Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.81 M 0.14 C 0.02 L 0.01 C Shift Assignments>> CA :: 51.775 CB :: 19.665 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.102 HB1 :: 1.525 HB2 :: 1.525 HB3 :: 1.525 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.4 C 0.38 R 0.17 M 0.03 G 0.01 C Shift Assignments>> C :: 176.086 CA :: 56.354 CB :: 33.325 CG :: 24.707 CD :: 29.251 CE :: 42.183 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 :: 4.329 HB2 :: 1.813 HB3 :: 1.785 HG2 :: 1.465 HG3 :: 1.467 HD2 :: 1.704 HE2 :: 3.011 HE3 :: 3.011 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.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 C Shift Assignments>> C :: 177.307 CA :: 52.316 CB :: 19.421 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.515 HA :: 4.356 HB1 :: 1.417 HB2 :: 1.417 HB3 :: 1.417 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.866 Ave N Shift Values>> N :: 123.23(3.7) 1.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.26 K 0.23 M 0.1 E 0.06 R 0.04 C Shift Assignments>> C :: 173.576 CA :: 53.470 CB :: 29.457 CG :: 33.603 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 :: 8.521 HA :: 4.652 HB2 :: 2.067 HB3 :: 1.920 HG2 :: 2.379 HG3 :: 2.379 HE21 :: 7.572 HE22 :: 6.879 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 :: 122.182 NE2 :: 112.508 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.481 CA :: 63.028 CB :: 32.905 CG :: 27.054 CD :: 50.736 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 :: 4.587 HB2 :: 2.194 HB3 :: 1.725 HG2 :: 1.952 HG3 :: 1.907 HD2 :: 3.751 HD3 :: 3.690 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.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 174.129 CA :: 60.613 CB :: 40.266 CG1 :: 27.605 CG2 :: 17.505 CD1 :: 13.916 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 :: 8.581 HA :: 4.245 HB :: 1.876 HG12 :: 1.539 HG13 :: 1.053 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 HD11 :: 0.721 HD12 :: 0.721 HD13 :: 0.721 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 :: 120.418 Ave N Shift Values>> N :: 121.6(4.72) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.29 M 0.24 Q 0.04 K 0.02 C Shift Assignments>> C :: 175.806 CA :: 54.749 CB :: 31.505 CG :: 36.104 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 :: 5.363 HB2 :: 1.986 HB3 :: 1.812 HG2 :: 2.131 HG3 :: 1.829 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 :: 128.440 Ave N Shift Values>> N :: 120.68(3.68) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.29 C Shift Assignments>> C :: 174.977 CA :: 60.967 CB :: 41.559 CG1 :: 27.368 CG2 :: 17.426 CD1 :: 13.382 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 :: 8.591 HA :: 4.111 HB :: 1.701 HG12 :: 1.508 HG13 :: 0.827 HG21 :: 0.126 HG22 :: 0.126 HG23 :: 0.126 HD11 :: 0.669 HD12 :: 0.669 HD13 :: 0.669 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.957 Ave N Shift Values>> N :: 121.6(4.72) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.25 C 0.01 C Shift Assignments>> C :: 177.026 CA :: 52.646 CB :: 18.121 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.398 HA :: 4.072 HB1 :: 1.454 HB2 :: 1.454 HB3 :: 1.454 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.074 Ave N Shift Values>> N :: 123.23(3.7) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.139 CA :: 45.467 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.958 HA2 :: 4.046 HA3 :: 3.570 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.460 Ave N Shift Values>> N :: 109.91(4.29) 1.H12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 W 0.34 C 0.25 HN Overlap>> 1.I36 1.I36 C Shift Assignments>> C :: 173.060 CA :: 54.628 CB :: 30.432 CD2 :: 120.709 CE1 :: 136.779 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 :: 8.189 HA :: 4.325 HB2 :: 3.145 HB3 :: 2.258 HD2 :: 7.093 HE1 :: 8.450 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 :: 120.216 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.35 M 0.17 K 0.02 I 0.02 Q 0.01 C Shift Assignments>> C :: 175.231 CA :: 55.147 CB :: 31.218 CG :: 36.844 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 :: 8.338 HA :: 4.659 HB2 :: 1.741 HB3 :: 1.741 HG2 :: 2.047 HG3 :: 1.870 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 :: 122.925 Ave N Shift Values>> N :: 120.68(3.68) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.37 C Shift Assignments>> C :: 175.179 CA :: 56.302 CB :: 41.499 CD1 :: 132.423 CD2 :: 132.423 CE1 :: 131.052 CE2 :: 131.052 CZ :: 128.228 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 :: 9.117 HA :: 4.941 HB2 :: 3.143 HB3 :: 2.806 HD1 :: 7.111 HD2 :: 7.114 HE1 :: 7.059 HE2 :: 7.059 HZ :: 5.906 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 :: 123.141 Ave N Shift Values>> N :: 120.69(4.18) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.44 