56.120 CB :: 30.133 CG :: 28.457 CE :: 14.337 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 :: 8.570 HA :: 3.864 HB2 :: 1.746 HB3 :: 1.391 HG2 :: 1.968 HG3 :: 1.840 HE1 :: 1.539 HE2 :: 1.539 HE3 :: 1.539 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 :: 115.174 Ave N Shift Values>> N :: 120.1(3.88) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 L 0.02 C Shift Assignments>> C :: 174.802 CA :: 52.626 CB :: 39.180 CG :: 24.725 CD1 :: 23.043 CD2 :: 20.036 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 :: 7.718 HA :: 4.119 HB2 :: 1.286 HB3 :: 1.476 HG :: 1.093 HD11 :: 0.628 HD12 :: 0.628 HD13 :: 0.628 HD21 :: 0.525 HD22 :: 0.525 HD23 :: 0.525 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 :: 117.068 Ave N Shift Values>> N :: 121.98(4.07) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 K 0.2 R 0.15 D 0.11 F 0.08 Y 0.05 I 0.02 N 0.01 G 0.01 C Shift Assignments>> C :: 168.945 CA :: 42.300 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.717 HA2 :: 3.691 HA3 :: 4.387 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.807 Ave N Shift Values>> N :: 109.91(4.29) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.25 M 0.24 E 0.07 R 0.03 P 0.01 HN Overlap>> 1.S69 1.S69 C Shift Assignments>> C :: 173.861 CA :: 52.524 CB :: 29.938 CG :: 33.687 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 :: 8.357 HA :: 4.603 HB2 :: 1.857 HB3 :: 1.711 HG2 :: 2.184 HG3 :: 1.986 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.734 Ave N Shift Values>> N :: 120.68(3.68) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.919 CA :: 55.767 CB :: 64.962 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.059 HA :: 4.163 HB2 :: 3.628 HB3 :: 3.955 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 :: 118.523 Ave N Shift Values>> N :: 116.3(3.95) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 Q 0.33 R 0.15 M 0.04 E 0.03 P 0.01 HN Overlap>> 1.S27 1.S27 C Shift Assignments>> C :: 172.326 CA :: 53.370 CB :: 26.265 CG :: 33.943 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 :: 8.572 HA :: 4.234 HB2 :: 1.680 HB3 :: 2.005 HG2 :: 2.264 HG3 :: 2.332 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 :: 119.690 Ave N Shift Values>> N :: 120.68(3.68) 1.P104 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.87 L 0.11 C Shift Assignments>> C :: 174.388 CA :: 59.892 CB :: 27.748 CG :: 24.205 CD :: 46.802(S) 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 :: 4.219 HB2 :: 1.293 HB3 :: 1.533 HG2 :: 1.738 HG3 :: 1.400 HD2 :: 3.441 HD3 :: 3.524 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.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.357 CA :: 55.838 CB :: 64.829 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.477 HA :: 4.107 HB2 :: 3.464 HB3 :: 3.969 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 :: 114.116 Ave N Shift Values>> N :: 116.3(3.95) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 A 0.27 M 0.17 C Shift Assignments>> C :: 174.074 CA :: 48.752 CB :: 14.746 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.710 HA :: 4.391 HB1 :: 1.311 HB2 :: 1.311 HB3 :: 1.311 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.513 Ave N Shift Values>> N :: 123.23(3.7) 1.P107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.94 P 0.04 C Shift Assignments>> C :: 175.109 CA :: 59.433 CB :: 30.714 CG :: 25.358 CD :: 47.658 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 :: 4.768 HB2 :: 2.265 HB3 :: 2.189 HG2 :: 2.247 HG3 :: 2.083 HD2 :: 3.833 HD3 :: 3.636 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.