Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.530 CA :: 58.437 CB :: 63.805 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.381 HB2 :: 3.806 HB3 :: 3.806 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) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.34 C 0.28 HN Overlap>> 1.D95 1.D95 1.N77 1.N77 C Shift Assignments>> C :: 174.904 CA :: 56.361 CB :: 29.861 CD2 :: 119.701 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 :: 8.474 HA :: 4.613 HB2 :: 3.145 HB3 :: 3.094 HD2 :: 7.033 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 :: 120.975 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.34 A 0.13 HN Overlap>> 1.V81 1.V81 C Shift Assignments>> C :: 175.362 CA :: 55.280 CB :: 32.477 CG :: 32.070 CE :: 16.765 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 :: 8.197 HA :: 4.325 HB2 :: 1.841 HB3 :: 1.842 HG2 :: 2.338 HG3 :: 2.338 HE1 :: 2.018 HE2 :: 2.018 HE3 :: 2.018 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 :: 121.037 Ave N Shift Values>> N :: 120.09(3.57) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.16 C 0.09 Y 0.07 F 0.06 L 0.04 C Shift Assignments>> C :: 174.875 CA :: 53.108 CB :: 38.685 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 :: 8.390 HA :: 4.643 HB2 :: 2.742 HB3 :: 2.645 HD21 :: 6.898 HD22 :: 7.581 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 :: 119.600 ND2 :: 112.961 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.35 HN Overlap>> 1.E18 1.E18 C Shift Assignments>> C :: 175.190 CA :: 57.606 CB :: 39.055 CD1 :: 131.550 CD2 :: 131.503 CE1 :: 131.657 CE2 :: 131.480 CZ :: 129.582 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 :: 8.238 HA :: 4.653 HB2 :: 3.265 HB3 :: 2.967 HD1 :: 7.245 HD2 :: 7.245 HE1 :: 7.323 HE2 :: 7.323 HZ :: 7.319 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 :: 120.725 Ave N Shift Values>> N :: 120.45(4.18) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.16 C 0.1 Y 0.08 F 0.08 L 0.04 HN Overlap>> 1.L116 1.L116 C Shift Assignments>> C :: 175.160 CA :: 53.507 CB :: 38.690 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 :: 8.375 HA :: 4.689 HB2 :: 2.781 HB3 :: 2.780 HD21 :: 7.585 HD22 :: 6.961 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 :: 118.843 ND2 :: 112.931 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.R144 1.L149 1.R144 1.L149 C Shift Assignments>> C :: 173.815 CA :: 63.515 CB :: 69.254 CG2 :: 22.756 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 :: 8.262 HA :: 4.063 HB :: 4.069 HG21 :: 1.121 HG22 :: 1.121 HG23 :: 1.121 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 :: 117.287 Ave N Shift Values>> N :: 115.42(4.75) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 175.563 CA :: 63.372 CB :: 38.844 CG1 :: 27.650 CG2 :: 17.171 CD1 :: 12.570 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 :: 9.250 HA :: 3.894 HB :: 1.352 HG12 :: 0.985 HG13 :: 1.567 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 HD11 :: 0.660 HD12 :: 0.660 HD13 :: 0.660 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 :: 127.162 Ave N Shift Values>> N :: 121.46(4.28) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.18 G 0.17 A 0.1 C Shift Assignments>> C :: 173.901 CA :: 54.126 CB :: 47.575 CG :: 26.770 CD1 :: 23.316 CD2 :: 23.516 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 :: 7.273 HA :: 4.447 HB2 :: 0.717 HB3 :: 0.622 HG :: 0.803 HD11 :: -0.086 HD12 :: -0.086 HD13 :: -0.086 HD21 :: -0.071 HD22 :: -0.071 HD23 :: -0.071 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 :: 118.100 Ave N Shift Values>> N :: 121.86(3.9) 1.E18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 M 0.32 E 0.15 Q 0.01 HN Overlap>> 1.F13 1.F13 C Shift Assignments>> C :: 174.932 CA :: 54.879 CB :: 33.180 CG :: 36.010 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 :: 8.221 HA :: 5.980(S) HB2 :: 