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 0.54 T 0.45 C Shift Assignments>> C :: 177.196 CA :: 61.236 CB :: 66.187 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.522 HB2 :: 3.986 HB3 :: 3.986 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 0.68 C 0.22 L 0.03 P 0.02 A 0.02 C Shift Assignments>> C :: 176.304 CA :: 47.350 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.431 HA2 :: 4.017 HA3 :: 4.073 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.413 Ave N Shift Values>> N :: 109.91(4.29) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 E 0.2 I 0.19 M 0.03 C Shift Assignments>> C :: 176.998 CA :: 58.475 CB :: 31.210 CG :: 38.605 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 :: 8.409 HA :: 4.584 HB2 :: 2.279 HB3 :: 2.015 HG2 :: 2.407 HG3 :: 2.460 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 :: 122.213 Ave N Shift Values>> N :: 120.68(3.68) 1.P9 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.99 C Shift Assignments>> C :: 179.727 CA :: 68.708(A) CB :: 34.915 CG :: 30.342 CD :: 52.674 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 :: 4.102 HB2 :: 2.040 HB3 :: 2.393 HG2 :: 2.201 HG3 :: 2.412 HD2 :: 3.977 HD3 :: 4.070 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.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.32 C Shift Assignments>> C :: 180.251 CA :: 63.129 CB :: 31.026 CG :: 39.645 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 :: 9.327 HA :: 3.688 HB2 :: 1.928 HB3 :: 2.081 HG2 :: 2.319 HG3 :: 2.319 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 :: 116.183 Ave N Shift Values>> N :: 120.68(3.68) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.3 I 0.26 M 0.03 K 0.02 Q 0.01 C Shift Assignments>> C :: 181.308 CA :: 60.671 CB :: 30.449 CG :: 36.430 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.505 HA :: 3.990 HB2 :: 2.172 HB3 :: 2.286 HG2 :: 2.427 HG3 :: 2.531 HE21 :: 7.594 HE22 :: 6.914 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 :: 116.609 NE2 :: 112.639 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 178.784 CA :: 68.925 CB :: 33.502 CG1 :: 24.476 CG2 :: 23.175 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 :: 7.595 HA :: 3.279 HB :: 1.752 HG11 :: 0.914 HG12 :: 0.914 HG13 :: 0.914 HG21 :: 0.583 HG22 :: 0.583 HG23 :: 0.583 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 :: 122.188 Ave N Shift Values>> N :: 121.02(4.96) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 I 0.15 C Shift Assignments>> C :: 182.121 CA :: 65.367 CB :: 37.960 CG1 :: 31.939 CG2 :: 22.224 CD1 :: 12.917 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 :: 7.228 HA :: 3.457 HB :: 2.003 HG12 :: 1.695 HG13 :: 1.025 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 HD11 :: 0.552 HD12 :: 0.552 HD13 :: 0.552 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 :: 115.275 Ave N Shift Values>> N :: 121.6(4.72) 1.R14 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.46 R 0.01 HN Overlap>> 1.D80 1.D80 C Shift Assignments>> C :: 179.801 CA :: 60.362 CB :: 32.926 CG :: 29.370 CD :: 46.050(A) 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 :: 8.009 HA :: 3.909 HB2 :: 1.910 HB3 :: 1.910 HG2 :: 1.772 HG3 :: 1.823 HD2 :: 3.100 HD3 :: 3.136 HE :: 7.504 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.984 NE :: 111.613 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.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 G 0.37 R 0.2 HN Overlap>> 1.L50 1.L50 C Shift Assignments>> C :: 180.586 CA :: 61.178 CB :: 34.415 CG :: 26.775 CD :: 31.977 CE :: 44.371 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 :: 7.584 HA :: 3.950 HB2 :: 1.604 HB3 :: 1.303 HG2 :: 0.859 HG3 :: 1.045 HD2 :: 1.417 HD3 :: 1.492 HE2 :: 2.895 HE3 :: 2.895 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.709 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 Y 0.15 G 0.02 C Shift Assignments>> C :: 176.199 CA :: 58.934 CB :: 41.834 CD1 :: 135.406 CD2 :: 135.406 CE1 :: 119.927 CE2 :: 119.927 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 :: 6.693 HA :: 5.077 HB2 :: 3.399 HB3 :: 2.186 HD1 :: 7.170 HD2 :: 7.170 HE1 :: 6.869 HE2 :: 6.869 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 :: 114.240 Ave N Shift Values>> N :: 120.79(4.69) 1.T17 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 176.054 CA :: 61.307 CB :: 76.332(S) CG2 :: 24.696 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 :: 7.236 HA :: 5.538 HB :: 3.650 HG21 :: 0.957 HG22 :: 0.957 HG23 :: 0.957 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 :: 105.620 Ave N Shift Values>> N :: 115.7(5.05) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 E 0.02 M 0.02 HN Overlap>> 1.E33 1.E33 C Shift Assignments>> C :: 177.970 CA :: 56.353 CB :: 34.767 CG :: 38.278 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 :: 8.720 HA :: 4.694 HB2 :: 1.922 HB3 :: 2.027 HG2 :: 2.219 HG3 :: 2.324 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 :: 120.154 Ave N Shift Values>> N :: 120.68(3.68) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 I 0.13 K 0.04 E 0.03 M 0.01 C Shift Assignments>> C :: 178.704 CA :: 59.915 CB :: 32.877 CG :: 39.328 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 :: 8.958 HA :: 4.421 HB2 :: 2.052 HB3 :: 1.984 HG2 :: 2.173 HG3 :: 2.404 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.928 Ave N Shift Values>> N :: 120.68(3.68) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.33 R 0.15 L 0.03 