Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.07 C 0.04 L 0.03 C Shift Assignments>> C :: 178.143 CA :: 53.413 CB :: 20.083 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.524 HA :: 4.380 HB1 :: 1.457 HB2 :: 1.457 HB3 :: 1.457 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.481 Ave N Shift Values>> N :: 123.23(3.54) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.4 M 0.08 I 0.04 K 0.02 Q 0.01 C Shift Assignments>> C :: 176.310 CA :: 57.483 CB :: 30.659 CG :: 36.950 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.276 HA :: 4.406 HB2 :: 2.195 HB3 :: 2.195 HG2 :: 2.645 HG3 :: 2.645 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.931 Ave N Shift Values>> N :: 120.67(3.48) 1.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.49 R 0.28 G 0.18 K 0.04 C Shift Assignments>> C :: 176.174 CA :: 57.220 CB :: 32.962 CG :: 27.910 CD :: 44.107 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> HA :: 4.389 HB2 :: 2.021 HB3 :: 2.021 HG2 :: 1.629 HG3 :: 1.629 HD2 :: 3.250 HD3 :: 3.250 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 176.912 CA :: 63.000 CB :: 33.253 CG1 :: 21.748 CG2 :: 20.442 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.278 HA :: 4.347 HB :: 2.174 HG11 :: 0.990 HG12 :: 0.990 HG13 :: 0.990 HG21 :: 0.990 HG22 :: 0.990 HG23 :: 0.990 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.923 Ave N Shift Values>> N :: 121.14(4.54) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T140 1.T140 C Shift Assignments>> C :: 176.930 CA :: 59.301 CB :: 64.826 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.457 HA :: 4.562 HB2 :: 3.933 HB3 :: 3.933 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.842 Ave N Shift Values>> N :: 116.28(3.52) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.37 M 0.11 Q 0.03 K 0.03 I 0.03 C Shift Assignments>> C :: 176.921 CA :: 57.425 CB :: 30.625 CG :: 36.418 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.496 HA :: 4.406 HB2 :: 2.110 HB3 :: 2.110 HG2 :: 2.276 HG3 :: 2.398 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.475 Ave N Shift Values>> N :: 120.67(3.48) 1.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.43 A 0.1 C Shift Assignments>> C :: 176.481 CA :: 56.367 CB :: 34.335 CG :: 32.890 CE :: 17.750 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.334 HA :: 4.584 HB2 :: 2.136 HB3 :: 2.136 HG2 :: 2.657 HG3 :: 2.657 HE1 :: 1.980 HE2 :: 1.980 HE3 :: 1.980 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.110 Ave N Shift Values>> N :: 120.09(3.57) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 K 0.19 D 0.18 R 0.12 F 0.08 Y 0.05 C 0.04 N 0.02 C Shift Assignments>> C :: 176.052 CA :: 55.275 CB :: 42.204 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.335 HA :: 4.735 HB2 :: 2.664 HB3 :: 2.664 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.388 Ave N Shift Values>> N :: 120.65(3.86) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 175.704 CA :: 62.186 CB :: 40.021 CG1 :: 26.936 CG2 :: 18.395 CD1 :: 14.006 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.038 HA :: 4.248 HB :: 1.809 HG12 :: 1.110 HG13 :: 1.110 HG21 :: 0.840 HG22 :: 0.840 HG23 :: 0.840 HD11 :: 0.848 HD12 :: 0.848 HD13 :: 0.848 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.220 Ave N Shift Values>> N :: 121.46(4.28) 1.Y12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.21 Y 0.16 L 0.14 C 0.08 D 0.07 R 0.03 I 0.03 C Shift Assignments>> C :: 175.736 CA :: 57.810 CB :: 41.463 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.216 HA :: 5.006 HB2 :: 2.845 HB3 :: 2.845 HD1 :: 7.106 HD2 :: 7.106 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.149 Ave N Shift Values>> N :: 120.52(4.2) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 M 0.35 E 0.19 Q 0.03 C Shift Assignments>> C :: 176.008 CA :: 55.214 CB :: 32.725 CG :: 35.819 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.697 HA :: 4.582 HB2 :: 2.000 HB3 :: 2.000 HG2 :: 2.222 HG3 :: 2.222 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.149 Ave N Shift Values>> N :: 120.67(3.48) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.25 Y 0.2 K 0.15 L 0.12 C 0.1 D 0.08 I 0.05 R 0.01 C Shift Assignments>> C :: 178.321 CA :: 57.885 CB :: 41.027 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> HA :: 5.003 HB2 :: 2.824 HB3 :: 2.824 HD1 :: 7.080 HD2 :: 7.080 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.39 M 0.1 I 0.03 K 0.01 Q 0.01 C Shift Assignments>> C :: 179.350 CA :: 57.656 CB :: 30.946 CG :: 36.884 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.625 HA :: 4.342 HB2 :: 1.754 HB3 :: 1.994 HG2 :: 2.235 HG3 :: 2.235 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.832 Ave N Shift Values>> N :: 120.67(3.48) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.W94 1.F60 1.W94 1.F60 C Shift Assignments>> C :: 176.971 CA :: 62.481 CB :: 64.073 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.268 HA :: 4.278 HB2 :: 4.138 HB3 :: 4.138 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.490 Ave N Shift Values>> N :: 116.28(3.52) 1.W17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.16 E 0.14 R 0.11 H 0.1 Q 0.09 K 0.09 I 0.05 M 0.03 V 0.02 C Shift Assignments>> C :: 178.321 CA :: 58.906 CB :: 29.840 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.967 HA :: 4.769 HB2 :: 3.348 HB3 :: 3.348 HD1 :: 7.392 HE1 :: 10.311 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 116.331 NE1 :: 129.728 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 179.855 CA :: 67.569 CB :: 31.716 CG1 :: 21.033 CG2 :: 22.542 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.896 HA :: 3.049 HB :: 1.803 HG11 :: 0.455 HG12 :: 0.455 HG13 :: 0.455 HG21 :: 0.222 HG22 :: 0.222 HG23 :: 0.222 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.413 Ave N Shift Values>> N :: 121.14(4.54) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 177.992 CA :: 62.884 CB :: 64.565 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.718 HA :: 4.121 HB2 :: 4.012 HB3 :: 4.012 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.239 Ave N Shift Values>> N :: 116.28(3.52) 1.C20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 F 0.17 K 0.16 Y 0.11 L 0.11 C 0.1 I 0.03 G 0.02 D 0.02 C Shift