2.076 HB3 :: 2.163 HG2 :: 2.259 HG3 :: 2.204 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 :: 120.787 Ave N Shift Values>> N :: 120.67(3.48) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 M 0.11 E 0.08 C Shift Assignments>> C :: 174.560 CA :: 57.720 CB :: 34.239 CG :: 36.010 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 :: 9.553 HA :: 4.580 HB2 :: 2.183 HB3 :: 2.719 HG2 :: 2.739 HG3 :: 2.626 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 :: 124.725 Ave N Shift Values>> N :: 120.67(3.48) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 175.563 CA :: 61.981 CB :: 36.882 CG1 :: 28.255 CG2 :: 17.360 CD1 :: 12.564 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 :: 8.792 HA :: 4.953 HB :: 1.978 HG12 :: 1.811 HG13 :: 1.108 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 HD11 :: 0.947 HD12 :: 0.947 HD13 :: 0.947 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 :: 127.037 Ave N Shift Values>> N :: 121.46(4.28) 1.L21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.65 L 0.19 C 0.08 A 0.06 C Shift Assignments>> C :: 174.188 CA :: 52.732 CB :: 45.396 CG :: 25.766 CD1 :: 23.630 CD2 :: 22.975 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 :: 9.180 HA :: 4.727 HB2 :: 1.244 HB3 :: 0.944 HG :: 1.359 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 HD21 :: -0.635(S) HD22 :: -0.635(S) HD23 :: -0.635(S) 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 :: 129.225 Ave N Shift Values>> N :: 121.86(3.9) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.4 C Shift Assignments>> C :: 174.360 CA :: 59.880 CB :: 41.043 CG1 :: 29.332 CG2 :: 19.110 CD1 :: 13.410 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 :: 7.626 HA :: 4.990 HB :: 1.741 HG12 :: 1.688 HG13 :: 0.917 HG21 :: 0.866 HG22 :: 0.866 HG23 :: 0.866 HD11 :: 0.754 HD12 :: 0.754 HD13 :: 0.754 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 :: 117.475 Ave N Shift Values>> N :: 121.46(4.28) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.37 A 0.07 R 0.01 C Shift Assignments>> C :: 175.219 CA :: 53.910 CB :: 35.440 CG :: 23.344 CD :: 28.780 CE :: 41.382 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 :: 9.323 HA :: 5.133 HB2 :: 1.645 HB3 :: 1.713 HG2 :: 1.281 HG3 :: 1.279 HD2 :: 1.009 HD3 :: 1.447 HE2 :: 2.717 HE3 :: 2.717 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 :: 126.162 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 G 0.41 R 0.13 C Shift Assignments>> C :: 175.706 CA :: 55.271 CB :: 33.675 CG :: 27.049 CD :: 44.656 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 :: 8.584 HA :: 4.593 HB2 :: 2.224 HB3 :: 1.674 HG2 :: 1.157 HG3 :: 1.821 HD2 :: 3.062 HD3 :: 2.947 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 :: 127.662 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.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.597 CB :: 63.805 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.681 HA :: 4.447 HB2 :: 3.988 HB3 :: 3.888 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 :: 123.475 Ave N Shift Values>> N :: 116.28(3.52) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.23 C 0.23 M 0.12 E 0.06 R 0.01 C Shift Assignments>> CA :: 55.593 CB :: 29.890 CG :: 33.718 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>> HA :: 4.473 HB2 :: 2.067 HB3 :: 2.018 HG2 :: 2.424 HG3 :: 2.428 HE21 :: 7.020 HE22 :: 7.527 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>> NE2 :: 112.554 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.23 E 0.21 K 0.17 M 0.1 C Shift Assignments>> CA :: 55.593 CB :: 29.890 CG :: 34.812 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>> HA :: 4.363 HB2 :: 1.966 HB3 :: 2.330 HG2 :: 2.273 HG3 :: 2.267 HE21 :: 7.480 HE22 :: 7.877 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>> NE2 :: 114.733 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K29 