C 0.03 I 0.02 V 0.01 C Shift Assignments>> C :: 177.675 CA :: 54.880 CB :: 18.986 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.393 HA :: 4.130 HB1 :: 1.549 HB2 :: 1.549 HB3 :: 1.549 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.102 Ave N Shift Values>> N :: 123.23(3.7) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.26 G 0.15 K 0.14 HN Overlap>> 1.G62 1.G62 C Shift Assignments>> C :: 177.344 CA :: 53.409 CB :: 33.323 CG :: 26.389 CD :: 43.412 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 :: 7.756 HA :: 4.809 HB2 :: 2.183 HB3 :: 1.859 HG2 :: 1.768 HG3 :: 1.532 HD2 :: 3.283 HD3 :: 3.283 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 :: 110.189 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.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.35 R 0.22 G 0.02 M 0.01 C Shift Assignments>> C :: 178.667 CA :: 60.663 CB :: 32.005 CG :: 25.526 CD :: 29.658 CE :: 42.298 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 :: 9.303 HA :: 3.742 HB2 :: 1.927 HB3 :: 1.838 HG2 :: 1.544 HG3 :: 1.365 HD2 :: 1.757 HD3 :: 1.757 HE2 :: 3.030 HE3 :: 3.030 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 :: 125.242 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.38 C 0.03 I 0.03 V 0.01 C Shift Assignments>> C :: 180.134 CA :: 55.181 CB :: 18.633 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.777 HA :: 4.046 HB1 :: 1.429 HB2 :: 1.429 HB3 :: 1.429 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.670 Ave N Shift Values>> N :: 123.23(3.7) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.16 L 0.15 Y 0.13 C 0.13 D 0.1 R 0.06 I 0.02 N 0.01 C Shift Assignments>> C :: 178.469 CA :: 57.082 CB :: 41.304 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 :: 7.454 HA :: 4.586 HB2 :: 3.180 HB3 :: 3.105 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 :: 117.020 Ave N Shift Values>> N :: 120.73(4.2) 1.A20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.48 M 0.46 C 0.02 I 0.02 C Shift Assignments>> C :: 178.706 CA :: 54.453 CB :: 18.199 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.123 HA :: 2.604(S) HB1 :: 0.914 HB2 :: 0.914 HB3 :: 0.914 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.691 Ave N Shift Values>> N :: 123.23(3.7) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.37 R 0.07 C Shift Assignments>> C :: 179.041 CA :: 58.398 CB :: 41.382 CG :: 27.265 CD1 :: 25.576 CD2 :: 23.980 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 :: 7.871 HA :: 4.008 HB2 :: 1.865 HB3 :: 1.733 HG :: 1.723 HD11 :: 0.951 HD12 :: 0.951 HD13 :: 0.951 HD21 :: 0.983 HD22 :: 0.983 HD23 :: 0.983 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 :: 116.889 Ave N Shift Values>> N :: 121.98(4.07) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.35 I 0.04 C 0.02 C Shift Assignments>> C :: 179.288 CA :: 55.180 CB :: 18.013 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.972 HA :: 4.158 HB1 :: 1.587 HB2 :: 1.587 HB3 :: 1.587 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.219 Ave N Shift Values>> N :: 123.23(3.7) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.26 C Shift Assignments>> C :: 178.515 CA :: 61.520 CB :: 40.296 CD1 :: 131.812 CD2 :: 131.812 CE1 :: 131.373 CE2 :: 131.360 CZ :: 129.370 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 :: 7.546 HA :: 4.081 HB2 :: 3.199 HB3 :: 3.009 HD1 :: 6.772 HD2 :: 6.773 HE1 :: 6.365 HE2 :: 6.362 HZ :: 6.692 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.034 Ave N Shift Values>> N :: 120.69(4.18) 1.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 M 0.08 I 0.04 C Shift Assignments>> C :: 176.037 CA :: 59.901 CB :: 34.008 CG :: 35.487 CE :: 17.732 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 :: 7.595 HA :: 3.768 HB2 :: 2.017 HB3 :: 1.343 HG2 :: 2.841 HG3 :: 2.280 HE1 :: 1.958 HE2 :: 1.958 HE3 :: 1.958 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 :: 118.377 Ave N Shift Values>> N :: 120.1(3.88) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.36 R 0.22 G 0.01 M 0.01 C Shift Assignments>> C :: 178.865 CA :: 59.994 CB :: 32.365 CG :: 25.472 CD :: 29.667 CE :: 42.271 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 :: 8.131 HA :: 3.747 HB2 :: 2.004 HB3 :: 2.022 HG2 :: 1.445 HG3 :: 1.355 HD2 :: 1.761 HD3 :: 1.761 HE2 :: 3.000 HE3 :: 3.000 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 :: 121.901 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 178.654 CA :: 66.337 CB :: 31.302 CG1 :: 21.302 CG2 :: 22.974 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 :: 7.986 HA :: 3.515 HB :: 1.898 HG11 :: 0.777 HG12 :: 0.777 HG13 :: 0.777 HG21 :: 1.004 HG22 :: 1.004 HG23 :: 1.004 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.393 Ave N Shift Values>> N :: 121.02(4.96) 