Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.535 CB :: 64.106 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.523 HB2 :: 3.847 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.23 R 0.2 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.322 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.202 HA2 :: 3.881 HA3 :: 3.740 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.573 Ave N Shift Values>> N :: 109.91(4.29) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.28 C Shift Assignments>> C :: 176.480 CA :: 62.582 CB :: 32.331 CG :: 27.222 CD :: 48.999 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 :: 4.641 HB2 :: 2.346 HB3 :: 1.852 HG2 :: 1.847 HG3 :: 1.799 HD2 :: 3.514 HD3 :: 3.252 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.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.090 CA :: 58.754 CB :: 63.667 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.061 HA :: 4.374 HB2 :: 4.351 HB3 :: 4.052 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 :: 115.137 Ave N Shift Values>> N :: 116.3(3.95) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.05 HN Overlap>> 1.S92 1.S92 C Shift Assignments>> C :: 175.380 CA :: 62.781 CB :: 69.617 CG2 :: 22.166 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 :: 8.359 HA :: 4.027 HB :: 3.998 HG21 :: 1.165 HG22 :: 1.165 HG23 :: 1.165 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 :: 115.079 Ave N Shift Values>> N :: 115.7(5.05) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 175.706 CA :: 61.518 CB :: 33.174 CG1 :: 21.318 CG2 :: 21.416 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.280 HA :: 4.097 HB :: 1.898 HG11 :: 1.206 HG12 :: 1.206 HG13 :: 1.206 HG21 :: 1.187 HG22 :: 1.187 HG23 :: 1.187 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 :: 131.182 Ave N Shift Values>> N :: 121.02(4.96) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.32 C Shift Assignments>> C :: 175.612 CA :: 64.850 CB :: 32.578 CG :: 27.387 CD :: 51.791 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 :: 4.415 HB2 :: 2.357 HB3 :: 2.016 HG2 :: 2.207 HG3 :: 2.018 HD2 :: 4.037 HD3 :: 3.783 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.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 170.969 CA :: 59.973 CB :: 40.776 CG1 :: 29.068 CG2 :: 16.345 CD1 :: 14.513 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 :: 7.251 HA :: 4.439 HB :: 1.899 HG12 :: 1.459 HG13 :: 1.100 HG21 :: 0.644 HG22 :: 0.644 HG23 :: 0.644 HD11 :: 0.998 HD12 :: 0.998 HD13 :: 0.998 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.827 Ave N Shift Values>> N :: 121.6(4.72) 1.M14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 A 0.37 M 0.11 I 0.01 C Shift Assignments>> C :: 173.380 CA :: 55.214 CB :: 38.223 CG :: 32.661 CE :: 18.735 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 :: 6.827 HA :: 4.961 HB2 :: 2.129 HB3 :: 2.075 HG2 :: 2.546 HG3 :: 2.158 HE1 :: 1.528 HE2 :: 1.528 HE3 :: 1.528 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.754 Ave N Shift Values>> N :: 120.1(3.88) 1.H15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 H 0.29 W 0.27 C Shift Assignments>> C :: 173.901 CA :: 55.190 CB :: 33.361 CD2 :: 119.860 CE1 :: 138.130 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 :: 9.417 HA :: 4.958 HB2 :: 2.957 HB3 :: 2.888 HD2 :: 6.838 HE1 :: 7.714 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.539 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 K 0.22 E 0.16 M 0.05 R 0.03 C Shift Assignments>> C :: 175.463 CA :: 55.992 CB :: 29.159 CG :: 34.367 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 :: 9.164 HA :: 4.385 HB2 :: 2.093 HB3 :: 2.093 HG2 :: 2.106 HG3 :: 2.106 HE21 :: 7.022 HE22 :: 6.805 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 :: 123.267 NE2 :: 109.816 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 176.328 CA :: 63.807 CB :: 33.088 CG1 :: 20.720 CG2 :: 21.023 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 :: 8.983 HA :: 3.910 HB :: 1.609 HG11 :: 0.822 HG12 :: 0.822 HG13 :: 0.822 HG21 :: 0.747 HG22 :: 0.747 HG23 :: 0.747 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 :: 128.880 Ave N Shift Values>> N :: 121.02(4.96) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.965 CA :: 57.441 CB :: 64.058 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.740 HA :: 4.589 HB2 :: 3.863 HB3 :: 3.711 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 :: 110.447 Ave N Shift Values>> N :: 116.3(3.95) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.15 A 0.12 M 0.11 K 0.09 R 0.01 C Shift Assignments>> C :: 176.404 CA :: 52.453 CB :: 23.038 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.114 HA :: 5.086 HB1 :: 1.590 HB2 :: 1.590 HB3 :: 1.590 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.116 Ave N Shift Values>> N :: 123.23(3.7) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 175.596 CA :: 60.341 CB :: 71.307 CG2 :: 21.191 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 :: 8.710 HA :: 4.787 HB :: 4.769 HG21 :: 1.126 HG22 :: 1.126 HG23 :: 1.126 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 :: 110.762 Ave N Shift Values>> N :: 115.7(5.05) 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.41 I 0.03 C Shift Assignments>> C :: 174.754 CA :: 59.272 CB :: 34.488 CG :: 32.496 CE :: 16.988 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 :: 8.686 HA :: 4.618 HB2 :: 2.104 HB3 :: 1.980 HG2 :: 2.563 HG3 :: 2.381 HE1 :: 2.120 HE2 :: 2.120 HE3 :: 2.120 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 :: 118.478 Ave N Shift Values>> N :: 120.1(3.88) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.34 K 0.22 G 0.08 C Shift Assignments>> C :: 174.722 CA :: 54.218 CB :: 32.509 CG :: 28.169 CD :: 43.290 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 :: 7.296 HA :: 4.453 HB2 :: 2.132 HB3 :: 1.465 HG2 :: 1.521 HG3 :: 1.420 HD2 :: 3.278 HD3 :: 3.178 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 :: 108.176 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.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 S 0.15 C Shift Assignments>> C :: 171.910 CA :: 57.230 CB :: 68.011 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.387 HA :: 5.353 HB2 :: 3.733 HB3 :: 3.572 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 :: 114.861 Ave N Shift Values>> N :: 116.3(3.95) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 C 0.35 G 0.17 C Shift Assignments>> C :: 174.028 CA :: 61.402 CB :: 43.249 CG1 :: 26.916 CG2 :: 18.021 CD1 :: 13.854 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 :: 8.061 HA :: 4.470 HB :: 1.178 HG12 :: 1.236 HG13 :: 0.766 HG21 :: 0.688 HG22 :: 0.688 HG23 :: 0.688 HD11 :: 0.495 HD12 :: 0.495 HD13 :: 0.495 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 :: 116.152 Ave N Shift Values>> N :: 121.6(4.72) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 173.463 CA :: 62.127 CB :: 68.954 CG2 :: 20.597 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 :: 8.584 HA :: 5.107 HB :: 3.863 HG21 :: 0.905 HG22 :: 0.905 HG23 :: 0.905 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 :: 122.080 Ave N Shift Values>> N :: 115.7(5.05) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 C 0.37 L 0.14 A 0.11 C Shift Assignments>> C :: 175.180 CA :: 53.181 CB :: 46.902 CG :: 27.116 CD1 :: 26.810 CD2 :: 23.038 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.093 HA :: 5.427 HB2 :: 1.678 HB3 :: 1.481 HG :: 1.251 HD11 :: 0.466 HD12 :: 0.466 HD13 :: 0.466 HD21 :: -0.027 HD22 :: -0.027 HD23 :: -0.027 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.231 Ave N Shift Values>> N :: 121.98(4.07) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 172.413 CA :: 56.912 CB :: 66.220 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.260 HA :: 4.757 HB2 :: 3.611 HB3 :: 3.335 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 :: 115.325 Ave N Shift Values>> N :: 116.3(3.95) 1.W28 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.56 C 0.38 H 0.04 C Shift Assignments>> C :: 171.555 CA :: 55.143 CB :: 28.918 CD1 :: 127.809 CE3 :: 120.031 CZ2 :: 114.367 CZ3 :: 120.540 CH2 :: 123.572 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 :: 7.430 HA :: 5.212 HB2 :: 3.542 HB3 :: 3.335 HD1 :: 6.958 HE1 :: 6.142(A) HE3 :: 6.791 HZ2 :: 6.663 HZ3 :: 6.446 HH2 :: 6.646 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 :: 119.703 NE1 :: 124.525 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.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 175.962 CA :: 61.702 CB :: 32.041 CG :: 27.552 CD :: 50.460 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 :: 4.543 HB2 :: 2.302 HB3 :: 1.983 HG2 :: 2.099 HG3 :: 2.099 HD2 :: 4.140 HD3 :: 3.591 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.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.25 K 0.25 E 0.09 R 0.05 M 0.04 C Shift Assignments>> C :: 174.856 CA :: 54.524 CB :: 28.623 CG :: 34.006 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 :: 8.248 HA :: 4.654 HB2 :: 2.025 HB3 :: 1.975 HG2 :: 2.481 HG3 :: 2.437 HE21 :: 7.611 HE22 :: 6.993 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 :: 117.321 NE2 :: 112.041 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 175.787 CA :: 63.364 CB :: 32.503 CG :: 28.204 CD :: 50.789 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 :: 4.116 HB2 :: 2.476 HB3 :: 1.473 HG2 :: 1.988 HG3 :: 1.910 HD2 :: 4.198 HD3 :: 3.791 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.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.15 M 0.05 K 0.04 Q 0.01 C Shift Assignments>> C :: 176.748 CA :: 58.644 CB :: 30.271 CG :: 36.771 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 :: 8.367 HA :: 4.004 HB2 :: 2.057 HB3 :: 1.995 HG2 :: 2.403 HG3 :: 2.315 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 :: 122.959 Ave N Shift Values>> N :: 120.68(3.68) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.26 K 0.23 M 0.08 R 0.06 E 0.03 P 0.02 C Shift Assignments>> C :: 172.938 CA :: 52.544 CB :: 29.077 CG :: 33.447 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 :: 8.220 HA :: 4.820 HB2 :: 2.019 HB3 :: 1.936 HG2 :: 2.317 HG3 :: 2.260 HE21 :: 7.589 HE22 :: 6.849 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 :: 116.413 NE2 :: 112.239 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 175.293 CA :: 64.248 CB :: 31.974 CG :: 27.319 CD :: 50.334 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 :: 4.039 HB2 :: 2.291 HB3 :: 2.014 HG2 :: 2.184 HG3 :: 2.015 HD2 :: 3.767 HD3 :: 3.505 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.