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.44 K 0.43 R 0.11 C Shift Assignments>> C :: 176.136 CA :: 58.681 CB :: 32.000 CG :: 24.332 CD :: 28.780 CE :: 41.780 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>> HA :: 4.020 HB2 :: 1.779 HB3 :: 1.779 HG2 :: 1.380 HG3 :: 1.379 HD2 :: 1.676 HD3 :: 1.676 HE2 :: 2.972 HE3 :: 2.977 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) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.13 C Shift Assignments>> C :: 174.732 CA :: 60.901 CB :: 68.915 CG2 :: 21.712 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 :: 7.351 HA :: 4.286 HB :: 4.439 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 :: 105.639 Ave N Shift Values>> N :: 115.42(4.75) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.725 CB :: 62.794 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.757 HA :: 4.695 HB2 :: 4.046 HB3 :: 3.814 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 :: 120.037 Ave N Shift Values>> N :: 116.28(3.52) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.508 CA :: 63.084 CB :: 32.000 CG :: 27.140 CD :: 50.733 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 :: 4.455 HB2 :: 1.877 HB3 :: 2.323 HG2 :: 2.041 HG3 :: 2.041 HD2 :: 3.745 HD3 :: 3.914 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.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.22 G 0.05 R 0.05 A 0.01 C Shift Assignments>> C :: 175.792 CA :: 54.591 CB :: 43.040 CG :: 26.770 CD1 :: 25.186 CD2 :: 23.789 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 :: 8.376 HA :: 4.211 HB2 :: 1.654 HB3 :: 1.037 HG :: 1.540 HD11 :: 0.809 HD12 :: 0.809 HD13 :: 0.809 HD21 :: 0.743 HD22 :: 0.743 HD23 :: 0.743 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 :: 122.037 Ave N Shift Values>> N :: 121.86(3.9) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.2 L 0.19 K 0.06 C 0.05 F 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 172.440 CA :: 52.072 CB :: 41.310 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 :: 8.401 HA :: 4.839 HB2 :: 2.620 HB3 :: 2.621 HD21 :: 7.521 HD22 :: 6.938 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 :: 118.715 ND2 :: 113.447 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 174.961 CA :: 57.376 CB :: 39.317 CD1 :: 132.667 CD2 :: 132.667 CE1 :: 117.060 CE2 :: 117.255 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 :: 8.391 HA :: 4.821 HB2 :: 2.697 HB3 :: 2.492 HD1 :: 6.602 HD2 :: 6.602 HE1 :: 6.203 HE2 :: 6.203 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 :: 119.912 Ave N Shift Values>> N :: 120.52(4.2) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.42 R 0.07 G 0.02 A 0.01 C Shift Assignments>> C :: 175.219 CA :: 53.668 CB :: 36.096 CG :: 24.414 CD :: 28.780 CE :: 42.226 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 :: 8.429 HA :: 4.799 HB2 :: 1.629 HB3 :: 1.631 HG2 :: 1.431 HG3 :: 1.329 HD2 :: 1.768 HD3 :: 1.641 HE2 :: 2.930 HE3 :: 2.930 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 :: 121.412 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.41 M 0.07 I 0.04 K 0.02 Q 0.01 C Shift Assignments>> C :: 177.167 CA :: 56.890 CB :: 30.432 CG :: 37.128 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 :: 9.161 HA :: 4.738 HB2 :: 1.944 HB3 :: 2.011 HG2 :: 2.266 HG3 :: 2.119 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 :: 125.037 Ave N Shift Values>> N :: 120.67(3.48) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.2 R 0.16 K 0.11 C Shift Assignments>> C :: 173.386 CA :: 53.734 CB :: 34.931 CG :: 27.757 CD :: 43.398 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 :: 9.514 HA :: 5.014 HB2 :: 1.550 HB3 :: 1.550 HG2 :: 1.445 HG3 :: 1.447 HD2 :: 2.693 HD3 :: 3.489 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 :: 125.537 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.