1.M27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.33 I 0.07 C Shift Assignments>> C :: 177.564 CA :: 59.113 CB :: 34.025 CG :: 30.370 CE :: 16.017 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.232 HA :: 3.586 HB2 :: 2.108 HB3 :: 1.914 HG2 :: 2.559 HG3 :: 2.212 HE1 :: 1.721 HE2 :: 1.721 HE3 :: 1.721 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.647 Ave N Shift Values>> N :: 120.1(3.88) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.33 R 0.06 A 0.01 C Shift Assignments>> C :: 178.075 CA :: 57.980 CB :: 41.151 CG :: 26.652 CD1 :: 21.788 CD2 :: 26.113 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 :: 8.201 HA :: 3.733 HB2 :: 1.846 HB3 :: 1.311 HG :: 1.220 HD11 :: -0.097 HD12 :: -0.097 HD13 :: -0.097 HD21 :: 0.719 HD22 :: 0.719 HD23 :: 0.719 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 :: 118.420 Ave N Shift Values>> N :: 121.98(4.07) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 D 0.19 C 0.17 Y 0.12 F 0.1 L 0.05 E 0.01 I 0.01 C Shift Assignments>> C :: 176.087 CA :: 54.286 CB :: 38.984 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 :: 7.579 HA :: 4.512 HB2 :: 2.845 HB3 :: 2.726 HD21 :: 7.503 HD22 :: 6.842 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 :: 112.254 ND2 :: 111.639 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 G 0.12 K 0.08 C Shift Assignments>> C :: 175.926 CA :: 57.482 CB :: 30.404 CG :: 28.370 CD :: 43.834 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 :: 7.621 HA :: 4.169 HB2 :: 1.762 HB3 :: 1.527 HG2 :: 1.567 HG3 :: 1.469 HD2 :: 3.067 HD3 :: 2.966 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 :: 118.878 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.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Y 0.36 G 0.13 C Shift Assignments>> C :: 174.348 CA :: 58.118 CB :: 43.045 CD1 :: 134.338 CD2 :: 134.338 CE1 :: 118.556 CE2 :: 118.556 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.287 HA :: 4.690 HB2 :: 3.249 HB3 :: 2.743 HD1 :: 7.577 HD2 :: 7.577 HE1 :: 6.953 HE2 :: 6.953 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.414 Ave N Shift Values>> N :: 120.79(4.69) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.3 G 0.11 K 0.06 L 0.02 C Shift Assignments>> C :: 173.525 CA :: 52.775 CB :: 30.292 CG :: 26.746 CD :: 43.180 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 :: 9.314 HA :: 4.913 HB2 :: 1.803 HB3 :: 1.674 HG2 :: 1.699 HG3 :: 1.699 HD2 :: 3.291 HD3 :: 3.231 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.876 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.P33 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 :: 177.517 CA :: 64.332 CB :: 31.655 CG :: 28.989 CD :: 50.235 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 :: 3.870 HB2 :: 2.327 HB3 :: 1.901 HG2 :: 2.166 HG3 :: 1.555 HD2 :: 3.925 HD3 :: 3.454 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.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.16 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.605 CA :: 44.745 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.584 HA2 :: 4.422 HA3 :: 3.725 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.669 Ave N Shift Values>> N :: 109.91(4.29) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.17 D 0.15 R 0.15 C 0.1 F 0.07 Y 0.05 N 0.02 C Shift Assignments>> C :: 175.279 CA :: 55.195 CB :: 42.301 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 :: 4.691 HB2 :: 3.080 HB3 :: 2.856 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 :: 122.076 Ave N Shift Values>> N :: 120.73(4.2) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 HN Overlap>> 1.H12 1.H12 C Shift Assignments>> C :: 176.709 CA :: 59.572 CB :: 37.870 CG1 :: 27.916 CG2 :: 17.467 CD1 :: 11.832 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 :: 8.194 HA :: 4.546 HB :: 1.886 HG12 :: 1.631 HG13 :: 1.411 HG21 :: 1.062 HG22 :: 1.062 HG23 :: 1.062 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 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 :: 120.260 Ave N Shift Values>> N :: 121.6(4.72) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 176.530 CA :: 62.969 CB :: 32.201 CG1 :: 21.538 CG2 :: 22.171 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 :: 7.963 HA :: 3.671 HB :: 2.013 HG11 :: 0.848 HG12 :: 0.848 HG13 :: 0.848 HG21 :: 0.617 HG22 :: 0.617 HG23 :: 0.617 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 :: 126.533 Ave N Shift Values>> N :: 121.02(4.96) 1.S38 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 :: 174.950 CA :: 58.147 CB :: 65.224 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.852 HA :: 4.600 HB2 :: 4.532 HB3 :: 4.363 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 :: 122.752 Ave N Shift Values>> N :: 116.3(3.95) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 177.855 