C Shift Assignments>> C :: 178.803 CA :: 55.693 CB :: 45.246 CG :: 29.333 CD1 :: 28.013 CD2 :: 24.765 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 :: 8.748 HA :: 4.733 HB2 :: 1.551 HB3 :: 1.551 HG :: 1.731 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.938 HD22 :: 0.938 HD23 :: 0.938 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 :: 126.922 Ave N Shift Values>> N :: 121.98(4.07) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 G 0.3 R 0.27 C Shift Assignments>> C :: 179.039 CA :: 59.912 CB :: 35.064 CG :: 27.472 CD :: 31.059 CE :: 44.530 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 :: 8.726 HA :: 4.317 HB2 :: 1.903 HB3 :: 1.985 HG2 :: 1.565 HG3 :: 1.650 HD2 :: 1.786 HD3 :: 1.786 HE2 :: 3.090 HE3 :: 3.090 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 :: 122.207 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.4 C Shift Assignments>> C :: 177.144 CA :: 62.816 CB :: 36.466 CG1 :: 22.988 CG2 :: 23.139 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 :: 7.558 HA :: 4.231 HB :: 1.943 HG11 :: 0.945 HG12 :: 0.945 HG13 :: 0.945 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.694 Ave N Shift Values>> N :: 121.02(4.96) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.2 C 0.04 L 0.03 C Shift Assignments>> C :: 177.728 CA :: 52.592 CB :: 20.149 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.858 HA :: 4.329 HB1 :: 1.315 HB2 :: 1.315 HB3 :: 1.315 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.565 Ave N Shift Values>> N :: 123.23(3.7) 1.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.92 S 0.05 P 0.01 C Shift Assignments>> C :: 178.238 CA :: 64.144 CB :: 34.920 CG :: 29.515 CD :: 52.726 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 :: 4.617 HB2 :: 2.422 HB3 :: 1.847 HG2 :: 1.946 HG3 :: 1.946 HD2 :: 3.302 HD3 :: 4.013 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.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.23 E 0.22 M 0.02 C Shift Assignments>> C :: 177.904 CA :: 58.095 CB :: 30.454 CG :: 38.641 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 :: 8.731 HA :: 4.411 HB2 :: 1.955 HB3 :: 2.194 HG2 :: 2.314 HG3 :: 2.359 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 :: 122.475 Ave N Shift Values>> N :: 120.68(3.68) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 C Shift Assignments>> C :: 176.906 CA :: 57.253 CB :: 35.685 CG :: 38.631 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.822 HA :: 4.600 HB2 :: 2.234 HB3 :: 1.830 HG2 :: 2.142 HG3 :: 2.298 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 :: 119.931 Ave N Shift Values>> N :: 120.68(3.68) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.25 C 0.12 G 0.07 K 0.06 F 0.06 D 0.04 Y 0.04 C Shift Assignments>> C :: 178.751 CA :: 56.681 CB :: 43.574 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 :: 8.456 HA :: 4.810 HB2 :: 2.230 HB3 :: 2.360 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.355 Ave N Shift Values>> N :: 120.73(4.2) 1.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.36 C 0.22 P 0.11 K 0.06 W 0.05 Q 0.04 M 0.04 R 0.02 E 0.02 I 0.01 H 0.01 C Shift Assignments>> C :: 179.715 CA :: 61.207 CB :: 33.393 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.975 HA :: 4.661 HB2 :: 2.687 HB3 :: 3.968 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 :: 124.460 Ave N Shift Values>> N :: 119.95(4.79) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 V 0.39 I 0.17 HN Overlap>> 1.K48 1.K48 C Shift Assignments>> C :: 178.413 CA :: 65.326 CB :: 40.108 CG1 :: 30.843 CG2 :: 21.297 CD1 :: 16.509 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 :: 8.933 HA :: 4.573 HB :: 2.327 HG12 :: 1.635 HG13 :: 1.635 HG21 :: 1.112 HG22 :: 1.112 HG23 :: 1.112 HD11 :: 0.988 HD12 :: 0.988 HD13 :: 0.988 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.573 Ave N Shift Values>> N :: 121.6(4.72) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 V 0.21 C 0.18 G 0.03 C Shift Assignments>> C :: 178.710 CA :: 67.271 CB :: 41.043 CG1 :: 30.601 CG2 :: 19.208 CD1 :: 16.782 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 :: 8.428 HA :: 4.143 HB :: 2.073 HG12 :: 1.043 HG13 :: 1.872 HG21 :: 1.096 HG22 :: 1.096 HG23 :: 1.096 HD11 :: 0.605 HD12 :: 0.605 HD13 :: 0.605 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 :: 120.981 Ave N Shift Values>> N :: 121.6(4.72) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 V 0.23 E 0.09 I 0.08 K 0.06 Q 0.05 M 0.04 Y 0.03 W 0.02 P 0.02 F 0.01 R 0.01 C Shift Assignments>> C :: 177.983 CA :: 60.812 CB :: 34.678 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.764 HA :: 5.040 HB2 :: 3.347 HB3 :: 3.609 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 :: 115.295 Ave N Shift Values>> N :: 119.95(4.79) 1.M32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 I 0.21 M 0.07 A 0.01 C Shift Assignments>> C :: 177.850 CA :: 59.114 CB :: 30.380 CG :: 35.286 CE :: 18.588 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 :: 8.710 HA :: 4.433 HB2 :: 2.415 HB3 :: 2.511 HG2 :: 2.727 HG3 :: 2.488 HE1 :: 2.161 HE2 :: 2.161 HE3 :: 2.161 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 :: 118.705 Ave N Shift Values>> N :: 120.1(3.88) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 E 0.17 M 0.11 I 0.02 HN Overlap>> 1.E18 1.E18 C Shift Assignments>> C :: 178.856 CA :: 56.702 CB :: 33.232 CG :: 37.616 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 :: 8.743 HA :: 4.810 HB2 :: 2.264 