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.23 R 0.14 A 0.05 G 0.03 C Shift Assignments>> C :: 175.419 CA :: 54.951 CB :: 42.848 CG :: 27.050 CD1 :: 26.208 CD2 :: 22.671 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 :: 8.796 HA :: 4.689 HB2 :: 1.809 HB3 :: 1.419 HG :: 1.415 HD11 :: 0.684 HD12 :: 0.684 HD13 :: 0.684 HD21 :: 0.898 HD22 :: 0.898 HD23 :: 0.898 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 :: 123.350 Ave N Shift Values>> N :: 121.86(3.9) 1.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.25 G 0.01 C Shift Assignments>> C :: 174.818 CA :: 57.733 CB :: 41.978 CD1 :: 131.767 CD2 :: 131.742 CE1 :: 130.706 CE2 :: 130.600 CZ :: 127.139 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 :: 9.397 HA :: 5.290 HB2 :: 3.110 HB3 :: 2.665 HD1 :: 7.085 HD2 :: 7.085 HE1 :: 6.624 HE2 :: 6.624 HZ :: 6.216 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 :: 129.537 Ave N Shift Values>> N :: 120.45(4.18) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 175.505 CA :: 61.867 CB :: 35.671 CG1 :: 22.117 CG2 :: 20.889 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 :: 9.527 HA :: 5.086 HB :: 2.281 HG11 :: 1.129 HG12 :: 1.129 HG13 :: 1.129 HG21 :: 1.094 HG22 :: 1.094 HG23 :: 1.094 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 :: 119.975 Ave N Shift Values>> N :: 121.14(4.54) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.23 C 0.15 A 0.01 C Shift Assignments>> C :: 175.219 CA :: 53.605 CB :: 45.367 CG :: 27.273 CD1 :: 24.005 CD2 :: 25.999 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 :: 9.732 HA :: 5.541 HB2 :: 1.729 HB3 :: 1.965 HG :: 1.540 HD11 :: 1.187 HD12 :: 1.187 HD13 :: 1.187 HD21 :: 0.671 HD22 :: 0.671 HD23 :: 0.671 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 :: 132.151 Ave N Shift Values>> N :: 121.86(3.9) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.56 C 0.43 C Shift Assignments>> C :: 172.669 CA :: 59.438 CB :: 72.259 CG2 :: 22.148 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 :: 9.161 HA :: 4.835 HB :: 4.704 HG21 :: 1.286 HG22 :: 1.286 HG23 :: 1.286 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 :: 119.850 Ave N Shift Values>> N :: 115.42(4.75) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.43 R 0.1 C Shift Assignments>> C :: 176.794 CA :: 59.037 CB :: 31.917 CG :: 24.516 CD :: 28.780 CE :: 41.780 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 :: 8.674 HA :: 3.942 HB2 :: 1.825 HB3 :: 1.825 HG2 :: 1.518 HG3 :: 1.615 HD2 :: 1.694 HD3 :: 1.741 HE2 :: 3.003 HE3 :: 3.003 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 :: 115.162 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.763 CA :: 58.838 CB :: 64.999 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.830 HA :: 4.640 HB2 :: 3.810 HB3 :: 3.809 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 :: 106.475 Ave N Shift Values>> N :: 116.28(3.52) 1.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 A 0.29 M 0.19 I 0.01 C Shift Assignments>> C :: 172.841 CA :: 55.205 CB :: 38.086 CG :: 32.070 CE :: 17.312 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 :: 7.852 HA :: 5.396 HB2 :: 1.834 HB3 :: 1.832 HG2 :: 2.482 HG3 :: 2.367 HE1 :: 1.823 HE2 :: 1.823 HE3 :: 1.823 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 :: 121.975 Ave N Shift Values>> N :: 120.09(3.57) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.19 G 0.17 R 0.11 C Shift Assignments>> C :: 174.589 CA :: 53.749 CB :: 43.836 CG :: 27.738 CD1 :: 25.658 CD2 :: 24.932 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 :: 9.100 HA :: 5.431 HB2 :: 2.182 HB3 :: 1.301 HG :: 1.696 HD11 :: 1.004 HD12 :: 1.004 HD13 :: 1.004 HD21 :: 1.446 HD22 :: 1.446 HD23 :: 1.446 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 :: 125.475 Ave N Shift Values>> N :: 121.86(3.9) 1.T49 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 :: 