CA :: 66.299 CB :: 68.559 CG2 :: 22.270 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 :: 8.870 HA :: 4.153 HB :: 4.271 HG21 :: 1.401 HG22 :: 1.401 HG23 :: 1.401 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 :: 116.391 Ave N Shift Values>> N :: 115.7(5.05) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 178.339 CA :: 65.776 CB :: 32.139 CG1 :: 20.919 CG2 :: 22.224 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 :: 8.018 HA :: 4.028 HB :: 2.057 HG11 :: 1.082 HG12 :: 1.082 HG13 :: 1.082 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 :: 121.035 Ave N Shift Values>> N :: 121.02(4.96) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.25 C 0.18 D 0.08 I 0.07 L 0.06 K 0.02 N 0.02 E 0.01 C Shift Assignments>> C :: 178.746 CA :: 57.492 CB :: 39.740 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 :: 7.610 HA :: 4.570 HB2 :: 3.115 HB3 :: 2.865 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.108 Ave N Shift Values>> N :: 120.73(4.2) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 175.329 CA :: 46.944 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.363 HA2 :: 4.186 HA3 :: 3.584 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.572 Ave N Shift Values>> N :: 109.91(4.29) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 180.375 CA :: 54.897 CB :: 17.895 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.949 HA :: 4.240 HB1 :: 1.617 HB2 :: 1.617 HB3 :: 1.617 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.561 Ave N Shift Values>> N :: 123.23(3.7) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> C :: 177.252 CA :: 61.508 CB :: 38.993 CD1 :: 132.278 CD2 :: 132.278 CE1 :: 130.837 CE2 :: 130.837 CZ :: 129.162 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 :: 7.337 HA :: 3.957 HB2 :: 3.534 HB3 :: 3.366 HD1 :: 6.990 HD2 :: 6.989 HE1 :: 7.138 HE2 :: 7.138 HZ :: 6.950 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 :: 118.542 Ave N Shift Values>> N :: 120.69(4.18) 1.L45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.57 L 0.36 A 0.04 C Shift Assignments>> C :: 178.847 CA :: 57.643 CB :: 41.274 CG :: 25.336 CD1 :: 25.165 CD2 :: 21.047 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 :: 8.301 HA :: 3.741 HB2 :: 0.104(S) HB3 :: 1.023 HG :: 1.374 HD11 :: -0.437(S) HD12 :: -0.437(S) HD13 :: -0.437(S) HD21 :: 0.151 HD22 :: 0.151 HD23 :: 0.151 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 :: 119.345 Ave N Shift Values>> N :: 121.98(4.07) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.077 CA :: 67.081 CB :: 31.639 CG1 :: 21.250 CG2 :: 23.584 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 :: 8.562 HA :: 3.759 HB :: 2.247 HG11 :: 1.045 HG12 :: 1.045 HG13 :: 1.045 HG21 :: 1.203 HG22 :: 1.203 HG23 :: 1.203 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 :: 118.458 Ave N Shift Values>> N :: 121.02(4.96) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.16 K 0.09 Q 0.03 M 0.01 C Shift Assignments>> C :: 179.738 CA :: 58.582 CB :: 29.029 CG :: 36.328 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 :: 6.896 HA :: 4.019 HB2 :: 2.017 HB3 :: 1.964 HG2 :: 2.445 HG3 :: 2.308 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 :: 117.916 Ave N Shift Values>> N :: 120.68(3.68) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.21 I 0.07 C 0.02 C Shift Assignments>> C :: 179.636 CA :: 55.769 CB :: 17.370 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.310 HA :: 3.761 HB1 :: 1.421 HB2 :: 1.421 HB3 :: 1.421 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.600 Ave N Shift Values>> N :: 123.23(3.7) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.41 R 0.09 C Shift Assignments>> C :: 178.188 CA :: 57.387 CB :: 41.780 CG :: 26.531 CD1 :: 22.883 CD2 :: 26.450 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 :: 8.724 HA :: 3.924 HB2 :: 1.319 HB3 :: 1.791 HG :: 1.333 HD11 :: 0.213 HD12 :: 0.213 HD13 :: 0.213 HD21 :: 0.388 HD22 :: 0.388 HD23 :: 0.388 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 :: 119.812 Ave N Shift Values>> N :: 121.98(4.07) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.32 K 0.26 G 0.01 M 0.01 C Shift Assignments>> C :: 177.592 CA :: 59.345 CB :: 32.757 CG :: 26.503 CD :: 30.028 CE :: 42.192 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.421 HA :: 3.856 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 1.825 HG3 :: 1.307 HD2 :: 1.652 HD3 :: 1.652 HE2 :: 2.906 HE3 :: 2.747 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 :: 115.568 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.34 K 0.11 G 0.08 C Shift Assignments>> C :: 176.424 CA :: 55.690 CB :: 30.227 CG :: 27.937 CD :: 43.455 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 :: 7.787 HA :: 4.356 HB2 :: 2.346 HB3 :: 1.950 HG2 :: 1.702 HG3 :: 1.702 