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 C 0.26 E 0.09 Y 0.09 D 0.05 F 0.05 M 0.04 K 0.01 C Shift Assignments>> C :: 173.982 CA :: 53.655 CB :: 37.151 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 :: 8.478 HA :: 4.270 HB2 :: 2.820 HB3 :: 2.456 HD21 :: 7.354 HD22 :: 6.903 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 :: 111.907 ND2 :: 114.521 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 R 0.25 L 0.25 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 172.062 CA :: 44.147 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.537 HA2 :: 4.247 HA3 :: 3.749 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.149 Ave N Shift Values>> N :: 109.91(4.29) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 176.534 CA :: 60.331 CB :: 38.929 CG1 :: 27.579 CG2 :: 17.110 CD1 :: 12.390 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 :: 8.107 HA :: 4.017 HB :: 1.676 HG12 :: 1.518 HG13 :: 1.177 HG21 :: 0.804 HG22 :: 0.804 HG23 :: 0.804 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 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 :: 120.104 Ave N Shift Values>> N :: 121.6(4.72) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.28 C Shift Assignments>> C :: 176.027 CA :: 61.811 CB :: 37.028 CG1 :: 28.353 CG2 :: 17.252 CD1 :: 13.049 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 :: 8.678 HA :: 3.695 HB :: 1.779 HG12 :: 1.595 HG13 :: 0.923 HG21 :: 0.394 HG22 :: 0.394 HG23 :: 0.394 HD11 :: 0.812 HD12 :: 0.812 HD13 :: 0.812 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 :: 127.591 Ave N Shift Values>> N :: 121.6(4.72) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.31 R 0.12 A 0.04 G 0.03 C Shift Assignments>> C :: 176.826 CA :: 56.416 CB :: 42.664 CG :: 27.026 CD1 :: 25.453 CD2 :: 21.866 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.054 HA :: 4.188 HB2 :: 1.313 HB3 :: 1.313 HG :: 1.601 HD11 :: 0.618 HD12 :: 0.618 HD13 :: 0.618 HD21 :: 0.749 HD22 :: 0.749 HD23 :: 0.749 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 :: 130.577 Ave N Shift Values>> N :: 121.98(4.07) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.23 C 0.11 K 0.1 N 0.08 R 0.07 F 0.04 Y 0.03 C Shift Assignments>> C :: 171.781 CA :: 52.884 CB :: 41.985 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 :: 7.502 HA :: 4.392 HB2 :: 3.334 HB3 :: 2.807 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 112.731 Ave N Shift Values>> N :: 120.73(4.2) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.46 G 0.02 C Shift Assignments>> C :: 175.555 CA :: 56.574 CB :: 42.213 CE1 :: 117.368 CE2 :: 117.368 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 :: 8.974 HA :: 5.379 HB2 :: 2.948 HB3 :: 2.739 HD1 :: 6.957 HD2 :: 6.957 HE1 :: 6.706 HE2 :: 6.706 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 :: 111.324 Ave N Shift Values>> N :: 120.79(4.69) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 M 0.13 E 0.12 C Shift Assignments>> C :: 174.368 CA :: 55.126 CB :: 33.471 CG :: 37.480 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 :: 9.184 HA :: 5.066 HB2 :: 2.035 HB3 :: 1.873 HG2 :: 2.347 HG3 :: 2.169 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 :: 120.875 Ave N Shift Values>> N :: 120.68(3.68) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 I 0.33 C Shift Assignments>> C :: 174.430 CA :: 60.323 CB :: 40.297 CG1 :: 29.200 CG2 :: 20.323 CD1 :: 15.772 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 :: 9.355 HA :: 4.853 HB :: 1.681 HG12 :: 1.121 HG13 :: 0.530 HG21 :: 0.641 HG22 :: 0.641 HG23 :: 0.641 HD11 :: 0.692 HD12 :: 0.692 HD13 :: 0.692 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 :: 126.045 Ave N Shift Values>> N :: 121.6(4.72) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 G 0.29 R 0.1 K 0.04 C Shift Assignments>> C :: 175.523 CA :: 54.386 CB :: 34.638 CG :: 26.586 CD :: 44.032 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 :: 9.097 HA :: 5.545 HB2 :: 1.411 HB3 :: 1.411 HG2 :: 1.666 HG3 :: 1.319 HD2 :: 2.948 HD3 :: 2.683 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 :: 127.831 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.