171.753 CA :: 61.861 CB :: 70.212 CG2 :: 22.478 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 :: 9.202 HA :: 4.778 HB :: 3.778 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 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 :: 123.537 Ave N Shift Values>> N :: 115.42(4.75) 1.Y50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 174.732 CA :: 53.327 CB :: 38.580 CD1 :: 133.606 CD2 :: 133.635 CE1 :: 116.923 CE2 :: 116.992 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 :: 7.752 HA :: 5.912 HB2 :: 1.327(S) HB3 :: 1.553(S) HD1 :: 6.240 HD2 :: 6.240 HE1 :: 6.545 HE2 :: 6.545 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 :: 118.954 Ave N Shift Values>> N :: 120.52(4.2) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 G 0.35 C 0.24 C Shift Assignments>> C :: 175.190 CA :: 56.512 CB :: 43.712 CD1 :: 134.015 CD2 :: 133.914 CE1 :: 117.554 CE2 :: 117.724 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 :: 9.132 HA :: 5.114 HB2 :: 2.520 HB3 :: 3.015 HD1 :: 7.004 HD2 :: 7.004 HE1 :: 6.493 HE2 :: 6.493 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 :: 119.382 Ave N Shift Values>> N :: 120.52(4.2) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.3 M 0.18 Q 0.07 K 0.04 C Shift Assignments>> C :: 175.162 CA :: 55.058 CB :: 30.694 CG :: 36.010 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 :: 8.964 HA :: 4.821 HB2 :: 2.394 HB3 :: 1.776 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 :: 123.662 Ave N Shift Values>> N :: 120.67(3.48) 1.G53 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 :: 172.211 CA :: 46.296 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.409 HA2 :: 3.411 HA3 :: 4.138 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.912 Ave N Shift Values>> N :: 109.67(3.87) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.37 K 0.17 G 0.05 C Shift Assignments>> CA :: 54.500 CB :: 33.171 CG :: 26.609 CD :: 43.015 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 :: 9.196 HA :: 4.225 HB2 :: 1.440 HB3 :: 1.636 HG2 :: 1.407 HG3 :: 1.408 HD2 :: 3.060 HD3 :: 3.056 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 :: 125.147 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.A55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.44 C 0.43 R 0.11 C Shift Assignments>> C :: 176.460 CA :: 57.781 CB :: 32.756 CG :: 24.968 CD :: 28.796 CE :: 41.921 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>> HA :: 4.153 HB2 :: 1.837 HB3 :: 1.833 HG2 :: 1.410 HG3 :: 1.497 HD2 :: 1.702 HE2 :: 2.999 HE3 :: 2.995 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) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.39 R 0.04 C Shift Assignments>> CA :: 55.046 CB :: 34.812 CG :: 24.421 CD :: 28.796 CE :: 41.921 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 :: 8.195 HA :: 4.554 HB2 :: 1.777 HB3 :: 1.916 HG2 :: 1.385 HG3 :: 1.377 HD2 :: 1.651 HD3 :: 1.643 HE2 :: 2.943 HE3 :: 2.912 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 :: 117.639 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.66 C 0.33 C Shift Assignments>> CA :: 56.140 CB :: 38.640 CD1 :: 132.998 CD2 :: 133.250 CE1 :: 117.960 CE2 :: 117.937 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 :: 7.329 HA :: 5.025 HB2 :: 3.295 HD1 :: 7.203 HD2 :: 7.203 HE1 :: 6.819 HE2 :: 6.819 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.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.49 R 0.3 G 0.18 K 0.02 C Shift Assignments>> C :: 175.849 CA :: 58.361 CB :: 31.330 CG :: 26.049 CD :: 44.128 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 :: 3.791 HB2 :: 2.128 HB3 :: 1.566 HG2 :: 1.010 HG3 :: 1.228 HD2 :: 2.891 HD3 :: 2.926 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.