HB3 :: 2.264 HG2 :: 2.386 HG3 :: 2.386 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 :: 120.161 Ave N Shift Values>> N :: 120.68(3.68) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.3 G 0.26 HN Overlap>> 1.L83 1.L83 C Shift Assignments>> C :: 179.973 CA :: 59.284 CB :: 34.915 CG :: 27.406 CD :: 31.072 CE :: 44.483 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 :: 8.805 HA :: 4.500 HB2 :: 2.106 HB3 :: 1.890 HG2 :: 1.700 HG3 :: 1.700 HD2 :: 1.665 HD3 :: 1.811 HE2 :: 3.055 HE3 :: 3.088 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 :: 121.262 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L35 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.38 G 0.09 K 0.08 C Shift Assignments>> C :: 178.512 CA :: 59.584 CB :: 43.386 CG :: 29.729 CD1 :: 29.736(A) CD2 :: 26.116 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 :: 8.443 HA :: 3.701 HB2 :: 2.003 HB3 :: 1.172 HG :: 1.486 HD11 :: 0.610 HD12 :: 0.610 HD13 :: 0.610 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 :: 121.144 Ave N Shift Values>> N :: 121.98(4.07) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 M 0.23 A 0.13 C 0.12 K 0.05 V 0.02 T 0.01 HN Overlap>> 1.T45 1.T45 C Shift Assignments>> C :: 179.498 CA :: 54.725 CB :: 22.115 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.859 HA :: 4.122 HB1 :: 1.478 HB2 :: 1.478 HB3 :: 1.478 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 114.516 Ave N Shift Values>> N :: 123.23(3.7) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.27 C Shift Assignments>> C :: 175.623 CA :: 61.307 CB :: 36.140 CG1 :: 23.550 CG2 :: 22.653 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 :: 7.706 HA :: 4.658 HB :: 2.477 HG11 :: 1.039 HG12 :: 1.039 HG13 :: 1.039 HG21 :: 1.229 HG22 :: 1.229 HG23 :: 1.229 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.474 Ave N Shift Values>> N :: 121.02(4.96) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 L 0.29 A 0.19 C 0.11 V 0.03 T 0.02 K 0.02 C Shift Assignments>> C :: 179.332 CA :: 54.941 CB :: 21.607 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.896 HA :: 4.037 HB1 :: 1.290 HB2 :: 1.290 HB3 :: 1.290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.348 Ave N Shift Values>> N :: 123.23(3.7) 1.S39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.85 S 0.14 C Shift Assignments>> C :: 180.125 CA :: 60.456 CB :: 67.333 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.055 HA :: 2.701(S) HB2 :: 3.530 HB3 :: 4.059 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 :: 110.809 Ave N Shift Values>> N :: 116.3(3.95) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.68 A 0.12 N 0.06 C 0.05 D 0.02 G 0.01 C Shift Assignments>> C :: 176.239 CA :: 49.251 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.061 HA2 :: 4.265 HA3 :: 3.925 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 120.304 Ave N Shift Values>> N :: 109.91(4.29) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 Y 0.15 C Shift Assignments>> C :: 178.447 CA :: 60.860 CB :: 39.965 CD1 :: 135.483 CD2 :: 135.483 CE1 :: 120.213 CE2 :: 120.213 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 :: 8.324 HA :: 4.666 HB2 :: 3.412 HB3 :: 2.628 HD1 :: 7.408 HD2 :: 7.408 HE1 :: 6.796 HE2 :: 6.796 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 :: 120.115 Ave N Shift Values>> N :: 120.79(4.69) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 S 0.13 C Shift Assignments>> C :: 176.805 CA :: 64.143 CB :: 65.978 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.560 HA :: 4.097 HB2 :: 3.951 HB3 :: 4.013 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 :: 115.953 Ave N Shift Values>> N :: 116.3(3.95) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.26 L 0.2 K 0.15 C 0.12 F 0.09 Y 0.07 D 0.05 G 0.02 I 0.01 C Shift Assignments>> C :: 178.763 CA :: 57.335 CB :: 42.782 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 :: 8.634 HA :: 4.744 HB2 :: 2.732 HB3 :: 2.840 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.245 Ave N Shift Values>> N :: 120.73(4.2) 1.M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 M 0.15 A 0.03 I 0.01 C Shift Assignments>> C :: 178.301 CA :: 58.357 CB :: 36.259 CG :: 34.447 CE :: 19.415 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 :: 7.961 HA :: 4.665 HB2 :: 2.135 HB3 :: 2.367 HG2 :: 2.636 HG3 :: 2.636 HE1 :: 2.070 HE2 :: 2.070 HE3 :: 2.070 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 :: 118.349 Ave N Shift Values>> N :: 120.1(3.88) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.26 HN Overlap>> 1.A36 1.A36 C Shift Assignments>> C :: 175.513 CA :: 63.958 CB :: 72.675 CG2 :: 23.431 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 :: 7.913 HA :: 4.570 HB :: 4.196 HG21 :: 1.289 HG22 :: 1.289 HG23 :: 1.289 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 :: 114.543 Ave N Shift Values>> N :: 115.7(5.05) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.27 C 0.13 G 0.1 F 0.05 D 0.04 K 0.04 Y 0.03 C Shift Assignments>> C :: 178.185 CA :: 56.350 CB :: 43.807 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 :: 8.499 HA :: 4.797 HB2 :: 2.698 HB3 :: 2.804 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.315 Ave N Shift Values>> N :: 120.73(4.2) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 S 0.38 C Shift Assignments>> C :: 177.580 CA :: 60.481 CB :: 66.712 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.278 HA :: 4.525 HB2 :: 3.819 HB3 :: 3.930 