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 C 0.38 G 0.16 HN Overlap>> 1.V77 1.V77 C Shift Assignments>> C :: 173.560 CA :: 54.767 CB :: 43.168 CD1 :: 133.380 CD2 :: 133.380 CE1 :: 117.964 CE2 :: 117.964 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 :: 8.893 HA :: 6.272 HB2 :: 2.837 HB3 :: 2.709 HD1 :: 6.654 HD2 :: 6.654 HE1 :: 6.460 HE2 :: 6.460 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 :: 123.683 Ave N Shift Values>> N :: 120.79(4.69) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 Y 0.38 C Shift Assignments>> C :: 173.870 CA :: 55.485 CB :: 39.975 CD1 :: 134.728 CD2 :: 134.728 CE1 :: 116.995 CE2 :: 116.995 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 :: 8.479 HA :: 5.048 HB2 :: 2.897 HB3 :: 2.897 HD1 :: 6.755 HD2 :: 6.755 HE1 :: 6.528 HE2 :: 6.528 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 :: 114.778 Ave N Shift Values>> N :: 120.79(4.69) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.38 I 0.11 K 0.05 M 0.04 C Shift Assignments>> C :: 177.764 CA :: 57.123 CB :: 29.773 CG :: 37.103 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 :: 9.111 HA :: 3.819 HB2 :: 1.894 HB3 :: 1.562 HG2 :: 2.331 HG3 :: 1.960 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 :: 122.069 Ave N Shift Values>> N :: 120.68(3.68) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.39 R 0.15 M 0.02 G 0.01 C Shift Assignments>> C :: 176.588 CA :: 59.774 CB :: 33.032 CG :: 24.713 CD :: 29.617 CE :: 42.163 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 :: 8.246 HA :: 3.722 HB2 :: 1.638 HB3 :: 1.461 HG2 :: 1.349 HG3 :: 1.217 HD2 :: 1.561 HD3 :: 1.498 HE2 :: 2.890 HE3 :: 2.890 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.857 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 I 0.13 K 0.08 Q 0.02 M 0.01 C Shift Assignments>> C :: 176.987 CA :: 57.447 CB :: 28.987 CG :: 36.759 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 :: 8.192 HA :: 4.216 HB2 :: 2.094 HB3 :: 1.876 HG2 :: 2.170 HG3 :: 2.170 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 :: 114.305 Ave N Shift Values>> N :: 120.68(3.68) 1.H50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.44 C 0.33 W 0.21 C Shift Assignments>> C :: 173.255 CA :: 54.372 CB :: 31.082 CD2 :: 118.088 CE1 :: 138.382 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 :: 8.329 HA :: 4.928 HB2 :: 3.423 HB3 :: 3.423 HD2 :: 6.947 HE1 :: 7.834 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 :: 120.021 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.25 C 0.13 Y 0.06 L 0.05 F 0.05 C Shift Assignments>> C :: 174.779 CA :: 52.561 CB :: 39.474 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 :: 7.687 HA :: 4.259 HB2 :: 2.823 HB3 :: 2.709 HD21 :: 7.617 HD22 :: 6.928 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 :: 114.158 ND2 :: 113.857 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.29 E 0.26 K 0.17 Q 0.15 I 0.06 M 0.02 R 0.01 HN Overlap>> 1.Y88 1.Y88 C Shift Assignments>> C :: 177.117 CA :: 58.155 CB :: 28.912 CG :: 35.239 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 :: 8.551 HA :: 2.797(S) HB2 :: 1.450 HB3 :: 1.450 HG2 :: 1.521(S) HG3 :: 1.467(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 :: 117.019 Ave N Shift Values>> N :: 120.68(3.68) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.46 C Shift Assignments>> C :: 175.783 CA :: 58.785 CB :: 37.747 CD1 :: 131.360 CD2 :: 131.360 CE1 :: 131.449 CE2 :: 131.449 CZ :: 129.870 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 :: 7.855 HA :: 4.371 HB2 :: 3.138 HB3 :: 2.943 HD1 :: 7.138 HD2 :: 7.138 HE1 :: 7.264 HE2 :: 7.264 HZ :: 7.216 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 :: 119.462 Ave N Shift Values>> N :: 120.69(4.18) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.16 C 0.16 Y 0.05 F 0.04 L 0.02 C Shift Assignments>> C :: 173.922 CA :: 52.102 CB :: 38.637 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 :: 7.744 HA :: 4.948 HB2 :: 2.863 HB3 :: 2.500 HD21 :: 7.307 HD22 :: 6.745 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 :: 120.451 ND2 :: 111.464 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 173.922 CA :: 57.883 CB :: 66.064 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.469 HA :: 4.710 HB2 :: 3.846 HB3 :: 3.639 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 :: 113.429 Ave N Shift Values>> N :: 116.3(3.95) 1.S56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 171.119 CA :: 57.866 CB :: 65.164 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.458 HA :: 4.632 HB2 :: 3.522 HB3 :: 2.445(S) 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 :: 116.653 Ave N Shift Values>> N :: 116.3(3.95) 1.M57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.35 C 0.32 M 0.31 C Shift Assignments>> C :: 175.771 CA :: 53.913 CB :: 36.115 CG :: 32.249 CE :: 17.206 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 :: 8.355 HA :: 5.776 HB2 :: 1.967 HB3 :: 1.967 HG2 :: 2.509 HG3 :: 2.462 HE1 :: 1.997 HE2 :: 1.997 HE3 :: 1.997 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 :: 119.463 Ave N Shift Values>> N :: 120.1(3.88) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.33 L 0.33 C 0.18 M 0.1 K 0.03 C Shift Assignments>> C :: 175.328 CA :: 50.829 CB :: 22.649 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.547 HA :: 4.890 HB1 :: 1.530 HB2 :: 1.530 HB3 :: 1.530 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.410 Ave N Shift Values>> N :: 123.23(3.7) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.25 R 0.23 G 0.09 C Shift Assignments>> C :: 176.336 CA :: 54.843 CB :: 33.691 CG :: 28.130 CD :: 43.328 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 :: 8.776 HA :: 5.567 HB2 :: 1.875 HB3 :: 1.795 HG2 :: 1.745 HG3 :: 1.604 HD2 :: 3.221 HD3 :: 3.221 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.945 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.