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.32 R 0.26 A 0.03 G 0.01 C Shift Assignments>> C :: 175.649 CA :: 53.631 CB :: 33.397 CG :: 23.801 CD :: 27.346 CE :: 42.232 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 :: 9.007 HA :: 4.615 HB2 :: 2.212 HB3 :: 1.482 HG2 :: 1.334 HG3 :: 1.701 HD2 :: 1.714 HD3 :: 1.807 HE2 :: 3.070 HE3 :: 2.933 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 :: 127.115 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 169.375 CA :: 44.635 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.825 HA2 :: 3.752 HA3 :: 3.310 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.287 Ave N Shift Values>> N :: 109.67(3.87) 1.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.78 C 0.2 C Shift Assignments>> C :: 172.698 CA :: 56.005 CB :: 41.558 CD1 :: 131.981 CD2 :: 132.067 CE1 :: 130.756 CE2 :: 130.953 CZ :: 129.483 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 :: 7.772 HA :: 5.315 HB2 :: 2.817 HB3 :: 2.975 HD1 :: 6.705 HD2 :: 6.705 HE1 :: 7.246 HE2 :: 7.246 HZ :: 7.150 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 :: 113.537 Ave N Shift Values>> N :: 120.45(4.18) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.39 G 0.03 C Shift Assignments>> C :: 174.675 CA :: 59.799 CB :: 42.571 CG1 :: 27.650 CG2 :: 17.645 CD1 :: 14.510 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 :: 9.299 HA :: 3.979 HB :: 1.505 HG12 :: 1.207 HG13 :: 0.283 HG21 :: 0.442 HG22 :: 0.442 HG23 :: 0.442 HD11 :: 0.507 HD12 :: 0.507 HD13 :: 0.507 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 :: 121.787 Ave N Shift Values>> N :: 121.46(4.28) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.24 K 0.12 N 0.09 F 0.08 Y 0.05 C 0.05 R 0.02 C Shift Assignments>> C :: 177.367 CA :: 54.030 CB :: 41.410 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 :: 8.898 HA :: 4.950 HB2 :: 2.600 HB3 :: 2.857 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 :: 128.537 Ave N Shift Values>> N :: 120.65(3.86) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.912 CA :: 66.154 CB :: 31.727 CG1 :: 23.233 CG2 :: 21.678 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 :: 8.300 HA :: 3.506 HB :: 1.930 HG11 :: 0.907 HG12 :: 0.907 HG13 :: 0.907 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 :: 129.159 Ave N Shift Values>> N :: 121.14(4.54) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.990 CA :: 60.634 CB :: 63.268 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.727 HA :: 4.485 HB2 :: 4.007 HB3 :: 4.008 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 :: 114.662 Ave N Shift Values>> N :: 116.28(3.52) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.3 R 0.24 G 0.01 C Shift Assignments>> C :: 176.460 CA :: 55.181 CB :: 32.364 CG :: 25.448 CD :: 28.416 CE :: 42.307 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 :: 7.969 HA :: 4.435 HB2 :: 2.050 HB3 :: 2.236 HG2 :: 1.554 HG3 :: 1.370 HD2 :: 1.783 HD3 :: 1.830 HE2 :: 3.036 HE3 :: 3.041 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 :: 120.162 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 174.904 CA :: 63.348 CB :: 37.567 CG1 :: 28.392 CG2 :: 19.575 CD1 :: 13.651 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 :: 7.433 HA :: 4.048 HB :: 2.027 HG12 :: 0.547 HG13 :: 2.074 HG21 :: 0.988 HG22 :: 0.988 HG23 :: 0.988 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 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 :: 120.475 Ave N Shift Values>> N :: 121.46(4.28) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.42 R 0.05 C Shift Assignments>> C :: 175.964 CA :: 55.645 CB :: 35.074 CG :: 24.558 CD :: 29.545 CE :: 41.780 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 :: 8.928 HA :: 4.646 HB2 :: 2.006 HB3 :: 1.448 HG2 :: 1.471 HG3 :: 1.473 HD2 :: 1.692 HD3 :: 1.695 HE2 :: 2.921 HE3 :: 2.921 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 :: 124.537 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.17 E 0.11 I 0.1 