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 :: 115.875 Ave N Shift Values>> N :: 116.3(3.95) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.29 G 0.26 M 0.01 HN Overlap>> 1.I29 1.I29 C Shift Assignments>> C :: 179.359 CA :: 58.642 CB :: 34.767 CG :: 27.026 CD :: 31.176 CE :: 44.567 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 :: 8.998 HA :: 4.488 HB2 :: 1.853 HB3 :: 2.003 HG2 :: 1.528 HG3 :: 1.528 HD2 :: 1.750 HD3 :: 1.750 HE2 :: 3.068 HE3 :: 3.068 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 :: 125.529 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 M 0.2 C 0.12 K 0.09 A 0.05 V 0.03 T 0.02 C Shift Assignments>> C :: 179.705 CA :: 55.505 CB :: 22.448 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.407 HA :: 4.401 HB1 :: 1.414 HB2 :: 1.414 HB3 :: 1.414 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.099 Ave N Shift Values>> N :: 123.23(3.7) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.35 R 0.11 L 0.01 HN Overlap>> 1.K15 1.K15 C Shift Assignments>> C :: 177.375 CA :: 55.836 CB :: 45.411 CG :: 28.963 CD1 :: 28.573 CD2 :: 26.362 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 :: 7.677 HA :: 4.587 HB2 :: 1.266 HB3 :: 1.792 HG :: 1.602 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 HD21 :: 0.868 HD22 :: 0.868 HD23 :: 0.868 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 :: 118.766 Ave N Shift Values>> N :: 121.98(4.07) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.17 L 0.04 C Shift Assignments>> C :: 175.645 CA :: 46.968 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.968 HA2 :: 4.121 HA3 :: 4.490 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.024 Ave N Shift Values>> N :: 109.91(4.29) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.99 C Shift Assignments>> C :: 178.132 CA :: 67.049 CB :: 35.676 CG :: 29.591 CD :: 52.408 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 :: 4.447 HB2 :: 2.089 HB3 :: 2.439 HG2 :: 2.061 HG3 :: 2.220 HD2 :: 3.840 HD3 :: 3.888 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.M53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.27 A 0.22 C Shift Assignments>> C :: 179.674 CA :: 55.880 CB :: 33.535 CG :: 34.595 CE :: 18.582 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 :: 8.587 HA :: 5.006 HB2 :: 2.409 HB3 :: 2.092 HG2 :: 2.755 HG3 :: 2.437 HE1 :: 2.183 HE2 :: 2.183 HE3 :: 2.183 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 :: 113.276 Ave N Shift Values>> N :: 120.1(3.88) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 178.843 CA :: 65.943 CB :: 34.216 CG1 :: 24.009 CG2 :: 24.198 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 :: 7.240 HA :: 4.204 HB :: 2.196 HG11 :: 1.135 HG12 :: 1.135 HG13 :: 1.135 HG21 :: 1.195 HG22 :: 1.195 HG23 :: 1.195 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 :: 118.363 Ave N Shift Values>> N :: 121.02(4.96) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 C Shift Assignments>> C :: 176.773 CA :: 62.684 CB :: 37.707 CG1 :: 25.534 CG2 :: 24.226 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 :: 9.758 HA :: 5.003 HB :: 2.030 HG11 :: 1.002 HG12 :: 1.002 HG13 :: 1.002 HG21 :: 1.103 HG22 :: 1.103 HG23 :: 1.103 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 130.679 Ave N Shift Values>> N :: 121.02(4.96) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.26 P 0.08 A 0.04 L 0.02 N 0.01 C Shift Assignments>> C :: 172.285 CA :: 47.722 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.582 HA2 :: 5.113 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 :: 109.284 Ave N Shift Values>> N :: 109.91(4.29) 1.R57 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 G 0.44 C Shift Assignments>> C :: 178.856 CA :: 55.314 CB :: 35.824 CG :: 29.533 CD :: 46.013(A) 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 :: 8.767 HA :: 5.422 HB2 :: 1.587 HB3 :: 1.624 HG2 :: 1.536 HG3 :: 1.680 HD2 :: 3.215 HD3 :: 3.245 HE :: 7.291 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.924 NE :: 110.861 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.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.3 G 0.25 K 0.02 M 0.01 C Shift Assignments>> C :: 171.842 CA :: 57.706 CB :: 44.417 CG :: 29.793 CD1 :: 29.484 CD2 :: 25.837 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 :: 8.846 HA :: 4.995 HB2 :: 1.804 HB3 :: 2.416 HG :: 1.809 HD11 :: 1.221 HD12 :: 1.221 HD13 :: 1.221 HD21 :: 0.407 HD22 :: 0.407 HD23 :: 0.407 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 :: 126.175 Ave N Shift Values>> N :: 121.98(4.07) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.29 C Shift Assignments>> C :: 178.699 CA :: 67.906 CB :: 71.335 CG2 :: 24.921 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 :: 7.904 HA :: 4.018 HB :: 4.532 HG21 :: 1.318 HG22 :: 1.318 HG23 :: 1.318 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 :: 110.971 Ave N Shift Values>> N :: 115.7(5.05) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.34 G 0.22 C Shift Assignments>> C :: 178.995 CA :: 60.346 CB :: 35.199 CG :: 27.621 CD :: 31.383 CE :: 44.042 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 :: 7.958 HA :: 4.733 HB2 :: 1.980 HB3 :: 2.019 HG2 :: 1.565 HG3 :: 1.628 HD2 :: 1.524 HD3 :: 1.634 HE2 :: 2.831 HE3 :: 2.831 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.828 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.18 I 0.12 V 0.11 Y 0.07 K 0.05 M 0.05 Q 0.03 F 0.03 W 0.01 C Shift Assignments>> C :: 