HD2 :: 3.161 HD3 :: 3.161 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 :: 115.686 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.H52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 W 0.26 H 0.23 C Shift Assignments>> C :: 175.409 CA :: 56.087 CB :: 32.904 CE1 :: 139.255 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 :: 8.159 HA :: 4.512 HB2 :: 3.259 HB3 :: 3.099 HE1 :: 8.045 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 :: 125.025 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> CA :: 65.210 CB :: 31.791 CG :: 27.453 CD :: 50.868 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 :: 4.341 HB2 :: 2.280 HB3 :: 1.918 HG2 :: 1.871 HG3 :: 1.839 HD2 :: 3.659 HD3 :: 2.565 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.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.31 L 0.2 N 0.12 C 0.11 K 0.09 F 0.05 R 0.04 Y 0.04 C Shift Assignments>> C :: 176.079 CA :: 52.778 CB :: 41.573 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 :: 8.058 HA :: 5.184 HB2 :: 2.995 HB3 :: 2.488 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.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 V 0.13 A 0.09 C 0.09 T 0.09 L 0.06 I 0.03 C Shift Assignments>> C :: 178.550 CA :: 57.024 CB :: 20.320 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.731 HA :: 3.589 HB1 :: 1.660 HB2 :: 1.660 HB3 :: 1.660 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.261 Ave N Shift Values>> N :: 123.23(3.7) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 177.743 CA :: 67.024 CB :: 68.257 CG2 :: 22.010 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 :: 8.405 HA :: 3.804 HB :: 4.104 HG21 :: 1.212 HG22 :: 1.212 HG23 :: 1.212 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 :: 110.600 Ave N Shift Values>> N :: 115.7(5.05) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.547 CA :: 60.395 CB :: 62.766 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.907 HA :: 4.251 HB2 :: 3.864 HB3 :: 3.864 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 :: 117.623 Ave N Shift Values>> N :: 116.3(3.95) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.33 R 0.28 M 0.01 G 0.01 C Shift Assignments>> C :: 178.074 CA :: 58.090 CB :: 32.328 CG :: 24.107 CD :: 27.953 CE :: 42.360 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 :: 8.180 HA :: 3.687 HB2 :: 1.630 HB3 :: 1.266 HG2 :: 1.192 HG3 :: 0.532 HD2 :: 1.362 HD3 :: 1.013 HE2 :: 2.804 HE3 :: 2.750 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 :: 120.772 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 176.705 CA :: 64.224 CB :: 38.989 CG1 :: 30.802 CG2 :: 16.637 CD1 :: 13.387 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 :: 8.407 HA :: 3.336 HB :: 1.678 HG12 :: 1.541 HG13 :: 0.688 HG21 :: 0.734 HG22 :: 0.734 HG23 :: 0.734 HD11 :: 0.714 HD12 :: 0.714 HD13 :: 0.714 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.024 Ave N Shift Values>> N :: 121.6(4.72) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.964 CA :: 44.586 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.360 HA2 :: 3.884 HA3 :: 3.614 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.081 Ave N Shift Values>> N :: 109.91(4.29) 1.P61 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 :: 175.603 CA :: 63.473 CB :: 31.981 CG :: 26.106 CD :: 50.656 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 :: 4.486 HB2 :: 2.216 HB3 :: 1.977 HG2 :: 1.949 HG3 :: 1.918 HD2 :: 3.774 HD3 :: 3.688 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.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 HN Overlap>> 1.R16 1.R16 C Shift Assignments>> C :: 172.596 CA :: 44.498 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.835 HA2 :: 4.378 HA3 :: 3.416 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.214 Ave N Shift Values>> N :: 109.91(4.29) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 175.808 CA :: 63.681 CB :: 32.863 CG1 :: 20.900 CG2 :: 22.073 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.646 HA :: 3.668 HB :: 1.777 HG11 :: 0.119 HG12 :: 0.119 HG13 :: 0.119 HG21 :: 0.692 HG22 :: 0.692 HG23 :: 0.692 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 :: 122.735 Ave N Shift Values>> N :: 121.02(4.96) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.39 G 0.1 K 0.09 C Shift Assignments>> C :: 175.574 CA :: 57.310 CB :: 31.928 CG :: 26.638 CD :: 43.649 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 :: 9.524 HA :: 4.254 HB2 :: 1.560 HB3 :: 1.240 HG2 :: 1.558 HG3 :: 1.558 HD2 :: 3.140 HD3 :: 3.140 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 :: 129.782 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.