Assignments>> C :: 174.628 CA :: 59.117 CB :: 42.757 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.267 HA :: 4.399 HB2 :: 3.482 HB3 :: 2.427 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.760 Ave N Shift Values>> N :: 120.17(4.64) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.4 L 0.08 G 0.03 K 0.01 C Shift Assignments>> C :: 176.769 CA :: 52.808 CB :: 42.271 CG :: 29.787 CD1 :: 25.941 CD2 :: 25.945 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.325 HA :: 4.575 HB2 :: 2.300 HB3 :: 1.936 HG :: 1.750 HD11 :: 1.190 HD12 :: 1.190 HD13 :: 1.190 HD21 :: 1.148 HD22 :: 1.148 HD23 :: 1.148 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.267 Ave N Shift Values>> N :: 121.86(3.9) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.29 K 0.11 R 0.09 N 0.06 F 0.04 C 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 177.714 CA :: 53.106 CB :: 42.272 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.178 HA :: 4.773 HB2 :: 2.985 HB3 :: 2.985 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.716 Ave N Shift Values>> N :: 120.65(3.86) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> CA :: 62.400 CB :: 31.438 CG :: 26.544 CD :: 50.182 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.976 HB2 :: 2.002 HB3 :: 2.002 HG2 :: 1.053 HG3 :: 1.053 HD2 :: 2.782 HD3 :: 2.782 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.48 E 0.35 M 0.07 I 0.06 C Shift Assignments>> CA :: 58.524 CB :: 30.999 CG :: 37.124 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> HA :: 4.163 HB2 :: 2.180 HB3 :: 2.180 HG2 :: 2.350 HG3 :: 2.350 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.26 K 0.19 E 0.14 M 0.08 I 0.01 C Shift Assignments>> C :: 176.963 CA :: 57.727 CB :: 29.917 CG :: 34.284 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.747 HA :: 4.176 HB2 :: 2.148 HB3 :: 2.148 HG2 :: 2.245 HG3 :: 2.245 HE21 :: 7.432 HE22 :: 6.925 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.901 NE2 :: 111.281 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 176.833 CA :: 62.194 CB :: 34.000 CG1 :: 22.399 CG2 :: 21.920 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.762 HA :: 4.624 HB :: 2.030 HG11 :: 0.599 HG12 :: 0.599 HG13 :: 0.599 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.351 Ave N Shift Values>> N :: 121.14(4.54) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 HN Overlap>> 1.N138 1.N138 C Shift Assignments>> C :: 174.572 CA :: 61.149 CB :: 71.535 CG2 :: 22.189 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.733 HA :: 4.699 HB :: 3.997 HG21 :: 1.207 HG22 :: 1.207 HG23 :: 1.207 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.694 Ave N Shift Values>> N :: 115.42(4.75) 1.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.28 G 0.14 C 0.07 F 0.07 D 0.04 Y 0.04 K 0.01 C Shift Assignments>> C :: 174.739 CA :: 56.803 CB :: 43.968 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.122 HA :: 4.825 HB2 :: 3.458 HB3 :: 2.994 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 125.380 Ave N Shift Values>> N :: 120.17(4.64) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.37 M 0.08 I 0.06 K 0.01 Q 0.01 C Shift Assignments>> C :: 176.908 CA :: 58.475 CB :: 30.869 CG :: 36.891 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.449 HA :: 4.214 HB2 :: 2.164 HB3 :: 2.136 HG2 :: 2.298 HG3 :: 2.362 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.271 Ave N Shift Values>> N :: 120.67(3.48) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.962 CA :: 56.289 CB :: 64.799 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.953 HA :: 4.877 HB2 :: 3.753 HB3 :: 3.753 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.997 Ave N Shift Values>> N :: 116.28(3.52) 1.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.25 E 0.15 K 0.15 M 0.15 C Shift Assignments>> C :: 176.268 CA :: 56.608 CB :: 30.277 CG :: 34.385 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.068 HA :: 4.462 HB2 :: 2.059 HB3 :: 2.059 HG2 :: 2.433 HG3 :: 2.433 HE21 :: 7.577 HE22 :: 6.863 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.052 NE2 :: 112.972 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.36 M 0.16 I 0.01 C Shift Assignments>> C :: 176.991 CA :: 56.322 CB :: 31.368 CG :: 37.043 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.163 HA :: 4.445 HB2 :: 2.151 HB3 :: 1.862 HG2 :: 2.255 HG3 :: 2.255 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.207 Ave N Shift Values>> N :: 120.67(3.48) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.488 CA :: 45.572 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.195 HA2 :: 4.061 HA3 :: 4.271 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.528 Ave N Shift Values>> N :: 109.67(3.87) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 T 0.11 C Shift Assignments>> C :: 174.016 CA :: 61.053 CB :: 74.406 CG2 :: 22.632 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.419 HA :: 5.339 HB :: 4.305 HG21 :: 1.155 HG22 :: 1.155 HG23 :: 1.155 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.450 Ave N Shift Values>> N :: 115.42(4.75) 1.H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 R 0.14 H 0.14 C 0.13 K 0.13 W 0.09 E 0.08 Q 0.06 C Shift Assignments>> C :: 172.098 CA :: 55.307 CB :: 31.696 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.077 HA :: 5.117 HB2 :: 3.659 HB3 :: 3.385 HD2 :: 7.260 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 114.095 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.51 A 0.24 C 0.17 K 0.05 C Shift Assignments>> C :: 177.213 CA :: 50.906 CB :: 23.252 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.326 HA :: 5.800(S) HB1 :: 1.317 HB2 :: 1.317 HB3 :: 1.317 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.247 Ave N Shift Values>> N :: 123.23(3.54) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.238 CA :: 59.701 CB :: 68.594 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.100 HA :: 4.931 HB2 :: 3.711 HB3 :: 4.151 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.207 Ave N Shift Values>> N :: 116.28(3.52) 1.Y38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.27 F 0.27 Y 0.23 C 0.14 K 0.03 L 0.01 C Shift Assignments>> C :: 175.773 CA :: 60.669 CB :: 40.611 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 