177.144 CA :: 60.199 CB :: 35.469 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.390 HA :: 4.823 HB2 :: 3.225 HB3 :: 2.955 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 :: 114.377 Ave N Shift Values>> N :: 119.95(4.79) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.88 T 0.11 C Shift Assignments>> C :: 175.488 CA :: 63.039 CB :: 64.618 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.720 HA :: 4.217 HB2 :: 4.065 HB3 :: 4.065 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.922 Ave N Shift Values>> N :: 116.3(3.95) 1.H63 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 W 0.29 H 0.04 C Shift Assignments>> C :: 175.206 CA :: 63.075 CB :: 33.428 CD2 :: 121.448 CE1 :: 140.531(A) 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 :: 7.797 HA :: 4.622 HB2 :: 3.287 HB3 :: 3.559 HD2 :: 7.402 HE1 :: 7.978 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 :: 123.069 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 K 0.19 C 0.16 M 0.04 R 0.04 A 0.01 Q 0.01 H 0.01 C Shift Assignments>> C :: 176.602 CA :: 52.613 CB :: 24.257 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.573 HA :: 5.409 HB1 :: 1.105 HB2 :: 1.105 HB3 :: 1.105 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.898 Ave N Shift Values>> N :: 123.23(3.7) 1.F65 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 G 0.32 C Shift Assignments>> C :: 179.253 CA :: 59.284 CB :: 48.106(S) CD1 :: 133.558 CD2 :: 133.558 CE1 :: 133.570(A) CE2 :: 133.570(A) CZ :: 132.107 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 :: 8.446 HA :: 5.126 HB2 :: 3.608 HB3 :: 2.267 HD1 :: 7.460 HD2 :: 7.460 HE1 :: 7.457 HE2 :: 7.457 HZ :: 7.478 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 :: 112.830 Ave N Shift Values>> N :: 120.69(4.18) 1.H66 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 W 0.29 H 0.08 C Shift Assignments>> C :: 180.760(A) CA :: 61.358 CB :: 32.841 CD2 :: 121.957 CE1 :: 141.456(A) 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 :: 8.193 HA :: 5.172 HB2 :: 4.492 HB3 :: 3.947 HD2 :: 7.199 HE1 :: 7.402 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 :: 118.881 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.35 K 0.2 G 0.05 C Shift Assignments>> C :: 181.335 CA :: 61.174 CB :: 42.784 CG :: 30.348 CD1 :: 28.571 CD2 :: 25.415 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 :: 9.217 HA :: 4.130 HB2 :: 1.455 HB3 :: 1.817 HG :: 1.632 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 0.826 HD22 :: 0.826 HD23 :: 0.826 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.370 Ave N Shift Values>> N :: 121.98(4.07) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 C 0.36 R 0.23 C Shift Assignments>> C :: 180.866 CA :: 59.773 CB :: 44.687 CG :: 29.387 CD1 :: 27.642 CD2 :: 26.541 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 :: 10.267 HA :: 4.095 HB2 :: 1.615 HB3 :: 1.703 HG :: 1.659 HD11 :: 0.939 HD12 :: 0.939 HD13 :: 0.939 HD21 :: 1.040 HD22 :: 1.040 HD23 :: 1.040 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.506 Ave N Shift Values>> N :: 121.98(4.07) 1.C69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.45 P 0.33 I 0.14 C 0.05 W 0.01 C Shift Assignments>> C :: 179.676 CA :: 65.790 CB :: 30.947 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.834 HA :: 4.019 HB2 :: 3.067 HB3 :: 3.567 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 :: 116.833 Ave N Shift Values>> N :: 119.95(4.79) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.33 R 0.1 L 0.01 C Shift Assignments>> C :: 180.628 CA :: 60.038 CB :: 45.145 CG :: 28.825 CD1 :: 28.242 CD2 :: 25.526 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 :: 7.412 HA :: 3.874 HB2 :: 1.354 HB3 :: 1.918 HG :: 1.488 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 0.433 HD22 :: 0.433 HD23 :: 0.433 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 :: 119.399 Ave N Shift Values>> N :: 121.98(4.07) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 G 0.34 R 0.28 C Shift Assignments>> C :: 180.237 CA :: 60.870 CB :: 44.230 CG :: 29.333 CD1 :: 28.875 CD2 :: 27.251 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 :: 8.314 HA :: 3.984 HB2 :: 1.452 HB3 :: 2.272 HG :: 1.726 HD11 :: 1.056 HD12 :: 1.056 HD13 :: 1.056 HD21 :: 0.908 HD22 :: 0.908 HD23 :: 0.908 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.304 Ave N Shift Values>> N :: 121.98(4.07) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 V 0.14 I 0.09 T 0.08 C 0.07 A 0.06 L 0.02 C Shift Assignments>> C :: 182.294 CA :: 57.625 CB :: 19.685 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.294 HA :: 3.880 HB1 :: 1.047 HB2 :: 1.047 HB3 :: 1.047 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.077 Ave N Shift Values>> N :: 123.23(3.7) 1.M73 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 M 0.1 I 0.01 C Shift Assignments>> C :: 182.069(A) CA :: 60.799 CB :: 35.501 CG :: 34.305 CE :: 20.289 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 :: 7.997 HA :: 4.084 HB2 :: 2.174 HB3 :: 2.253 HG2 :: 2.397 HG3 :: 2.715 HE1 :: 2.101 HE2 :: 2.101 HE3 :: 2.101 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 :: 117.329 Ave N Shift Values>> N :: 120.1(3.88) 1.Y74 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 Y 0.09 G 0.07 C Shift Assignments>> C :: 181.388(A) CA :: 64.036 CB :: 41.567 CD1 :: 135.406 CD2 :: 135.406 CE1 :: 120.688 CE2 :: 120.688 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 :: 8.857 HA :: 