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 174.614 CA :: 56.752 CB :: 66.198 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.919 HA :: 5.011 HB2 :: 4.025 HB3 :: 4.025 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 :: 115.274 Ave N Shift Values>> N :: 116.3(3.95) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.27 Q 0.16 K 0.15 M 0.07 I 0.03 C Shift Assignments>> C :: 175.391 CA :: 57.664 CB :: 29.763 CG :: 35.137 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 :: 9.367 HA :: 4.556 HB2 :: 2.436 HB3 :: 2.191 HG2 :: 2.621 HG3 :: 2.621 HE21 :: 7.769 HE22 :: 6.970 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 :: 124.808 NE2 :: 112.332 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.15 C Shift Assignments>> C :: 173.106 CA :: 59.369 CB :: 70.607 CG2 :: 20.548 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 :: 8.075 HA :: 4.918 HB :: 4.260 HG21 :: 1.193 HG22 :: 1.193 HG23 :: 1.193 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 :: 110.260 Ave N Shift Values>> N :: 115.7(5.05) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 M 0.22 Q 0.15 K 0.12 E 0.06 N 0.03 H 0.03 W 0.02 R 0.01 Y 0.01 C Shift Assignments>> C :: 172.343 CA :: 53.270 CB :: 34.441 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 :: 8.575 HA :: 3.457 HB2 :: 2.211 HB3 :: 1.886 HD21 :: 7.690 HD22 :: 6.554 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.090 ND2 :: 112.834 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 172.238 CA :: 60.501 CB :: 71.252 CG2 :: 19.689 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 :: 6.850 HA :: 4.296 HB :: 3.670 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 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 :: 111.612 Ave N Shift Values>> N :: 115.7(5.05) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 A 0.29 M 0.14 C 0.13 K 0.03 C Shift Assignments>> C :: 174.046 CA :: 52.102 CB :: 22.427 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.619 HA :: 4.595 HB1 :: 1.422 HB2 :: 1.422 HB3 :: 1.422 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.370 Ave N Shift Values>> N :: 123.23(3.7) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.33 K 0.19 G 0.07 HN Overlap>> 1.K94 1.K94 C Shift Assignments>> C :: 175.240 CA :: 54.560 CB :: 32.088 CG :: 27.854 CD :: 43.319 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 :: 8.533 HA :: 4.973 HB2 :: 1.703 HB3 :: 1.483 HG2 :: 1.332 HG3 :: 0.976 HD2 :: 3.036 HD3 :: 2.947 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.633 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.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 174.026 CA :: 60.377 CB :: 38.044 CG1 :: 25.985 CG2 :: 17.581 CD1 :: 12.472 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 :: 8.967 HA :: 4.013 HB :: 1.231 HG12 :: 1.103 HG13 :: 0.613 HG21 :: 0.067 HG22 :: 0.067 HG23 :: 0.067 HD11 :: 0.106 HD12 :: 0.106 HD13 :: 0.106 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 :: 128.560 Ave N Shift Values>> N :: 121.6(4.72) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.23 C 0.12 R 0.11 D 0.07 F 0.01 C Shift Assignments>> C :: 175.792 CA :: 52.474 CB :: 44.116 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 :: 8.117 HA :: 5.060 HB2 :: 2.612 HB3 :: 2.518 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 :: 125.243 Ave N Shift Values>> N :: 120.73(4.2) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 175.359 CA :: 46.356 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.568 HA2 :: 3.951 HA3 :: 3.830 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.736 Ave N Shift Values>> N :: 109.91(4.29) 1.L70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.69 C 0.2 L 0.09 C Shift Assignments>> C :: 175.151 CA :: 53.110 CB :: 40.992 CG :: 25.952 CD1 :: 25.105 CD2 :: 19.646 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 :: 7.982 HA :: 4.356 HB2 :: 1.418 HB3 :: 0.919 HG :: 0.937 HD11 :: -0.126(S) HD12 :: -0.126(S) HD13 :: -0.126(S) HD21 :: 0.017 HD22 :: 0.017 HD23 :: 0.017 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 :: 118.817 Ave N Shift Values>> N :: 121.98(4.07) 1.R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.33 G 0.28 K 0.03 C Shift Assignments>> C :: 174.419 CA :: 53.534 CB :: 32.001 CG :: 27.183 CD :: 44.167 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 :: 8.148 HA :: 4.922 HB2 :: 1.886 HB3 :: 1.702 HG2 :: 1.827 HG3 :: 1.701 HD2 :: 3.282 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 :: 118.182 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.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 178.121 CA :: 63.416 CB :: 32.908 CG :: 27.469 CD :: 51.283 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 :: 5.168 HB2 :: 2.366 HB3 :: 2.001 HG2 :: 2.127 HG3 :: 1.920 HD2 :: 3.778 HD3 :: 3.714 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.