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.18 G 0.18 C 0.12 D 0.11 K 0.02 F 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 171.753 CA :: 53.279 CB :: 43.717 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 :: 8.089 HA :: 4.662 HB2 :: 2.935 HB3 :: 2.615 HD21 :: 7.416 HD22 :: 7.177 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.163 ND2 :: 112.280 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.36 G 0.01 C Shift Assignments>> C :: 174.834 CA :: 56.578 CB :: 41.888 CD1 :: 131.676 CD2 :: 131.676 CE1 :: 131.676 CE2 :: 131.676 CZ :: 128.405 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 :: 9.064 HA :: 5.738 HB2 :: 2.943 HB3 :: 2.722 HD1 :: 7.123 HD2 :: 7.120 HE1 :: 7.120 HE2 :: 7.120 HZ :: 6.651 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 :: 114.774 Ave N Shift Values>> N :: 120.69(4.18) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 M 0.03 E 0.01 C Shift Assignments>> C :: 174.999 CA :: 54.003 CB :: 35.678 CG :: 36.717 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.328 HA :: 5.307 HB2 :: 1.912 HB3 :: 1.848 HG2 :: 2.144 HG3 :: 2.059 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 :: 122.005 Ave N Shift Values>> N :: 120.68(3.68) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 175.361 CA :: 62.102 CB :: 32.865 CG1 :: 21.487 CG2 :: 22.794 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 :: 8.598 HA :: 4.859 HB :: 1.841 HG11 :: 0.588 HG12 :: 0.588 HG13 :: 0.588 HG21 :: 0.715 HG22 :: 0.715 HG23 :: 0.715 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 :: 124.692 Ave N Shift Values>> N :: 121.02(4.96) 1.R69 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.51 K 0.38 R 0.07 G 0.02 C Shift Assignments>> C :: 175.469 CA :: 54.384 CB :: 34.979 CG :: 27.663 CD :: 42.229 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 :: 8.896 HA :: 4.888 HB2 :: 1.841 HB3 :: 1.501 HG2 :: 1.508 HG3 :: 1.113 HD2 :: 2.357(S) HD3 :: 0.892(A) 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 :: 123.599 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.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.488 CA :: 59.858 CB :: 63.927 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.758 HA :: 4.511 HB2 :: 3.896 HB3 :: 3.856 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 :: 116.239 Ave N Shift Values>> N :: 116.3(3.95) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.11 C 0.04 L 0.02 C Shift Assignments>> C :: 176.054 CA :: 51.016 CB :: 20.324 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.456 HA :: 4.688 HB1 :: 1.351 HB2 :: 1.351 HB3 :: 1.351 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.999 Ave N Shift Values>> N :: 123.23(3.7) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.18 K 0.13 C 0.11 F 0.09 N 0.08 Y 0.08 R 0.03 C Shift Assignments>> C :: 176.444 CA :: 54.732 CB :: 41.060 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 :: 7.968 HA :: 4.361 HB2 :: 2.425 HB3 :: 2.296 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 :: 118.176 Ave N Shift Values>> N :: 120.73(4.2) 1.Y73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Y 0.45 H 0.02 C Shift Assignments>> C :: 176.601 CA :: 58.799 CB :: 36.239 CD1 :: 133.293 CD2 :: 133.293 CE1 :: 118.377 CE2 :: 118.377 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 :: 8.768 HA :: 4.309 HB2 :: 3.194 HB3 :: 3.104 HD1 :: 7.114 HD2 :: 7.114 HE1 :: 6.870 HE2 :: 6.870 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 :: 117.846 Ave N Shift Values>> N :: 120.79(4.69) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 175.060 CA :: 46.117 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.533 HA2 :: 4.069 HA3 :: 3.844 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.255 Ave N Shift Values>> N :: 109.91(4.29) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.779 CA :: 61.115 CB :: 71.585 CG2 :: 21.497 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 :: 7.534 HA :: 4.687 HB :: 4.389 HG21 :: 1.282 HG22 :: 1.282 HG23 :: 1.282 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 :: 111.431 Ave N Shift Values>> N :: 115.7(5.05) 1.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 C 0.29 Q 0.18 K 0.06 E 0.05 C Shift Assignments>> C :: 173.605 CA :: 54.556 CB :: 31.657 CG :: 33.366 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 :: 8.590 HA :: 5.238 HB2 :: 1.998 HB3 :: 1.680 HG2 :: 2.150 HG3 :: 1.936 HE21 :: 5.929 HE22 :: 7.229 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 :: 117.495 NE2 :: 112.198 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 R 0.13 M 0.13 W 0.12 K 0.12 H 0.11 E 0.11 Q 0.07 V 0.02 C Shift Assignments>> C :: 172.371 CA :: 56.886 CB :: 31.492 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.058 HA :: 4.780 HB2 :: 3.104 HB3 :: 2.957 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 :: 114.572 Ave N Shift Values>> N :: 119.95(4.79) 1.F78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.33 