4.224 HB2 :: 3.294 HB3 :: 3.109 HD1 :: 7.218 HD2 :: 7.218 HE1 :: 6.996 HE2 :: 6.996 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.339 Ave N Shift Values>> N :: 120.79(4.69) 1.C75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 V 0.21 P 0.15 C 0.07 W 0.01 C Shift Assignments>> C :: 176.668 CA :: 65.642 CB :: 29.188 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.870 HA :: 3.992 HB2 :: 3.064 HB3 :: 3.183 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 :: 116.000 Ave N Shift Values>> N :: 119.95(4.79) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.2 K 0.19 D 0.17 C 0.11 F 0.1 Y 0.08 R 0.07 N 0.03 C Shift Assignments>> C :: 177.910 CA :: 55.657 CB :: 41.535 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 :: 7.527 HA :: 4.905 HB2 :: 2.998 HB3 :: 2.831 HD21 :: 7.627 HD22 :: 6.932 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 :: 117.211 ND2 :: 112.401 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.16 L 0.04 C Shift Assignments>> C :: 175.768 CA :: 46.876 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.254 HA2 :: 3.914 HA3 :: 4.495 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.646 Ave N Shift Values>> N :: 109.91(4.29) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 D 0.18 Y 0.17 C 0.15 L 0.12 K 0.07 N 0.06 I 0.02 C Shift Assignments>> C :: 178.215 CA :: 56.126 CB :: 40.251 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 :: 8.457 HA :: 4.462 HB2 :: 2.823 HB3 :: 2.823 HD21 :: 6.852 HD22 :: 7.600 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 :: 119.149 ND2 :: 111.810 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.36 G 0.16 M 0.02 K 0.01 C Shift Assignments>> C :: 178.520 CA :: 58.989 CB :: 31.407 CG :: 26.297 CD :: 31.706 CE :: 43.990 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 :: 9.204 HA :: 3.423 HB2 :: 1.819 HB3 :: 1.964 HG2 :: 1.048 HG3 :: 1.211 HD2 :: 1.774 HD3 :: 1.882 HE2 :: 3.126 HE3 :: 3.126 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 :: 119.399 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.27 C 0.12 G 0.09 D 0.07 K 0.05 F 0.04 Y 0.03 HN Overlap>> 1.R14 1.R14 C Shift Assignments>> C :: 179.868 CA :: 55.465 CB :: 43.669 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 :: 8.059 HA :: 4.743 HB2 :: 3.249 HB3 :: 2.415 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 :: 118.041 Ave N Shift Values>> N :: 120.73(4.2) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.26 P 0.09 A 0.05 L 0.02 N 0.02 C Shift Assignments>> C :: 175.289 CA :: 47.765 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.530 HA2 :: 4.592 HA3 :: 3.833 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.598 Ave N Shift Values>> N :: 109.91(4.29) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 175.200 CA :: 59.432 CB :: 68.778 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.622 HA :: 5.370 HB2 :: 3.777 HB3 :: 3.898 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 :: 117.835 Ave N Shift Values>> N :: 116.3(3.95) 1.L83 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 G 0.01 HN Overlap>> 1.K34 1.K34 C Shift Assignments>> C :: 176.186 CA :: 56.501 CB :: 48.813(S) CG :: 29.364 CD1 :: 29.007 CD2 :: 27.544 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 :: 8.870 HA :: 4.844 HB2 :: 1.382 HB3 :: 1.645 HG :: 1.480 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 HD21 :: 0.855 HD22 :: 0.855 HD23 :: 0.855 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.228 Ave N Shift Values>> N :: 121.98(4.07) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 M 0.19 E 0.13 C Shift Assignments>> C :: 177.223 CA :: 55.541 CB :: 33.773 CG :: 36.471 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 :: 8.593 HA :: 5.268 HB2 :: 1.991 HB3 :: 1.754 HG2 :: 2.015 HG3 :: 2.015 HE21 :: 7.160 HE22 :: 7.514 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.738 NE2 :: 113.238 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 V 0.14 Q 0.12 K 0.12 M 0.09 E 0.09 W 0.04 R 0.02 I 0.02 Y 0.02 H 0.01 C Shift Assignments>> C :: 178.431 CA :: 59.469 CB :: 34.168 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.128 HA :: 4.294 HB2 :: 3.136 HB3 :: 3.488 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 :: 128.763 Ave N Shift Values>> N :: 119.95(4.79) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.97 P 0.01 C Shift Assignments>> C :: 179.621 CA :: 66.534 CB :: 34.408 CG :: 29.650 CD :: 52.435 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 :: 4.523 HB2 :: 1.924 HB3 :: 2.373 HG2 :: 1.662 HG3 :: 1.725 HD2 :: 3.663 HD3 :: 3.746 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.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.66 T 0.33 C Shift Assignments>> C :: 177.493 CA :: 62.907 CB :: 65.321 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.247 HA :: 4.498 HB2 :: 3.315 HB3 :: 3.444 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 :: 116.982 Ave N Shift Values>> N :: 116.3(3.95) 1.C88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 V 0.15 E 0.15 I 0.1 Y 0.06 K 0.05 M 0.05 Q 0.04 F 0.02 W 0.01 C Shift Assignments>> C :: 178.066 CA :: 60.439 CB :: 35.156 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.348 HA :: 5.133 HB2 :: 2.935 HB3 :: 3.613 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 :: 118.186 Ave N Shift Values>> N :: 119.95(4.79) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 C 0.37 R 0.21 C Shift Assignments>> C :: 178.122 CA :: 60.165 CB :: 30.996 CG :: 27.556 CD :: 30.682 CE :: 44.816 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 :: 8.216 HA :: 4.157 HB2 :: 2.360 HB3 :: 2.059 HG2 :: 1.259 HG3 :: 1.463 HD2 :: 1.570 HD3 :: 1.674 HE2 :: 2.997 HE3 :: 2.997 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.009 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T90 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 :: 175.220 CA :: 68.296 CB :: 71.343 CG2 :: 23.496 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 :: 8.254 HA :: 4.069 HB :: 4.141 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.577 Ave N Shift Values>> N :: 115.7(5.05) 1.