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.039 CA :: 56.225 CB :: 64.165 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.521 HA :: 4.260 HB2 :: 4.001 HB3 :: 4.498 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 :: 114.374 Ave N Shift Values>> N :: 116.3(3.95) 1.R109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 K 0.22 R 0.01 C Shift Assignments>> C :: 173.249 CA :: 53.511 CB :: 26.429 CG :: 25.164 CD :: 41.258 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 :: 8.559 HA :: 4.528 HB2 :: 1.795 HB3 :: 1.989 HG2 :: 1.798 HG3 :: 1.798 HD2 :: 3.262 HD3 :: 3.262 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 :: 118.996 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.P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.76 P 0.22 C Shift Assignments>> C :: 173.290 CA :: 60.913 CB :: 29.680 CG :: 25.673 CD :: 47.809 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 :: 4.583 HB2 :: 1.770 HB3 :: 1.905 HG2 :: 2.131 HG3 :: 1.851 HD2 :: 3.683 HD3 :: 3.821 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.Y111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 171.604 CA :: 55.238 CB :: 39.941 CD1 :: 130.284 CD2 :: 130.284 CE1 :: 115.996 CE2 :: 115.996 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 :: 9.375 HA :: 4.665 HB2 :: 2.946 HB3 :: 2.946 HD1 :: 6.832 HD2 :: 6.832 HE1 :: 6.520 HE2 :: 6.520 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 :: 125.071 Ave N Shift Values>> N :: 120.79(4.69) 1.V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 A 0.2 V 0.19 C Shift Assignments>> C :: 172.480 CA :: 58.658 CB :: 30.438 CG1 :: 17.955 CG2 :: 18.132 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 :: 7.788 HA :: 4.190 HB :: 1.633 HG11 :: 0.512 HG12 :: 0.512 HG13 :: 0.512 HG21 :: 0.677 HG22 :: 0.677 HG23 :: 0.677 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 :: 128.065 Ave N Shift Values>> N :: 121.02(4.96) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C Shift Assignments>> C :: 174.342 CA :: 60.363 CB :: 28.666 CG1 :: 19.945 CG2 :: 20.804 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 :: 8.120 HA :: 3.813 HB :: 2.521 HG11 :: 0.927 HG12 :: 0.927 HG13 :: 0.927 HG21 :: 1.149 HG22 :: 1.149 HG23 :: 1.149 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 :: 128.415 Ave N Shift Values>> N :: 121.02(4.96) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.700 CA :: 57.071 CB :: 61.572 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.466 HA :: 4.207 HB2 :: 3.829 HB3 :: 3.829 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.480 Ave N Shift Values>> N :: 116.3(3.95) 1.G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.27 K 0.13 D 0.09 F 0.06 Y 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 171.417 CA :: 42.693 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.367 HA2 :: 3.931 HA3 :: 3.931 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.344 Ave N Shift Values>> N :: 109.91(4.29) 1.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F91 1.F91 C Shift Assignments>> C :: 172.107 CA :: 55.767 CB :: 61.775 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.243 HA :: 4.414 HB2 :: 3.744 HB3 :: 3.744 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 :: 114.736 Ave N Shift Values>> N :: 116.3(3.95) 1.G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 K 0.22 R 0.14 D 0.12 F 0.08 Y 0.05 I 0.02 N 0.01 C Shift Assignments>> C :: 169.389 CA :: 42.218 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.293 HA2 :: 3.966 HA3 :: 4.036 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.229 Ave N Shift Values>> N :: 109.91(4.29) 1.P118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.95 P 0.04 C Shift Assignments>> CA :: 61.000 CB :: 29.883 CG :: 25.000 CD :: 47.424 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 :: 4.365 HB2 :: 2.190 HB3 :: 1.888 HG2 :: 1.916 HG3 :: 1.916 HD2 :: 3.455 HD3 :: 3.543 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.S119 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 171.585 CA :: 56.014 CB :: 61.857 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.388 HB2 :: 3.781 