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 173.685 CA :: 46.731 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.705 HA2 :: 3.856 HA3 :: 3.508 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.669 Ave N Shift Values>> N :: 109.91(4.29) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.27 A 0.26 C Shift Assignments>> C :: 173.525 CA :: 53.216 CB :: 33.610 CG :: 32.578 CE :: 16.512 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 :: 7.511 HA :: 4.742 HB2 :: 1.866 HB3 :: 1.769 HG2 :: 2.221 HG3 :: 2.033 HE1 :: 1.926 HE2 :: 1.926 HE3 :: 1.926 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 :: 119.820 Ave N Shift Values>> N :: 120.1(3.88) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 174.677 CA :: 61.581 CB :: 32.345 CG1 :: 21.352 CG2 :: 22.437 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 :: 7.651 HA :: 4.361 HB :: 1.786 HG11 :: 0.876 HG12 :: 0.876 HG13 :: 0.876 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 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 :: 121.287 Ave N Shift Values>> N :: 121.02(4.96) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 174.740 CA :: 57.424 CB :: 41.151 CD1 :: 132.360 CD2 :: 132.360 CE1 :: 119.277 CE2 :: 119.277 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 :: 9.405 HA :: 4.743 HB2 :: 2.544 HB3 :: 2.418 HD1 :: 6.861 HD2 :: 6.861 HE1 :: 6.910 HE2 :: 6.910 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 :: 126.231 Ave N Shift Values>> N :: 120.79(4.69) 1.V77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.67 C 0.32 HN Overlap>> 1.Y45 1.Y45 C Shift Assignments>> C :: 175.773 CA :: 61.473 CB :: 31.218 CG1 :: 21.759 CG2 :: 21.376 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 :: 8.867 HA :: 4.318 HB :: 0.325(S) HG11 :: 0.573 HG12 :: 0.573 HG13 :: 0.573 HG21 :: 0.573 HG22 :: 0.573 HG23 :: 0.573 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.699 Ave N Shift Values>> N :: 121.02(4.96) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 V 0.49 C Shift Assignments>> C :: 175.275 CA :: 60.942 CB :: 34.790 CG1 :: 23.185 CG2 :: 21.372 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 :: 8.683 HA :: 4.995 HB :: 1.893 HG11 :: 0.684 HG12 :: 0.684 HG13 :: 0.684 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 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 :: 124.155 Ave N Shift Values>> N :: 121.02(4.96) 1.Q79 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 C Shift Assignments>> C :: 173.361 CA :: 54.666 CB :: 36.751(S) CG :: 36.580 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 :: 8.613 HA :: 4.511 HB2 :: 2.266 HB3 :: 1.463 HG2 :: 2.360 HG3 :: 1.697 HE21 :: 8.422 HE22 :: 7.421 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 :: 121.693 NE2 :: 115.797 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.16 I 0.03 A 0.02 C Shift Assignments>> C :: 174.526 CA :: 58.750 CB :: 35.479 CG1 :: 21.909 CG2 :: 18.606 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.019 HA :: 5.801 HB :: 1.169 HG11 :: 0.020 HG12 :: 0.020 HG13 :: 0.020 HG21 :: 0.213 HG22 :: 0.213 HG23 :: 0.213 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 :: 118.559 Ave N Shift Values>> N :: 121.02(4.96) 1.R81 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.45 K 0.31 R 0.13 G 0.09 C Shift Assignments>> C :: 172.660 CA :: 54.295 CB :: 33.750 CG :: 25.103 CD :: 43.208 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 :: 9.199 HA :: 4.951 HB2 :: 1.456 HB3 :: 0.693(S) HG2 :: 1.565 HG3 :: 1.132 HD2 :: 2.490 HD3 :: 0.675(A) HE :: 5.921 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 :: 125.225 NE :: 83.856 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.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 L 0.26 C 0.16 M 0.1 K 0.01 C Shift Assignments>> C :: 174.783 CA :: 50.741 CB :: 22.383 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.762 HA :: 4.820 HB1 :: 1.334 HB2 :: 1.334 HB3 :: 1.334 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.292 Ave N Shift Values>> N :: 123.23(3.7) 1.R83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 K 0.32 R 0.1 G 0.06 C Shift Assignments>> C :: 175.290 CA :: 55.727 CB :: 34.562 CG :: 28.926 CD :: 43.104 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 :: 8.336 HA :: 4.737 HB2 :: 1.914 HB3 :: 1.178 HG2 :: 0.997 HG3 :: 0.448(S) HD2 :: 2.904 HD3 :: 2.482 HE :: 8.818 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 :: 121.023 NE :: 85.704 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.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.3 A 0.01 HN Overlap>> 1.S106 1.S106 C Shift Assignments>> C :: 176.218 CA :: 59.475 CB :: 72.440 CG2 :: 20.877 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 :: 8.485 HA :: 4.875 HB :: 4.462 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 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 :: 116.374 Ave N Shift Values>> N :: 115.7(5.05) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 175.930 CA :: 64.934 CB :: 31.621 CG1 :: 21.080 CG2 :: 20.777 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.283 HA :: 3.794 HB :: 2.159 HG11 :: 1.035 HG12 :: 1.035 HG13 :: 1.035 HG21 :: 1.013 HG22 :: 1.013 HG23 :: 1.013 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.099 Ave N Shift Values>> N :: 121.02(4.96) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.21 C 0.03 L 0.01 C Shift Assignments>> C :: 177.467 CA :: 52.774 CB :: 19.733 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.840 HA :: 4.242 HB1 :: 1.211 HB2 :: 1.211 HB3 :: 1.211 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.263 Ave N Shift Values>> N :: 123.23(3.7) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.3 L 0.24 R 0.24 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 171.960 CA :: 44.170 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.365 HA2 :: 4.402 HA3 :: 3.588 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.736 Ave N Shift Values>> N :: 109.91(4.29) 1.