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.38 V 0.03 G 0.01 C Shift Assignments>> C :: 176.834 CA :: 63.395 CB :: 41.461 CG1 :: 30.855 CG2 :: 20.204 CD1 :: 15.389 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 :: 8.564 HA :: 4.465 HB :: 1.723 HG12 :: 1.007 HG13 :: 1.817 HG21 :: 0.820 HG22 :: 0.820 HG23 :: 0.820 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 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 :: 127.950 Ave N Shift Values>> N :: 121.6(4.72) 1.Y92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.93 Y 0.06 C Shift Assignments>> C :: 177.098 CA :: 59.505 CB :: 39.920 CD1 :: 135.920 CD2 :: 135.920 CE1 :: 120.295 CE2 :: 120.295 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 :: 9.266 HA :: 4.075 HB2 :: 2.432 HB3 :: 1.288(S) HD1 :: 7.192 HD2 :: 7.192 HE1 :: 6.839 HE2 :: 6.839 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 :: 129.317 Ave N Shift Values>> N :: 120.79(4.69) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.26 P 0.08 A 0.04 L 0.02 N 0.01 C Shift Assignments>> C :: 176.152 CA :: 47.724 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.296 HA2 :: 3.964 HA3 :: 4.320 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.035 Ave N Shift Values>> N :: 109.91(4.29) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.21 E 0.18 M 0.02 C Shift Assignments>> C :: 178.505 CA :: 58.523 CB :: 31.068 CG :: 38.722 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 :: 8.226 HA :: 4.583 HB2 :: 2.300 HB3 :: 2.032 HG2 :: 2.292 HG3 :: 2.292 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 :: 119.764 Ave N Shift Values>> N :: 120.68(3.68) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.3 G 0.25 M 0.02 C Shift Assignments>> C :: 179.306 CA :: 58.510 CB :: 33.139 CG :: 27.070 CD :: 31.497 CE :: 44.511 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 :: 8.608 HA :: 4.357 HB2 :: 1.954 HB3 :: 2.057 HG2 :: 1.573 HG3 :: 1.479 HD2 :: 1.793 HD3 :: 1.793 HE2 :: 3.024 HE3 :: 3.024 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.952 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.28 C Shift Assignments>> C :: 177.488 CA :: 64.429 CB :: 72.257 CG2 :: 23.954 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 :: 8.381 HA :: 4.435 HB :: 4.312 HG21 :: 1.290 HG22 :: 1.290 HG23 :: 1.290 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 :: 116.670 Ave N Shift Values>> N :: 115.7(5.05) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 C 0.26 P 0.06 A 0.04 L 0.02 N 0.01 C Shift Assignments>> C :: 176.648 CA :: 47.646 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.586 HA2 :: 4.124 HA3 :: 4.124 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.568 Ave N Shift Values>> N :: 109.91(4.29) 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 C 0.3 C Shift Assignments>> C :: 176.773 CA :: 64.140 CB :: 72.140 CG2 :: 24.005 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 :: 8.167 HA :: 4.404 HB :: 4.271 HG21 :: 1.255 HG22 :: 1.255 HG23 :: 1.255 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 :: 113.831 Ave N Shift Values>> N :: 115.7(5.05) 1.Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.31 M 0.18 Q 0.09 K 0.07 I 0.01 C Shift Assignments>> C :: 176.521 CA :: 55.984 CB :: 30.851 CG :: 35.677 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 :: 8.462 HA :: 4.640 HB2 :: 1.854 HB3 :: 1.940 HG2 :: 2.385 HG3 :: 2.385 HE21 :: 7.527 HE22 :: 6.914 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 :: 123.974 NE2 :: 112.711 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.95 S 0.03 P 0.01 C Shift Assignments>> CA :: 65.703 CB :: 34.141 CG :: 29.560 CD :: 52.864 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 :: 4.457 HB2 :: 1.888 HB3 :: 2.269 HG2 :: 1.985 HG3 :: 2.013 HD2 :: 3.588 HD3 :: 3.794 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.W101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 H 0.18 C Shift Assignments>> C :: 179.160 CA :: 59.653 CB :: 31.788 CD1 :: 129.665 CE3 :: 123.245 CZ2 :: 116.956 CZ3 :: 124.417 CH2 :: 127.007 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.073 HA :: 4.729 HB2 :: 3.382 HB3 :: 3.382 HD1 :: 7.352 HE1 :: 10.231 HE3 :: 7.718 HZ2 :: 7.580 HZ3 :: 7.239 HH2 :: 7.308 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 :: 120.782 NE1 :: 129.996 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 C 0.26 P 0.08 A 0.05 L 0.02 N 0.02 C Shift Assignments>> C :: 176.093 CA :: 47.746 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.232 HA2 :: 4.313 HA3 :: 3.927 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.915 Ave N Shift Values>> N :: 109.91(4.29) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.32 G 0.23 M 0.02 C Shift Assignments>> C :: 178.843 CA :: 58.515 CB :: 33.134 CG :: 26.936 CD :: 31.161 CE :: 44.426 