G 0.02 C Shift Assignments>> CA :: 58.466 CB :: 42.360 CD1 :: 132.064 CD2 :: 132.064 CE1 :: 131.203 CE2 :: 131.203 CZ :: 130.003 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 :: 8.872 HA :: 5.419 HB2 :: 3.100 HB3 :: 3.020 HD1 :: 7.149 HD2 :: 7.158 HE1 :: 6.799 HE2 :: 6.791 HZ :: 6.862 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 :: 120.396 Ave N Shift Values>> N :: 120.69(4.18) 1.W79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.47 H 0.01 C Shift Assignments>> CA :: 57.535 CB :: 30.788 CD1 :: 124.851 CE3 :: 120.141 CZ2 :: 114.430 CZ3 :: 122.143 CH2 :: 124.836 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 :: 10.003 HA :: 4.907 HB2 :: 2.949 HB3 :: 2.958 HD1 :: 7.130 HE1 :: 10.262 HE3 :: 7.222 HZ2 :: 7.435 HZ3 :: 6.946 HH2 :: 7.231 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 :: 120.993 NE1 :: 130.369 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 174.675 CA :: 61.505 CB :: 40.765 CG1 :: 28.436 CG2 :: 19.289 CD1 :: 15.872 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 :: 9.669 HA :: 3.773 HB :: 1.859 HG12 :: 1.761 HG13 :: 0.752 HG21 :: 0.615 HG22 :: 0.615 HG23 :: 0.615 HD11 :: 0.536 HD12 :: 0.536 HD13 :: 0.536 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 :: 122.205 Ave N Shift Values>> N :: 121.6(4.72) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.32 A 0.02 R 0.01 C Shift Assignments>> C :: 177.301 CA :: 53.483 CB :: 40.344 CG :: 28.032 CD1 :: 24.795 CD2 :: 23.855 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 :: 8.489 HA :: 5.037 HB2 :: 1.670 HB3 :: 1.606 HG :: 1.676 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 HD21 :: 0.822 HD22 :: 0.822 HD23 :: 0.822 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 :: 127.849 Ave N Shift Values>> N :: 121.98(4.07) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.21 K 0.17 G 0.11 C Shift Assignments>> C :: 179.527 CA :: 57.410 CB :: 31.995 CG :: 30.292 CD :: 43.543 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 :: 8.980 HA :: 5.127 HB2 :: 2.204 HB3 :: 1.837 HG2 :: 1.502 HG3 :: 1.370 HD2 :: 3.272 HD3 :: 2.999 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 :: 121.829 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.T83 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 :: 174.540 CA :: 64.441 CB :: 67.987 CG2 :: 22.165 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 :: 8.427 HA :: 3.823 HB :: 4.293 HG21 :: 0.982 HG22 :: 0.982 HG23 :: 0.982 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 :: 111.631 Ave N Shift Values>> N :: 115.7(5.05) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.24 L 0.12 C 0.11 F 0.06 Y 0.05 K 0.04 C Shift Assignments>> C :: 177.092 CA :: 52.983 CB :: 40.502 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 :: 7.431 HA :: 4.706 HB2 :: 3.169 HB3 :: 2.529 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 :: 117.630 Ave N Shift Values>> N :: 120.73(4.2) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.007 CA :: 45.370 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.924 HA2 :: 3.741 HA3 :: 4.364 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.078 Ave N Shift Values>> N :: 109.91(4.29) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.835 CA :: 58.731 CB :: 64.803 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.009 HA :: 4.563 HB2 :: 4.134 HB3 :: 3.982 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 :: 117.029 Ave N Shift Values>> N :: 116.3(3.95) 1.E87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 M 0.3 E 0.07 Q 0.02 C Shift Assignments>> C :: 175.873 CA :: 54.343 CB :: 33.925 CG :: 35.224 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 :: 8.593 HA :: 5.921(S) HB2 :: 2.345 HB3 :: 2.155 HG2 :: 2.406 HG3 :: 2.406 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 :: 116.585 Ave N Shift Values>> N :: 120.68(3.68) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.7 M 0.18 E 0.09 C Shift Assignments>> CA :: 55.840 CB :: 34.310 CG :: 35.895 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>> HA :: 4.496 HB2 :: 2.006 HB3 :: 1.669 HG2 :: 2.282 HG3 :: 2.282 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.R89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.43 C 0.37 G 0.13 K 0.04 L 0.01 C Shift Assignments>> CA :: 56.576 CB :: 30.462 CG :: 26.722 CD :: 43.827 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 :: 8.013 HA :: 3.184 HB2 :: 0.935 HB3 :: 0.560(S) HG2 :: 1.036 HG3 :: 0.923 HD2 :: 3.072 HD3 :: 2.964 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 :: 127.945 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.