11.132(S) HA :: 4.538 HB2 :: 3.514 HB3 :: 3.514 HD1 :: 7.118 HD2 :: 7.118 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 129.811 Ave N Shift Values>> N :: 120.52(4.2) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.17 C 0.08 F 0.05 Y 0.05 L 0.04 C Shift Assignments>> C :: 176.443 CA :: 52.466 CB :: 38.879 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.229 HA :: 4.890 HB2 :: 2.437 HB3 :: 2.437 HD21 :: 8.330 HD22 :: 7.049 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 127.143 ND2 :: 113.723 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.35 K 0.17 G 0.03 C Shift Assignments>> C :: 175.935 CA :: 58.619 CB :: 30.123 CG :: 25.945 CD :: 42.949 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.035 HA :: 3.858 HB2 :: 2.072 HB3 :: 2.072 HG2 :: 1.145 HG3 :: 1.145 HD2 :: 3.536 HD3 :: 3.536 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.068 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.35 K 0.17 G 0.03 C Shift Assignments>> C :: 177.936 CA :: 58.860 CB :: 33.983 CG :: 26.518 CD :: 29.339 CE :: 43.008 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.508 HA :: 4.217 HB2 :: 1.969 HB3 :: 1.969 HG2 :: 1.510 HG3 :: 1.510 HD2 :: 1.752 HD3 :: 1.752 HE2 :: 3.123 HE3 :: 3.123 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.487 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T42 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 :: 177.797 CA :: 61.454 CB :: 70.814 CG2 :: 22.115 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.064 HA :: 4.553 HB :: 4.315 HG21 :: 1.138 HG22 :: 1.138 HG23 :: 1.138 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 104.707 Ave N Shift Values>> N :: 115.42(4.75) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.06 L 0.04 A 0.01 C Shift Assignments>> C :: 172.876 CA :: 47.116 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.563 HA2 :: 3.797 HA3 :: 4.005 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.530 Ave N Shift Values>> N :: 109.67(3.87) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.24 E 0.1 C Shift Assignments>> C :: 176.574 CA :: 54.382 CB :: 33.807 CG :: 36.225 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.244 HA :: 4.977 HB2 :: 2.255 HB3 :: 2.255 HG2 :: 1.879 HG3 :: 1.879 HE21 :: 7.548 HE22 :: 6.931 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.270 NE2 :: 111.389 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.46 C 0.38 G 0.13 HN Overlap>> 1.E46 1.E46 C Shift Assignments>> C :: 176.483 CA :: 59.815 CB :: 48.928 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.115 HA :: 5.203 HB2 :: 3.549 HB3 :: 2.569 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.831 Ave N Shift Values>> N :: 120.17(4.64) 1.E46 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.38 Q 0.1 HN Overlap>> 1.C45 1.C45 C Shift Assignments>> C :: 175.704 CA :: 54.344 CB :: 34.366 CG :: 32.945 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.154 HA :: 4.658 HB2 :: 2.073 HB3 :: 2.073 HG2 :: 2.591 HG3 :: 2.591 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.776 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CG > CB : 0.9917) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.45 M 0.27 E 0.26 Q 0.01 C Shift Assignments>> C :: 176.689 CA :: 55.095 CB :: 32.308 CG :: 36.732 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> HA :: 4.791 HB2 :: 2.050 HB3 :: 2.050 HG2 :: 2.263 HG3 :: 2.263 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 M 0.22 K 0.22 E 0.06 R 0.05 H 0.05 V 0.04 W 0.03 Y 0.01 C Shift Assignments>> C :: 175.051 CA :: 57.283 CB :: 34.008 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.989 HA :: 4.693 HB2 :: 2.073 HB3 :: 2.073 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.363 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.32 K 0.22 G 0.03 C Shift Assignments>> C :: 178.131 CA :: 58.333 CB :: 33.710 CG :: 25.863 CD :: 30.080 CE :: 42.982 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.610 HA :: 4.368 HB2 :: 2.007 HB3 :: 2.007 HG2 :: 1.360 HG3 :: 1.360 HD2 :: 1.708 HD3 :: 1.708 HE2 :: 3.067 HE3 :: 3.067 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.971 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 178.237 CA :: 45.226 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.200 HA2 :: 4.048 HA3 :: 4.660 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.664 Ave N Shift Values>> N :: 109.67(3.87) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 T 0.18 C Shift Assignments>> C :: 174.350 CA :: 61.581 CB :: 73.270 CG2 :: 23.523 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.721 HA :: 4.775 HB :: 4.335 HG21 :: 1.387 HG22 :: 1.387 HG23 :: 1.387 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.024 Ave N Shift Values>> N :: 115.42(4.75) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.29 I 0.2 K 0.05 Q 0.02 C Shift Assignments>> C :: 177.825 CA :: 57.795 CB :: 27.707 CG :: 36.649 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.689 HA :: 4.011 HB2 :: 2.210 HB3 :: 2.210 HG2 :: 2.349 HG3 :: 2.349 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.050 Ave N Shift Values>> N :: 120.67(3.48) 1.C53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 C 0.06 R 0.02 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.072 CA :: 56.691 CB :: 45.488 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.167 HA :: 5.099 HB2 :: 1.949 HB3 :: 1.949 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.236 Ave N Shift Values>> N :: 120.17(4.64) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 172.015 CA :: 45.359 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.474 HA2 :: 3.805 HA3 :: 4.079 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.234 Ave N Shift Values>> N :: 109.67(3.87) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 175.490 CA :: 46.023 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.391 HA2 :: 4.743 HA3 :: 3.546 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.026 Ave N Shift Values>> N :: 109.67(3.87) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 172.904 CA :: 45.989 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.004 HA2 :: 3.609 HA3 :: 3.609 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.207 Ave N Shift Values>> N :: 109.67(3.87) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.4 M 0.09 I 0.04 K 0.02 Q 0.02 C Shift Assignments>> C :: 178.377 CA :: 57.500 CB :: 30.625 CG :: 36.718 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.033 HA :: 4.294 HB2 :: 2.117 HB3 :: 2.117 HG2 :: 2.321 HG3 :: 2.321 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.431 Ave N Shift Values>> N :: 120.67(3.48) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.19 E 0.09 M 0.07 Y 0.06 F 0.04 D 0.03 K 0.01 C Shift Assignments>> C :: 176.296 CA :: 53.234 CB :: 36.961 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.546 HA :: 4.916 HB2 :: 3.341 HB3 :: 3.082 HD21 :: 8.401 HD22 :: 7.723 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.453 ND2 :: 109.506 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.15 Q 0.14 W 0.12 E 0.12 C 0.11 K 0.08 M 0.07 C Shift Assignments>> C :: 171.014 CA :: 55.573 CB :: 30.148 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.695 HA :: 5.112 HB2 :: 3.041 HB3 :: 2.493 HD2 :: 7.294 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.525 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.28 G 0.2 C 0.07 F 0.06 D 0.04 Y 0.03 K 0.01 HN Overlap>> 1.S16 1.S16 C Shift Assignments>> C :: 177.547 CA :: 56.765 CB :: 44.158 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.334 HA :: 4.826 HB2 :: 3.209 HB3 :: 2.605 HD1 :: 7.138 HD2 :: 7.138 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.402 Ave N Shift Values>> N :: 120.45(4.18) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 E 0.16 I 0.11 M 0.03 C Shift Assignments>> C :: 177.453 CA :: 61.013 CB :: 31.581 CG :: 37.359 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.791 HA :: 4.403 HB2 :: 2.318 HB3 :: 2.318 HG2 :: 2.241 HG3 :: 2.241 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.280 Ave N Shift Values>> N :: 120.67(3.48) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 T 0.04 A 0.01 C Shift Assignments>> C :: 175.509 CA :: 58.497 CB :: 74.424 CG2 :: 22.489 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.109 HA :: 4.810 HB :: 4.137 HG21 :: 1.357 HG22 :: 1.357 HG23 :: 1.357 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 100.366 Ave N Shift Values>> N :: 115.42(4.75) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.31 R 0.13 G 0.05 C Shift Assignments>> C :: 178.790 CA :: 59.253 CB :: 43.054 CG :: 27.793 CD1 :: 24.431 CD2 :: 25.415 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.280 HA :: 3.737 HB2 :: 1.690 HB3 :: 1.690 HG :: 1.678 HD11 :: 0.931 HD12 :: 0.931 HD13 :: 0.931 HD21 :: 0.915 HD22 :: 0.915 HD23 :: 0.915 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.689 Ave N Shift Values>> N :: 121.86(3.9) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.32 R 0.16 G 0.02 C Shift Assignments>> C :: 179.778 CA :: 59.438 CB :: 42.614 CG :: 27.705 CD1 :: 25.953 CD2 :: 23.856 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.103 HA :: 4.176 HB2 :: 1.717 HB3 :: 1.717 HG :: 1.673 HD11 :: 0.689 HD12 :: 0.689 HD13 :: 0.689 HD21 :: 0.416 HD22 :: 0.416 HD23 :: 0.416 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.899 Ave N Shift Values>> N :: 121.86(3.9) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.25 K 0.24 G 0.04 C Shift Assignments>> C :: 179.656 CA :: 59.309 CB :: 33.987 CG :: 25.659 CD :: 29.529 CE :: 43.057 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.965 HA :: 4.243 HB2 :: 2.123 HB3 :: 2.123 HG2 :: 1.690 HG3 :: 1.690 HD2 :: 1.785 HD3 :: 1.785 HE2 :: 3.175 HE3 :: 3.175 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.229 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.24 I 0.19 C 0.14 K 0.06 L 0.03 D 0.01 C Shift Assignments>> C :: 175.853 CA :: 60.100 CB :: 40.858 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.843 HA :: 4.065 HB2 :: 3.217 HB3 :: 2.697 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.111 Ave N Shift Values>> N :: 120.17(4.64) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.25 C 0.18 I 0.08 D 0.06 N 0.04 L 0.03 E 0.02 M 0.01 HN Overlap>> 1.K135 1.K135 C Shift Assignments>> C :: 178.409 CA :: 57.212 CB :: 38.707 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.889 HA :: 4.226 HB2 :: 2.910 HB3 :: 2.910 HD21 :: 7.711 HD22 :: 6.926 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.384 ND2 :: 112.989 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 E 0.26 I 0.18 M 0.02 C Shift Assignments>> C :: 179.809 CA :: 59.993 CB :: 30.553 CG :: 37.278 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.201 HA :: 4.188 HB2 :: 2.234 HB3 :: 2.234 HG2 :: 2.281 HG3 :: 2.281 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.517 Ave N Shift Values>> N :: 120.67(3.48) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.55 T 0.44 C Shift Assignments>> CA :: 62.952 CB :: 65.681 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.685 HA :: 4.519 HB2 :: 3.708 HB3 :: 3.708 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.315 Ave N Shift Values>> N :: 116.28(3.52) 1.C70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.26 K 0.14 F 0.06 N 0.06 R 0.05 C 0.04 Y 0.04 C Shift Assignments>> C :: 177.269 CA :: 53.930 CB :: 41.854 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.514 HA :: 4.814 HB2 :: 2.531 HB3 :: 2.531 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.799 Ave N Shift Values>> N :: 120.17(4.64) 1.