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.E52 1.E52 C Shift Assignments>> C :: 179.239 CA :: 58.308 CB :: 41.442 CD1 :: 132.603 CD2 :: 132.603 CE1 :: 118.655 CE2 :: 118.655 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 :: 8.444 HA :: 5.063 HB2 :: 3.075 HB3 :: 2.608 HD1 :: 6.896 HD2 :: 6.896 HE1 :: 6.653 HE2 :: 6.653 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 :: 116.996 Ave N Shift Values>> N :: 120.79(4.69) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.26 G 0.21 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.844 CA :: 43.916 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.676 HA2 :: 4.324 HA3 :: 3.973 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.850 Ave N Shift Values>> N :: 109.91(4.29) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.21 M 0.02 G 0.01 C Shift Assignments>> C :: 177.819 CA :: 56.162 CB :: 32.730 CG :: 25.162 CD :: 29.100 CE :: 42.291 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 :: 8.711 HA :: 4.166 HB2 :: 1.864 HB3 :: 1.734 HG2 :: 1.562 HG3 :: 1.562 HD2 :: 1.698 HD3 :: 1.698 HE2 :: 3.035 HE3 :: 3.035 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.382 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 0.7 C 0.29 C Shift Assignments>> C :: 176.805 CA :: 61.027 CB :: 39.995 CD1 :: 131.360 CD2 :: 131.360 CE1 :: 131.449 CE2 :: 131.449 CZ :: 129.376 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 :: 8.698 HA :: 4.241 HB2 :: 3.192 HB3 :: 2.799 HD1 :: 7.062 HD2 :: 7.062 HE1 :: 7.132 HE2 :: 7.132 HZ :: 7.025 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 :: 120.691 Ave N Shift Values>> N :: 120.69(4.18) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> 1.T10 1.T10 C Shift Assignments>> C :: 173.499 CA :: 58.146 CB :: 65.329 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.311 HA :: 4.259 HB2 :: 4.238 HB3 :: 4.087 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 :: 115.098 Ave N Shift Values>> N :: 116.3(3.95) 1.G93 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 :: 174.375 CA :: 45.331 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.869 HA2 :: 4.071 HA3 :: 3.780 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.252 Ave N Shift Values>> N :: 109.91(4.29) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.35 R 0.25 M 0.01 HN Overlap>> 1.R66 1.R66 C Shift Assignments>> C :: 176.004 CA :: 59.068 CB :: 33.072 CG :: 25.834 CD :: 29.694 CE :: 42.054 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 :: 8.619 HA :: 3.633 HB2 :: 1.634 HB3 :: 1.488 HG2 :: 1.523 HG3 :: 1.031 HD2 :: 1.619 HD3 :: 1.619 HE2 :: 2.960 HE3 :: 2.741 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.645 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 A 0.36 M 0.14 I 0.01 C Shift Assignments>> C :: 173.400 CA :: 54.701 CB :: 37.784 CG :: 33.088 CE :: 17.418 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 :: 7.547 HA :: 4.520 HB2 :: 1.791 HB3 :: 1.791 HG2 :: 2.528 HG3 :: 2.475 HE1 :: 2.192 HE2 :: 2.192 HE3 :: 2.192 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.392 Ave N Shift Values>> N :: 120.1(3.88) 1.C96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.13 R 0.13 Q 0.12 C 0.12 K 0.1 M 0.05 I 0.02 V 0.01 C Shift Assignments>> C :: 173.757 CA :: 57.353 CB :: 29.941 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.888 HA :: 5.465 HB2 :: 2.544 HB3 :: 2.409 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.124 Ave N Shift Values>> N :: 119.95(4.79) 1.F97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 G 0.33 C 0.3 C Shift Assignments>> C :: 173.309 CA :: 56.983 CB :: 44.074 CD1 :: 132.619 CD2 :: 132.619 CE1 :: 131.046 CE2 :: 131.046 CZ :: 129.606 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 :: 9.133 HA :: 4.879 HB2 :: 3.338 HB3 :: 2.315 HD1 :: 7.195 HD2 :: 7.195 HE1 :: 7.150 HE2 :: 7.150 HZ :: 7.041 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 :: 121.239 Ave N Shift Values>> N :: 120.69(4.18) 1.Q98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.45 C 0.43 Q 0.07 E 0.02 C Shift Assignments>> C :: 176.454 CA :: 54.125 CB :: 33.444 CG :: 33.387 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 :: 8.884 HA :: 5.809(S) HB2 :: 2.076 HB3 :: 1.888 HG2 :: 2.690 HG3 :: 2.690 HE21 :: 7.363 HE22 :: 6.734 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 :: 120.699 NE2 :: 110.808 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 