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.63 C 0.35 C Shift Assignments>> CA :: 55.089 CB :: 40.446 CD1 :: 130.813 CD2 :: 130.772 CE1 :: 131.231 CE2 :: 131.231 CZ :: 128.754 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>> HA :: 5.021 HB2 :: 3.148 HB3 :: 2.854 HD1 :: 6.982 HD2 :: 6.977 HE1 :: 7.127 HE2 :: 7.127 HZ :: 6.862 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) 1.S91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 56.242 CB :: 62.621 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.639 HB2 :: 3.966 HB3 :: 3.965 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.Y92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.53 C 0.46 C Shift Assignments>> C :: 176.450 CA :: 59.575 CB :: 37.283 CD1 :: 133.494 CD2 :: 133.494 CE1 :: 118.168 CE2 :: 118.168 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>> HA :: 4.268 HB2 :: 3.438 HB3 :: 2.367 HD1 :: 7.152 HD2 :: 7.152 HE1 :: 6.865 HE2 :: 6.865 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) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.35 R 0.25 M 0.01 C Shift Assignments>> C :: 177.715 CA :: 58.446 CB :: 31.822 CG :: 25.872 CD :: 29.470 CE :: 42.044 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.405 HA :: 3.749 HB2 :: 1.655 HB3 :: 1.440 HG2 :: 0.987 HG3 :: 0.761 HD2 :: 1.555 HD3 :: 1.478 HE2 :: 2.872 HE3 :: 2.828 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 :: 120.689 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.26 M 0.02 C Shift Assignments>> C :: 176.709 CA :: 56.479 CB :: 32.760 CG :: 25.865 CD :: 29.356 CE :: 42.193 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.405 HA :: 4.079 HB2 :: 1.646 HB3 :: 1.500 HG2 :: 1.505 HG3 :: 1.279 HD2 :: 1.772 HD3 :: 1.652 HE2 :: 2.957 HE3 :: 2.957 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 :: 115.712 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 P 0.25 C 0.11 W 0.06 R 0.05 K 0.02 E 0.02 Q 0.01 H 0.01 V 0.01 C Shift Assignments>> C :: 173.487 CA :: 61.795 CB :: 27.546 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.537 HA :: 3.937 HB2 :: 2.966 HB3 :: 2.912 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 :: 115.586 Ave N Shift Values>> N :: 119.95(4.79) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 175.216 CA :: 61.916 CB :: 31.695 CG1 :: 21.877 CG2 :: 20.455 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>> HA :: 4.154 HB :: 2.212 HG11 :: 0.868 HG12 :: 0.868 HG13 :: 0.868 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 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) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.24 R 0.06 G 0.03 A 0.02 C Shift Assignments>> C :: 176.168 CA :: 54.770 CB :: 42.558 CG :: 26.427 CD1 :: 25.775 CD2 :: 23.243 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 :: 8.002 HA :: 4.316 HB2 :: 1.605 HB3 :: 1.443 HG :: 1.564 HD11 :: 0.834 HD12 :: 0.834 HD13 :: 0.834 HD21 :: 0.777 HD22 :: 0.777 HD23 :: 0.777 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 :: 124.364 Ave N Shift Values>> N :: 121.98(4.07) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.35 M 0.17 K 0.04 Q 0.04 I 0.02 C Shift Assignments>> C :: 175.732 CA :: 55.988 CB :: 30.989 CG :: 36.236 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 :: 8.345 HA :: 4.301 HB2 :: 1.963 HB3 :: 1.853 HG2 :: 2.188 HG3 :: 2.188 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 :: 119.454 Ave N Shift Values>> N :: 120.68(3.68) 1.H99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H101 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H102 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H103 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 99 #Clerical: 0 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 97 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 103 #Suspicious: 1 C Shift Results: #Consistent: 435 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 668 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 1 N Shift Results: #Consistent: 90 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A20 HA = 2.604(S), Expected = 4.26, Std = 0.4200, ChiSquare = 8.0517e-05 1.L45 HB2 = 0.104(S), Expected = 1.63, Std = 0.3400, ChiSquare = 7.1816e-06 1.L45 HD11 = -0.437(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.8084e-06 1.L45 HD12 = -0.437(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.8084e-06 1.L45 HD13 = -0.437(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.8084e-06 1.R69 HD2 = 2.357(S), Expected = 3.13, Std = 0.2300, ChiSquare = 7.7698e-04 1.R69 HD3 = 0.892(A), Expected = 3.13, Std = 0.2200, ChiSquare = 2.6246e-24 1.R69 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.R69 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.R69 SRO Rule Break>> HD3 > HG2 : 0.997402597402597 1.R69 SRO Rule Break>> HD3 > HG3 : 0.998244844229925 1.E87 HA = 5.921(S), Expected = 4.26, Std = 0.4300, ChiSquare = 1.1210e-04 1.R89 HB3 = 0.560(S), Expected = 1.78, Std = 0.2800, ChiSquare = 1.3177e-05