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.29 C 0.14 I 0.09 L 0.07 D 0.06 N 0.01 K 0.01 C Shift Assignments>> C :: 176.880 CA :: 57.927 CB :: 39.852 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.096 HA :: 4.520 HB2 :: 3.170 HB3 :: 2.859 HD21 :: 7.332 HD22 :: 7.033 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.690 ND2 :: 110.595 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.21 N 0.13 K 0.09 F 0.08 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 175.177 CA :: 53.802 CB :: 41.139 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.437 HA :: 4.946 HB2 :: 3.007 HB3 :: 2.696 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.292 Ave N Shift Values>> N :: 120.65(3.86) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.06 C 0.01 C Shift Assignments>> C :: 175.222 CA :: 51.011 CB :: 18.822 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.172 HA :: 4.004 HB1 :: 1.102 HB2 :: 1.102 HB3 :: 1.102 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.551 Ave N Shift Values>> N :: 123.23(3.54) 1.P74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 174.989 CA :: 64.426 CB :: 31.481 CG :: 29.279 CD :: 50.722 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.593 HB2 :: 1.033 HB3 :: 1.033 HG2 :: 1.805 HG3 :: 1.805 HD2 :: 3.507 HD3 :: 3.215 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.32 K 0.18 G 0.06 C Shift Assignments>> C :: 176.046 CA :: 54.443 CB :: 33.992 CG :: 25.826 CD :: 30.351 CE :: 43.100 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.456 HA :: 4.180 HB2 :: 1.723 HB3 :: 1.723 HG2 :: 1.330 HG3 :: 1.330 HD2 :: 1.659 HD3 :: 1.659 HE2 :: 2.993 HE3 :: 2.993 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.101 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.31 C Shift Assignments>> CA :: 64.079 CB :: 32.532 CG :: 28.419 CD :: 51.594 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.618 HB2 :: 2.370 HB3 :: 2.370 HG2 :: 2.098 HG3 :: 2.098 HD2 :: 3.861 HD3 :: 4.104 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.P77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.97 A 0.01 C Shift Assignments>> C :: 176.003 CA :: 64.837 CB :: 36.497(S) CG :: 25.246 CD :: 50.985 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.323 HB2 :: 2.321 HB3 :: 2.321 HG2 :: 1.921 HG3 :: 1.921 HD2 :: 3.953 HD3 :: 3.953 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.C78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.3 C 0.14 I 0.12 L 0.05 D 0.04 C Shift Assignments>> C :: 173.554 CA :: 58.368 CB :: 39.715 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.909 HA :: 4.334 HB2 :: 2.884 HB3 :: 2.884 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.217 Ave N Shift Values>> N :: 120.17(4.64) 1.S79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> S 0.99 C Shift Assignments>> C :: 175.823 CA :: 60.604 CB :: 63.833 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.170 HA :: 3.992 HB2 :: 3.266 HB3 :: 3.266 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 103.949(S) Ave N Shift Values>> N :: 116.28(3.52) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.4 R 0.03 C Shift Assignments>> C :: 178.641 CA :: 56.012 CB :: 41.243 CG :: 28.001 CD1 :: 25.260 CD2 :: 25.258 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.629 HA :: 4.349 HB2 :: 2.007 HB3 :: 2.007 HG :: 1.664 HD11 :: 1.032 HD12 :: 1.032 HD13 :: 1.032 HD21 :: 1.128 HD22 :: 1.128 HD23 :: 1.128 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.352 Ave N Shift Values>> N :: 121.86(3.9) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 M 0.1 E 0.1 C Shift Assignments>> C :: 176.296 CA :: 57.690 CB :: 34.094 CG :: 36.412 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.438 HA :: 4.537 HB2 :: 2.011 HB3 :: 2.011 HG2 :: 2.188 HG3 :: 2.090 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.937 Ave N Shift Values>> N :: 120.67(3.48) 1.V82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 175.930 CA :: 62.318 CB :: 32.023 CG1 :: 21.564 CG2 :: 19.275 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.248 HA :: 3.754 HB :: 1.771 HG11 :: -0.964(S) HG12 :: -0.964(S) HG13 :: -0.964(S) HG21 :: 0.139 HG22 :: 0.139 HG23 :: 0.139 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.113 Ave N Shift Values>> N :: 121.14(4.54) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.25 R 0.16 K 0.07 C 0.04 G 0.04 N 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 176.872 CA :: 52.750 CB :: 42.766 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.791 HA :: 4.822 HB2 :: 2.796 HB3 :: 2.796 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.666 Ave N Shift Values>> N :: 120.65(3.86) 1.Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.47 Y 0.18 F 0.18 C 0.15 C Shift Assignments>> C :: 177.436 CA :: 61.761 CB :: 39.473 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> HA :: 4.550 HB2 :: 3.672 HB3 :: 3.051 HD1 :: 7.300 HD2 :: 7.300 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 175.017 CA :: 45.481 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.960 HA2 :: 4.283 HA3 :: 4.283 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.559 Ave N Shift Values>> N :: 109.67(3.87) 1.V86 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.62 C 0.29 G 0.05 R 0.01 C Shift Assignments>> C :: 178.777 CA :: 56.708 CB :: 43.054(S) CG1 :: 25.363 CG2 :: 25.065 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> HA :: 4.255 HB :: 1.724 HG11 :: 0.914 HG12 :: 0.914 HG13 :: 0.914 HG21 :: 0.937 HG22 :: 0.937 HG23 :: 0.937 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 175.128 CA :: 46.234 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.556 HA2 :: 4.061 HA3 :: 4.061 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.398 Ave N Shift Values>> N :: 109.67(3.87) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.42 R 0.39 G 0.14 K 0.03 C Shift Assignments>> C :: 177.437 CA :: 57.112 CB :: 31.336 CG :: 27.836 CD :: 44.016 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> HA :: 4.362 HB2 :: 2.196 HB3 :: 2.196 HG2 :: 1.698 HG3 :: 1.698 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.12 C 0.05 L 0.04 V 0.01 C Shift Assignments>> C :: 176.935 CA :: 54.205 CB :: 20.022 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.369 HA :: 4.189 HB1 :: 1.317 HB2 :: 1.317 HB3 :: 1.317 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.086 Ave N Shift Values>> N :: 123.23(3.54) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 C 0.12 D 0.12 Y 0.1 F 0.09 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 174.795 CA :: 53.930 CB :: 38.270 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.244 HA :: 4.767 HB2 :: 2.736 HB3 :: 2.736 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.795 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I91 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.954 CA :: 63.976 CB :: 32.341 CG :: 28.273 CD :: 50.890 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.775 HB2 :: 2.289 HB3 :: 2.072 HG2 :: 2.098 HG3 :: 2.098 HD2 :: 3.678 HD3 :: 3.678 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 K 0.17 L 0.04 E 0.02 I 0.01 C Shift Assignments>> C :: 173.975 CA :: 53.305 CB :: 36.592 CG :: 25.224 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.783 HA :: 4.852 HB2 :: 1.892 HB3 :: 1.892 HG2 :: 0.803 HG3 :: 0.803 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.858 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.W94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 C 0.17 M 0.16 R 0.11 H 0.09 Q 0.09 W 0.08 E 0.06 V 0.03 HN Overlap>> 1.S16 1.S16 C Shift Assignments>> C :: 175.818 CA :: 57.112 CB :: 32.528 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.195 HA :: 5.860 HB2 :: 2.979 HB3 :: 2.979 HD1 :: 7.197 HE1 :: 10.562 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.503 NE1 :: 130.595 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.19 R 0.16 D 0.14 F 0.09 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 173.110 CA :: 55.971 CB :: 42.367 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 10.320 HA :: 5.349 HB2 :: 2.766 HB3 :: 2.766 HD1 :: 7.037 HD2 :: 7.037 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.008 Ave N Shift Values>> N :: 120.52(4.2) 1.Y96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.28 Y 0.25 I 0.24 C 0.14 K 0.03 L 0.02 C Shift Assignments>> C :: 174.430 CA :: 60.245 CB :: 40.492 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 10.738(S) HA :: 4.508 HB2 :: 3.000 HB3 :: 3.555 HD1 :: 7.221 HD2 :: 7.221 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.442 Ave N Shift Values>> N :: 120.52(4.2) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.23 N 0.11 K 0.1 F 0.06 C 0.04 Y 0.04 R 0.02 C Shift Assignments>> C :: 177.462 CA :: 53.307 CB :: 41.517 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.299 HA :: 4.622 HB2 :: 3.238 HB3 :: 3.238 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.392 Ave N Shift Values>> N :: 120.65(3.86) 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 176.310 CA :: 65.803 CB :: 69.231 CG2 :: 23.954 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.216 HA :: 4.468 HB :: 3.768 HG21 :: 1.360 HG22 :: 1.360 HG23 :: 1.360 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.686 Ave N Shift Values>> N :: 115.42(4.75) 1.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.23 C 0.15 D 0.11 N 0.1 L 0.06 I 0.04 E 0.01 C Shift Assignments>> C :: 176.624 CA :: 56.406 CB :: 38.991 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.429 HA :: 4.662 HB2 :: 3.099 HB3 :: 2.818 HD21 :: 8.032 HD22 :: 7.082 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.639 ND2 :: 114.702 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.25 L 0.16 F 0.07 C 0.05 Y 0.05 K 0.02 C Shift Assignments>> C :: 175.087 CA :: 53.101 CB :: 40.580 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.236 HA :: 4.949 HB2 :: 2.650 HB3 :: 2.796 HD21 :: 7.655 HD22 :: 6.965 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 112.306 ND2 :: 112.290 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.39 C 0.01 I 0.01 C Shift Assignments>> C :: 175.962 CA :: 54.019 CB :: 18.026 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.270 HA :: 3.849 HB1 :: 1.690 HB2 :: 1.690 HB3 :: 1.690 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.221 Ave N Shift Values>> N :: 123.23(3.54) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 173.655 CA :: 61.770 CB :: 72.669 CG2 :: 21.689 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.239 HA :: 4.737 HB :: 4.027 HG21 :: 1.256 HG22 :: 1.256 HG23 :: 1.256 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.183 Ave N Shift Values>> N :: 115.42(4.75) 1.C103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.37 N 0.23 L 0.18 F 0.05 C 0.05 K 0.04 Y 0.04 C Shift Assignments>> C :: 176.044 CA :: 52.479 CB :: 40.994 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> HA :: 4.941 HB2 :: 3.332 HB3 :: 3.143 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 E 0.2 M 0.14 C Shift Assignments>> C :: 178.072 CA :: 57.939 CB :: 32.939 CG :: 36.980 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.935 HA :: 4.250 HB2 :: 2.084 HB3 :: 2.084 HG2 :: 2.222 HG3 :: 2.222 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 112.145 Ave N Shift Values>> N :: 120.67(3.48) 1.M105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 A 0.08 M 0.06 C Shift Assignments>> C :: 176.914 CA :: 56.633 CB :: 34.951 CG :: 32.337 CE :: 21.510 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.419 HA :: 4.418 HB2 :: 1.554 HB3 :: 1.554 HG2 :: 1.930 HG3 :: 1.930 HE1 :: 0.997 HE2 :: 0.997 HE3 :: 0.997 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.877 Ave N Shift Values>> N :: 120.09(3.57) 1.F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.19 R 0.18 D 0.12 F 0.1 Y 0.06 C 0.05 C Shift Assignments>> C :: 172.876 CA :: 56.231 CB :: 42.467 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.599 HA :: 5.043 HB2 :: 3.156 HB3 :: 3.156 HD1 :: 7.098 HD2 :: 7.098 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.112 Ave N Shift Values>> N :: 120.45(4.18) 1.T107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 173.668 CA :: 62.960 CB :: 69.338 CG2 :: 23.150 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.588 HA :: 4.177 HB :: 4.049 HG21 :: 1.167 HG22 :: 1.167 HG23 :: 1.167 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.684 Ave N Shift Values>> N :: 115.42(4.75) 1.Y108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 D 0.19 Y 0.18 L 0.16 C 0.09 K 0.05 N 0.05 I 0.02 C Shift Assignments>> C :: 175.823 CA :: 56.295 CB :: 40.471 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.170 HA :: 4.930 HB2 :: 2.947 HB3 :: 2.947 HD1 :: 7.179 HD2 :: 7.179 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 130.214 Ave N Shift Values>> N :: 120.52(4.2) 1.G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 175.750 CA :: 45.374 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.149 HA2 :: 4.168 HA3 :: 4.168 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.961 Ave N Shift Values>> N :: 109.67(3.87) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.009 CA :: 45.311 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.660 HA2 :: 4.044 HA3 :: 4.044 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.066 Ave N Shift Values>> N :: 109.67(3.87) 1.I111 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 