T 0.15 C Shift Assignments>> C :: 175.929 CA :: 60.341 CB :: 70.070 CG2 :: 25.162 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 :: 8.176 HA :: 4.324 HB :: 4.809 HG21 :: 1.077 HG22 :: 1.077 HG23 :: 1.077 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 :: 112.214 Ave N Shift Values>> N :: 115.7(5.05) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.26 A 0.14 R 0.11 G 0.01 C Shift Assignments>> C :: 177.359 CA :: 54.790 CB :: 42.096 CG :: 26.972 CD1 :: 26.374 CD2 :: 21.754 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 :: 7.368 HA :: 4.310 HB2 :: 1.686 HB3 :: 1.225 HG :: 1.284 HD11 :: 0.933 HD12 :: 0.933 HD13 :: 0.933 HD21 :: 0.852 HD22 :: 0.852 HD23 :: 0.852 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 :: 117.018 Ave N Shift Values>> N :: 121.98(4.07) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.014 CA :: 61.968 CB :: 70.172 CG2 :: 21.939 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 :: 7.997 HA :: 4.123 HB :: 4.197 HG21 :: 1.214 HG22 :: 1.214 HG23 :: 1.214 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 :: 110.428 Ave N Shift Values>> N :: 115.7(5.05) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.23 K 0.13 C 0.1 N 0.07 R 0.07 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.204 CA :: 53.694 CB :: 41.808 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 :: 8.320 HA :: 4.853 HB2 :: 2.731 HB3 :: 2.651 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 :: 120.693 Ave N Shift Values>> N :: 120.73(4.2) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.875 CA :: 58.361 CB :: 63.942 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.294 HA :: 4.486 HB2 :: 3.950 HB3 :: 3.847 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 :: 117.442 Ave N Shift Values>> N :: 116.3(3.95) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 172.016 CA :: 44.800 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.393 HA2 :: 4.104 HA3 :: 4.104 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.065 Ave N Shift Values>> N :: 109.91(4.29) 1.P105 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 :: 177.464 CA :: 63.329 CB :: 32.249 CG :: 27.173 CD :: 49.835 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 :: 4.475 HB2 :: 2.302 HB3 :: 1.972 HG2 :: 2.007 HG3 :: 2.007 HD2 :: 3.624 HD3 :: 3.624 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.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T84 1.T84 C Shift Assignments>> C :: 174.735 CA :: 58.361 CB :: 63.820 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.514 HA :: 4.512 HB2 :: 3.907 HB3 :: 3.907 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 :: 116.429 Ave N Shift Values>> N :: 116.3(3.95) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.004 CA :: 58.414 CB :: 64.014 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.329 HA :: 4.512 HB2 :: 3.896 HB3 :: 3.896 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 :: 117.919 Ave N Shift Values>> N :: 116.3(3.95) 1.G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 179.008 CA :: 46.250 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.053 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.885 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 99 #Clerical: 0 #Suspicious: 6 #Anomalous: 2 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 102 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 106 #Suspicious: 2 C Shift Results: #Consistent: 449 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 693 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 2 N Shift Results: #Consistent: 108 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.W28 HE1 = 6.142(A), Expected = 10.13, Std = 0.5300, ChiSquare = 5.2911e-14 1.W28 SRO Rule Break>> HE1 > HD1 : 0.993006993006993 1.W28 SRO Rule Break>> HE1 > HZ3 : 0.992378048780488 1.E52 HA = 2.797(S), Expected = 4.26, Std = 0.4300, ChiSquare = 6.6815e-04 1.E52 HG2 = 1.521(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.7186e-04 1.E52 HG3 = 1.467(S), Expected = 2.31, Std = 0.2100, ChiSquare = 5.9626e-05 1.S56 HB3 = 2.445(S), Expected = 3.87, Std = 0.3100, ChiSquare = 4.2908e-06 1.L70 HD11 = -0.126(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.0496e-04 1.L70 HD12 = -0.126(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.0496e-04 1.L70 HD13 = -0.126(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.0496e-04 1.V77 HB = 0.325(S), Expected = 1.99, Std = 0.3300, ChiSquare = 4.5244e-07 1.Q79 Typing: Mistyped 1.Q79 CB = 36.751(S), Expected = 29.10, Std = 1.9700, ChiSquare = 1.0285e-04 1.R81 HB3 = 0.693(S), Expected = 1.78, Std = 0.2800, ChiSquare = 1.0354e-04 1.R81 HD3 = 0.675(A), Expected = 3.13, Std = 0.2200, ChiSquare = 6.4649e-29 1.R81 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.R81 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.R81 SRO Rule Break>> HD3 > HG2 : 0.997402597402597 1.R81 SRO Rule Break>> HD3 > HG3 : 0.998244844229925 1.R83 HG3 = 0.448(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.7578e-05 1.Q98 HA = 5.809(S), Expected = 4.28, Std = 0.4400, ChiSquare = 5.1085e-04