HB3 :: 3.781 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.G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.29 G 0.21 D 0.04 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 176.648 CA :: 43.859 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.962 HA2 :: 3.652 HA3 :: 3.701 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.481 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 109 #Clerical: 0 #Suspicious: 8 #Anomalous: 3 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 114 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 119 #Suspicious: 2 C Shift Results: #Consistent: 500 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 1 H Shift Results: #Consistent: 760 #Duplicate: 0 #Unknown: 0 #Suspicious: 23 #Anomalous: 4 N Shift Results: #Consistent: 107 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P10 C = 171.109(S), Expected = 176.70, Std = 1.6900, ChiSquare = 9.3870e-04 1.A29 HB1 = 0.187(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.8241e-06 1.A29 HB2 = 0.187(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.8241e-06 1.A29 HB3 = 0.187(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.8241e-06 1.V34 HG11 = -0.172(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.7815e-04 1.V34 HG12 = -0.172(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.7815e-04 1.V34 HG13 = -0.172(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.7815e-04 1.W38 C = 170.358(A), Expected = 176.10, Std = 1.8900, ChiSquare = 2.3808e-03 1.W38 CD1 = 119.936(S), Expected = 126.16, Std = 1.7600, ChiSquare = 4.0568e-04 1.W38 HD1 = 5.863(S), Expected = 7.16, Std = 0.3400, ChiSquare = 1.3635e-04 1.W38 HE1 = 5.407(A), Expected = 10.13, Std = 0.5300, ChiSquare = 5.0428e-19 1.W38 SRO Rule Break>> HE1 > HD1 : 0.993006993006993 1.W38 SRO Rule Break>> HE1 > HZ3 : 0.992378048780488 1.N43 HB2 = 3.994(S), Expected = 2.80, Std = 0.3400, ChiSquare = 4.4514e-04 1.F51 CE2 = 127.250(S), Expected = 130.60, Std = 0.9700, ChiSquare = 5.5314e-04 1.K56 HB2 = 0.060(S), Expected = 1.79, Std = 0.2500, ChiSquare = 4.5164e-12 1.K56 HB3 = -0.410(A), Expected = 1.78, Std = 0.2600, ChiSquare = 3.6672e-17 1.K56 HG2 = 0.197(S), Expected = 1.38, Std = 0.2700, ChiSquare = 1.1788e-05 1.K56 HG3 = 0.149(S), Expected = 1.37, Std = 0.2900, ChiSquare = 2.5498e-05 1.K56 HD2 = 0.407(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.4943e-06 1.K56 HD3 = 0.204(A), Expected = 1.61, Std = 0.2500, ChiSquare = 1.8659e-08 1.K56 HE2 = 2.241(S), Expected = 2.93, Std = 0.2000, ChiSquare = 5.7106e-04 1.E79 HG2 = 1.402(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.5336e-05 1.E79 HG3 = 1.525(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.8542e-04 1.L83 Typing: Suspicious 1.L83 CD2 = 17.773(S), Expected = 24.10, Std = 1.7800, ChiSquare = 3.7871e-04 1.L83 HD21 = -0.229(S), Expected = 0.76, Std = 0.2800, ChiSquare = 4.1221e-04 1.L83 HD22 = -0.229(S), Expected = 0.76, Std = 0.2800, ChiSquare = 4.1221e-04 1.L83 HD23 = -0.229(S), Expected = 0.76, Std = 0.2800, ChiSquare = 4.1221e-04 1.R92 HG3 = 0.596(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.6797e-04 1.R92 HD2 = 1.889(S), Expected = 3.13, Std = 0.2300, ChiSquare = 6.8275e-08 1.R92 HD3 = 0.204(A), Expected = 3.13, Std = 0.2200, ChiSquare = 2.3147e-40 1.R92 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.R92 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.R92 SRO Rule Break>> HD3 > HG2 : 0.997402597402597 1.R92 SRO Rule Break>> HD3 > HG3 : 0.998244844229925 1.V93 HG11 = -0.232(S), Expected = 0.84, Std = 0.2700, ChiSquare = 7.1761e-05 1.V93 HG12 = -0.232(S), Expected = 0.84, Std = 0.2700, ChiSquare = 7.1761e-05 1.V93 HG13 = -0.232(S), Expected = 0.84, Std = 0.2700, ChiSquare = 7.1761e-05 1.P104 Typing: Mistyped 1.P104 CD = 46.802(S), Expected = 50.28, Std = 1.0400, ChiSquare = 8.2511e-04