C 0.43 M 0.07 C Shift Assignments>> C :: 177.297 CA :: 54.908 CB :: 30.355(S) CG1 :: 27.881 CG2 :: 18.295 CD1 :: 12.991 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.359 HA :: 4.787 HB :: 2.151 HG12 :: 1.692 HG21 :: 0.979 HG22 :: 0.979 HG23 :: 0.979 HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.921 Ave N Shift Values>> N :: 121.46(4.28) 1.T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 66.733 CB :: 69.864 CG2 :: 22.434 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.033 HB :: 3.878 HG21 :: 1.462 HG22 :: 1.462 HG23 :: 1.462 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.973 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.494 HA3 :: 4.494 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.N114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.36 N 0.28 L 0.15 F 0.05 C 0.05 Y 0.04 K 0.02 C Shift Assignments>> C :: 176.044 CA :: 52.527 CB :: 40.689 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.928 HB2 :: 3.326 HB3 :: 3.143 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) 1.K115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.31 N 0.28 M 0.18 E 0.05 Q 0.04 K 0.04 Y 0.02 F 0.01 H 0.01 C Shift Assignments>> C :: 175.016 CA :: 51.609 CB :: 35.553 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.707 HB2 :: 3.278 HB3 :: 2.907 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) 1.N117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 Y 0.15 C 0.13 D 0.13 F 0.13 L 0.04 E 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 174.739 CA :: 54.719 CB :: 38.499 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.348 HA :: 4.865 HB2 :: 2.661 HB3 :: 2.661 HD21 :: 7.308 HD22 :: 6.754 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.782 ND2 :: 111.661 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.26 F 0.08 D 0.06 C 0.06 K 0.06 G 0.05 Y 0.05 C Shift Assignments>> C :: 176.880 CA :: 56.712 CB :: 43.446 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 10.294 HA :: 5.191 HB2 :: 3.385 HB3 :: 2.901 HD1 :: 7.104 HD2 :: 7.104 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.834 Ave N Shift Values>> N :: 120.45(4.18) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 E 0.31 I 0.08 M 0.06 C Shift Assignments>> C :: 176.324 CA :: 59.385 CB :: 31.116 CG :: 37.144 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.530 HA :: 4.395 HB2 :: 2.390 HB3 :: 2.390 HG2 :: 2.359 HG3 :: 2.359 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.248 Ave N Shift Values>> N :: 120.67(3.48) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.8 T 0.19 C Shift Assignments>> C :: 173.433 CA :: 56.990 CB :: 66.739 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.610 HA :: 4.699 HB2 :: 4.031 HB3 :: 4.031 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 108.952 Ave N Shift Values>> N :: 116.28(3.52) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.29 E 0.25 K 0.02 C Shift Assignments>> C :: 178.961 CA :: 60.296 CB :: 29.586 CG :: 36.904 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.967 HA :: 4.500 HB2 :: 2.572 HB3 :: 2.572 HG2 :: 2.380 HG3 :: 2.290 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.040 Ave N Shift Values>> N :: 120.67(3.48) 1.E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 I 0.35 E 0.19 K 0.01 C Shift Assignments>> C :: 179.064 CA :: 60.880 CB :: 29.802 CG :: 37.155 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.569 HA :: 3.752 HB2 :: 1.883 HB3 :: 1.883 HG2 :: 1.970 HG3 :: 1.970 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.148 Ave N Shift Values>> N :: 120.67(3.48) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 E 0.25 I 0.11 M 0.04 C Shift Assignments>> C :: 179.382 CA :: 59.843 CB :: 31.110 CG :: 37.390 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.926 HA :: 4.004 HB2 :: 2.201 HB3 :: 2.201 HG2 :: 2.270 HG3 :: 2.270 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.647 Ave N Shift Values>> N :: 120.67(3.48) 1.C124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 F 0.18 C 0.15 Y 0.11 G 0.1 I 0.06 K 0.06 L 0.05 C Shift Assignments>> C :: 175.323 CA :: 60.566 CB :: 43.230 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.278 HA :: 5.029 HB2 :: 2.997 HB3 :: 2.997 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.236 Ave N Shift Values>> N :: 120.17(4.64) 1.K125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 R 0.32 K 0.12 G 0.01 C Shift Assignments>> C :: 179.103 CA :: 60.218 CB :: 33.249 CG :: 26.877 CD :: 30.382 CE :: 42.305 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.664 HA :: 3.881 HB2 :: 1.766 HB3 :: 1.766 HG2 :: 1.533 HG3 :: 1.533 HD2 :: 1.632 HD3 :: 1.632 HE2 :: 3.102 HE3 :: 3.102 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.498 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.36 I 0.08 M 0.05 K 0.01 C Shift Assignments>> C :: 178.743 CA :: 58.647 CB :: 30.683 CG :: 37.134 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.920 HA :: 4.072 HB2 :: 2.046 HB3 :: 2.046 HG2 :: 2.400 HG3 :: 2.400 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.053 Ave N Shift Values>> N :: 120.67(3.48) 1.T127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.907 CA :: 66.619 CB :: 69.966 CG2 :: 22.423 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.518 HA :: 4.384 HB :: 3.870 HG21 :: 1.468 HG22 :: 1.468 HG23 :: 1.468 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.626 Ave N Shift Values>> N :: 115.42(4.75) 1.C128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.2 N 0.16 F 0.08 K 0.06 Y 0.06 C 0.05 C Shift Assignments>> C :: 172.680 CA :: 53.736 CB :: 40.918 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.171 HA :: 4.852 HB2 :: 2.230 HB3 :: 1.952 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.659 Ave N Shift Values>> N :: 120.17(4.64) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 K 0.22 G 0.07 R 0.04 C Shift Assignments>> C :: 176.265 CA :: 56.787 CB :: 34.127 CG :: 23.563 CD :: 30.440 CE :: 43.125 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.419 HA :: 4.500 HB2 :: 2.174 HB3 :: 2.205 HG2 :: 1.273 HG3 :: 1.273 HD2 :: 1.824 HD3 :: 1.824 HE2 :: 3.175 HE3 :: 3.175 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.530 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.739 CA :: 46.172 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.458 HA2 :: 3.804 HA3 :: 3.570 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.413 Ave N Shift Values>> N :: 109.67(3.87) 1.F131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 C 0.14 I 0.12 L 0.05 D 0.04 N 0.01 C Shift Assignments>> C :: 176.379 CA :: 58.305 CB :: 39.783 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.720 HA :: 4.919 HB2 :: 2.977 HB3 :: 2.786 HD1 :: 6.781 HD2 :: 6.781 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.831 Ave N Shift Values>> N :: 120.45(4.18) 1.S132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 174.156 CA :: 58.076 CB :: 66.021 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.177 HA :: 4.941 HB2 :: 4.103 HB3 :: 4.103 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.651 Ave N Shift Values>> N :: 116.28(3.52) 1.