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 :: 8.091 HA :: 4.362 HB2 :: 1.953 HB3 :: 2.057 HG2 :: 1.445 HG3 :: 1.445 HD2 :: 1.727 HD3 :: 1.727 HE2 :: 3.068 HE3 :: 3.068 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 :: 121.048 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.25 A 0.05 C Shift Assignments>> C :: 178.404 CA :: 57.747 CB :: 35.218 CG :: 34.296 CE :: 19.261 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 :: 8.431 HA :: 4.540 HB2 :: 2.065 HB3 :: 2.143 HG2 :: 2.571 HG3 :: 2.652 HE1 :: 2.148 HE2 :: 2.148 HE3 :: 2.148 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 :: 121.828 Ave N Shift Values>> N :: 120.1(3.88) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 E 0.1 I 0.08 M 0.03 C Shift Assignments>> C :: 178.479 CA :: 58.769 CB :: 32.987 CG :: 38.512 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 :: 8.471 HA :: 4.346 HB2 :: 1.954 HB3 :: 2.056 HG2 :: 2.290 HG3 :: 2.290 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 :: 123.160 Ave N Shift Values>> N :: 120.68(3.68) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 178.063 CA :: 64.594 CB :: 35.310 CG1 :: 22.608 CG2 :: 23.374 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 :: 8.143 HA :: 4.114 HB :: 2.048 HG11 :: 0.932 HG12 :: 0.932 HG13 :: 0.932 HG21 :: 0.896 HG22 :: 0.896 HG23 :: 0.896 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.245 Ave N Shift Values>> N :: 121.02(4.96) 1.F107 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 G 0.03 F 0.01 C Shift Assignments>> C :: 177.765 CA :: 60.058 CB :: 41.830 CD1 :: 134.014(A) CD2 :: 134.014 CE1 :: 133.886(A) CE2 :: 133.886(A) CZ :: 132.140 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 :: 8.357 HA :: 4.713 HB2 :: 3.095 HB3 :: 3.179 HD1 :: 7.317 HD2 :: 7.317 HE1 :: 7.392 HE2 :: 7.392 HZ :: 7.335 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 :: 124.389 Ave N Shift Values>> N :: 120.69(4.18) 1.R108 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.44 R 0.03 C Shift Assignments>> C :: 177.982 CA :: 58.232 CB :: 33.567 CG :: 28.651 CD :: 45.639(A) 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 :: 8.244 HA :: 4.023 HB2 :: 1.826 HB3 :: 1.826 HG2 :: 1.738 HG3 :: 1.738 HD2 :: 3.231 HD3 :: 3.299 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 :: 123.995 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.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.57 T 0.42 C Shift Assignments>> C :: 176.801 CA :: 60.574 CB :: 66.339 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.349 HA :: 4.509 HB2 :: 3.917 HB3 :: 3.917 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 :: 117.678 Ave N Shift Values>> N :: 116.3(3.95) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 174.080 CA :: 47.215 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.313 HA2 :: 4.219 HA3 :: 4.219 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.083 Ave N Shift Values>> N :: 109.91(4.29) 1.P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.94 P 0.04 S 0.01 C Shift Assignments>> CA :: 65.870 CB :: 34.562 CG :: 29.415 CD :: 52.086 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 :: 4.549 HB2 :: 2.360 HB3 :: 2.052 HG2 :: 2.097 HG3 :: 2.097 HD2 :: 3.708 HD3 :: 3.742 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.S112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 99 #Clerical: 0 #Suspicious: 2 #Anomalous: 9 #Mistyped: 4 #Indeterminable: 0 Typing Results: #Consistent: 102 #Suspicious: 0 #Mistyped: 4 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 114 #Suspicious: 0 C Shift Results: #Consistent: 447 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 15 H Shift Results: #Consistent: 731 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 107 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P9 Typing: Mistyped 1.P9 CA = 68.708(A), Expected = 63.30, Std = 1.6400, ChiSquare = 9.7528e-04 1.R14 CD = 46.050(A), Expected = 43.10, Std = 1.1000, ChiSquare = 7.3223e-03 1.T17 Typing: Mistyped 1.T17 CB = 76.332(S), Expected = 69.64, Std = 1.7000, ChiSquare = 8.2689e-05 1.L35 CD1 = 29.736(A), Expected = 24.73, Std = 1.7100, ChiSquare = 3.4172e-03 1.S39 HA = 2.701(S), Expected = 4.51, Std = 0.4300, ChiSquare = 2.5881e-05 1.R57 CD = 46.013(A), Expected = 43.10, Std = 1.1000, ChiSquare = 8.0926e-03 1.H63 CE1 = 140.531(A), Expected = 136.05, Std = 3.5800, ChiSquare = 2.1069e-01 1.F65 Typing: Mistyped 1.F65 CB = 48.106(S), Expected = 39.95, Std = 2.0400, ChiSquare = 6.3869e-05 1.F65 CE1 = 133.570(A), Expected = 130.48, Std = 1.2900, ChiSquare = 1.6605e-02 1.F65 CE2 = 133.570(A), Expected = 130.60, Std = 0.9700, ChiSquare = 2.1997e-03 1.H66 C = 180.760(A), Expected = 175.19, Std = 2.1400, ChiSquare = 9.2465e-03 1.H66 CE1 = 141.456(A), Expected = 136.05, Std = 3.5800, ChiSquare = 1.3103e-01 1.M73 C = 182.069(A), Expected = 176.30, Std = 2.1300, ChiSquare = 6.7598e-03 1.Y74 C = 181.388(A), Expected = 175.39, Std = 1.8900, ChiSquare = 1.5059e-03 1.L83 Typing: Mistyped 1.L83 CB = 48.813(S), Expected = 42.37, Std = 1.8600, ChiSquare = 5.3225e-04 1.Y92 HB3 = 1.288(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.1664e-05 1.F107 CD1 = 134.014(A), Expected = 131.38, Std = 1.3800, ChiSquare = 5.6301e-02 1.F107 CE1 = 133.886(A), Expected = 130.48, Std = 1.2900, ChiSquare = 8.2830e-03 1.F107 CE2 = 133.886(A), Expected = 130.60, Std = 0.9700, ChiSquare = 7.0500e-04 1.R108 CD = 45.639(A), Expected = 43.10, Std = 1.1000, ChiSquare = 2.0989e-02