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.25 G 0.23 R 0.09 C Shift Assignments>> C :: 177.732 CA :: 58.175 CB :: 44.291 CG :: 28.009 CD1 :: 25.477 CD2 :: 25.400 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.745 HA :: 4.176 HB2 :: 1.762 HB3 :: 1.762 HG :: 1.604 HD11 :: 1.008 HD12 :: 1.008 HD13 :: 1.008 HD21 :: 0.980 HD22 :: 0.980 HD23 :: 0.980 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.561 Ave N Shift Values>> N :: 121.86(3.9) 1.L134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 G 0.29 C 0.21 R 0.04 C Shift Assignments>> C :: 178.018 CA :: 54.408 CB :: 44.420 CG :: 27.535 CD1 :: 25.290 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.719 HA :: 4.922 HB2 :: 1.667 HB3 :: 1.667 HG :: 1.597 HD11 :: 1.364 HD12 :: 1.364 HD13 :: 1.364 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.053 Ave N Shift Values>> N :: 121.86(3.9) 1.K135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.33 K 0.2 G 0.03 HN Overlap>> 1.N67 1.N67 C Shift Assignments>> C :: 176.325 CA :: 56.129 CB :: 35.193 CG :: 25.331 CD :: 30.361 CE :: 42.907 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.991 HA :: 4.597 HB2 :: 1.788 HB3 :: 1.788 HG2 :: 1.366 HG3 :: 1.366 HD2 :: 1.745 HD3 :: 1.745 HE2 :: 3.082 HE3 :: 3.082 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.359 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 G 0.3 R 0.2 K 0.01 C Shift Assignments>> C :: 177.219 CA :: 56.417 CB :: 32.909 CG :: 25.565 CD :: 27.835 CE :: 44.547 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.606 HA :: 4.517 HB2 :: 1.922 HB3 :: 1.922 HD2 :: 1.379 HD3 :: 1.379 HE2 :: 2.939 HE3 :: 2.939 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.038 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 HN Overlap>> 1.V139 1.V139 C Shift Assignments>> C :: 176.268 CA :: 62.877 CB :: 33.922 CG1 :: 21.785 CG2 :: 20.560 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.281 HA :: 4.230 HB :: 2.100 HG11 :: 1.020 HG12 :: 1.020 HG13 :: 1.020 HG21 :: 1.020 HG22 :: 1.020 HG23 :: 1.020 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.755 Ave N Shift Values>> N :: 121.14(4.54) 1.N138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.28 L 0.12 F 0.1 Y 0.09 C 0.07 HN Overlap>> 1.T27 1.T27 C Shift Assignments>> C :: 175.519 CA :: 53.959 CB :: 39.926 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.639 HA :: 4.824 HB2 :: 2.821 HB3 :: 2.821 HD21 :: 7.665 HD22 :: 7.014 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.739 ND2 :: 112.780 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 HN Overlap>> 1.V137 1.V137 C Shift Assignments>> C :: 176.810 CA :: 62.879 CB :: 34.221 CG1 :: 21.803 CG2 :: 20.876 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.255 HA :: 4.304 HB :: 2.174 HG11 :: 0.993 HG12 :: 0.993 HG13 :: 0.993 HG21 :: 0.993 HG22 :: 0.993 HG23 :: 0.993 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.648 Ave N Shift Values>> N :: 121.14(4.54) 1.T140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 1.S7 1.S7 C Shift Assignments>> C :: 174.754 CA :: 62.845 CB :: 70.736 CG2 :: 22.497 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.393 HA :: 4.457 HB :: 4.234 HG21 :: 1.270 HG22 :: 1.270 HG23 :: 1.270 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.918 Ave N Shift Values>> N :: 115.42(4.75) 1.I141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 175.722 CA :: 61.705 CB :: 39.691 CG1 :: 27.764 CG2 :: 18.653 CD1 :: 13.677 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.327 HA :: 4.297 HB :: 1.957 HG12 :: 1.242 HG13 :: 1.242 HG21 :: 1.063 HG22 :: 1.063 HG23 :: 1.063 HD11 :: 0.933 HD12 :: 0.933 HD13 :: 0.933 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.870 Ave N Shift Values>> N :: 121.46(4.28) 1.N142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.21 K 0.19 F 0.12 Y 0.09 C 0.05 R 0.04 N 0.03 C Shift Assignments>> C :: 180.020 CA :: 55.619 CB :: 41.535 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.119 HA :: 4.555 HB2 :: 2.742 HB3 :: 2.742 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 127.955 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 133 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 136 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 141 #Suspicious: 1 C Shift Results: #Consistent: 512 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 822 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 133 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.A36 HA = 5.800(S), Expected = 4.26, Std = 0.4400, ChiSquare = 4.6526e-04 1.Y38 H = 11.132(S), Expected = 8.32, Std = 0.7300, ChiSquare = 1.1713e-04 1.E46 SRO Rule Break>> CG > CB : 0.99165623696287 1.P77 CB = 36.497(S), Expected = 31.85, Std = 1.1800, ChiSquare = 8.2117e-05 1.S79 N = 103.949(S), Expected = 116.28, Std = 3.5200, ChiSquare = 4.5983e-04 1.V82 HG11 = -0.964(S), Expected = 0.83, Std = 0.2600, ChiSquare = 5.2003e-12 1.V82 HG12 = -0.964(S), Expected = 0.83, Std = 0.2600, ChiSquare = 5.2003e-12 1.V82 HG13 = -0.964(S), Expected = 0.83, Std = 0.2600, ChiSquare = 5.2003e-12 1.V86 Typing: Mistyped 1.V86 CB = 43.054(S), Expected = 32.73, Std = 1.7900, ChiSquare = 8.0409e-09 1.Y96 H = 10.738(S), Expected = 8.32, Std = 0.7300, ChiSquare = 9.2523e-04 1.I111 Typing: Mistyped 1.I111 CB = 30.355(S), Expected = 38.63, Std = 2.0200, ChiSquare = 4.1938e-05