K 0.09 R 0.08 H 0.08 Q 0.07 V 0.03 M 0.01 C Shift Assignments>> C :: 172.182 CA :: 59.792 CB :: 29.541 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.348 HA :: 3.841 HB2 :: 1.897 HB3 :: 2.981 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 :: 116.287 Ave N Shift Values>> N :: 120.17(4.64) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 174.159 CA :: 61.061 CB :: 34.613 CG1 :: 23.005 CG2 :: 21.125 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 :: 7.473 HA :: 5.376 HB :: 1.840 HG11 :: 1.277 HG12 :: 1.277 HG13 :: 1.277 HG21 :: 1.185 HG22 :: 1.185 HG23 :: 1.185 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 :: 127.037 Ave N Shift Values>> N :: 121.14(4.54) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.26 E 0.22 C Shift Assignments>> C :: 173.815 CA :: 53.930 CB :: 32.089 CG :: 37.130 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 :: 8.553 HA :: 4.848 HB2 :: 1.360 HB3 :: 1.943 HG2 :: 1.968 HG3 :: 2.836 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 :: 126.037 Ave N Shift Values>> N :: 120.67(3.48) 1.I74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 174.732 CA :: 64.193 CB :: 39.726 CG1 :: 27.191 CG2 :: 18.538 CD1 :: 14.114 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 :: 10.569(S) HA :: 4.255 HB :: 2.007 HG12 :: 1.477 HG13 :: 1.249 HG21 :: 1.083 HG22 :: 1.083 HG23 :: 1.083 HD11 :: 0.955 HD12 :: 0.955 HD13 :: 0.955 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 :: 122.598 Ave N Shift Values>> N :: 121.46(4.28) 1.V75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 174.073 CA :: 60.234 CB :: 33.736 CG1 :: 21.380 CG2 :: 19.338 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 :: 7.337 HA :: 4.405 HB :: 1.163 HG11 :: 0.508 HG12 :: 0.508 HG13 :: 0.508 HG21 :: -0.203(S) HG22 :: -0.203(S) HG23 :: -0.203(S) 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 :: 123.537 Ave N Shift Values>> N :: 121.14(4.54) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.42 R 0.07 C Shift Assignments>> C :: 172.669 CA :: 56.354 CB :: 33.180 CG :: 24.910 CD :: 29.227 CE :: 41.780 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 :: 8.524 HA :: 4.303 HB2 :: 1.782 HB3 :: 1.553 HG2 :: 1.380 HG3 :: 1.513 HD2 :: 1.654 HD3 :: 1.654 HE2 :: 2.990 HE3 :: 2.990 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 :: 127.162 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.32 L 0.13 F 0.07 C 0.06 Y 0.05 K 0.01 HN Overlap>> 1.D95 1.H10 1.D95 1.H10 C Shift Assignments>> C :: 174.761 CA :: 52.932 CB :: 40.280 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 :: 8.483 HA :: 4.880 HB2 :: 2.796 HB3 :: 2.612 HD21 :: 7.518 HD22 :: 6.898 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 :: 120.958 ND2 :: 112.961 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 K 0.11 F 0.1 N 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 175.649 CA :: 54.536 CB :: 41.194 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 :: 8.547 HA :: 4.646 HB2 :: 2.669 HB3 :: 2.700 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 :: 121.793 Ave N Shift Values>> N :: 120.65(3.86) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.19 N 0.14 F 0.1 Y 0.08 K 0.06 C 0.06 C Shift Assignments>> C :: 176.410 CA :: 54.208 CB :: 40.799 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 :: 8.222 HA :: 4.584 HB2 :: 2.698 HB3 :: 2.698 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 :: 118.537 Ave N Shift Values>> N :: 120.65(3.86) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 173.586 CA :: 45.029 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.234 HA2 :: 3.934 HA3 :: 3.935 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.037 Ave N Shift Values>> N :: 109.67(3.87) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 HN Overlap>> 1.M11 1.M11 C Shift Assignments>> C :: 175.964 CA :: 62.169 CB :: 32.339 CG1 :: 20.620 CG2 :: 20.679 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 :: 8.183 HA :: 4.018 HB :: 1.932 HG11 :: 0.873 HG12 :: 0.873 HG13 :: 0.873 HG21 :: 0.757 HG22 :: 0.757 HG23 :: 0.757 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 :: 121.043 Ave N Shift Values>> N :: 121.14(4.54) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.44 A 0.03 C Shift Assignments>> CA :: 57.635 CB :: 39.126 CG1 :: 27.084 CG2 :: 17.615 CD1 :: 12.806 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 :: 8.532 HA :: 4.362 HB :: 1.734 HG12 :: 1.513 HG13 :: 1.163 HG21 :: 0.774 HG22 :: 0.774 HG23 :: 0.774 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 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 :: 128.100 Ave N Shift Values>> N :: 121.46(4.28) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.43 C Shift Assignments>> C :: 174.646 CA :: 62.916 CB :: 29.661 CG :: 26.812 CD :: 50.636 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 :: 4.380 HB2 :: 1.850 HB3 :: 1.850 HG2 :: 1.875 HG3 :: 1.519 HD2 :: 3.664 HD3 :: 3.297 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.C84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.16 H 0.13 W 0.12 C 0.11 E 0.11 R 0.09 L 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 173.328 CA :: 56.194 CB :: 28.708 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.210 HA :: 4.181 HB2 :: 1.892 HB3 :: 2.209 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 :: 116.037 Ave N Shift Values>> N :: 120.17(4.64) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.28 Q 0.26 R 0.08 M 0.04 E 0.03 HN Overlap>> 1.Q141 1.Q141 C Shift Assignments>> C :: 175.047 CA :: 57.719 CB :: 28.708 CG :: 33.374 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 :: 8.926 HA :: 3.986 HB2 :: 1.999 HB3 :: 1.995 HG2 :: 2.311 HG3 :: 2.400 HE21 :: 7.602 HE22 :: 6.926 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 :: 121.111 NE2 :: 112.896 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.12 C 0.09 F 0.03 Y 0.03 L 0.02 C Shift Assignments>> CA :: 51.126 CB :: 38.644 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 :: 7.161 HA :: 5.035 HB2 :: 2.494 HB3 :: 2.433 HD21 :: 8.371 HD22 :: 6.970 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 :: 119.662 ND2 :: 108.239 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> K 0.99 C Shift Assignments>> CB :: 31.531 CG :: 22.781 CD :: 29.343 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>> HA :: 4.114 HB2 :: 1.624 HB3 :: 1.330 HG2 :: 0.773 HG3 :: 0.383(S) HD2 :: 1.363 HD3 :: 1.367 HE2 :: 2.740 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) 1.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.38 H 0.37 W 0.23 C Shift Assignments>> CD1 :: 133.288 CE1 :: 118.629 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 :: 5.043 HD1 :: 6.986 HD2 :: 6.986 HE1 :: 6.958 HE2 :: 6.958 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.P89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.54 P 0.45 C Shift Assignments>> C :: 176.823 CA :: 61.397 CB :: 32.000 CG :: 26.229 CD :: 51.131 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 :: 5.510(S) HB2 :: 0.994 HB3 :: 1.142 HG2 :: 2.174 HG3 :: 1.716 HD2 :: 4.080 HD3 :: 3.414 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.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.2 G 0.01 C Shift Assignments>> C :: 170.320 CA :: 56.073 CB :: 42.010 CD1 :: 132.053 CD2 :: 132.415 CE1 :: 129.916 CE2 :: 130.114 CZ :: 129.725 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 :: 9.602 HA :: 5.022 HB2 :: 3.011 HB3 :: 2.699 HD1 :: 6.888 HD2 :: 6.888 HE1 :: 6.596 HE2 :: 6.596 HZ :: 6.192 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 :: 117.412 Ave N Shift Values>> N :: 120.45(4.18) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 C 0.35 E 0.01 Q 0.01 C Shift Assignments>> C :: 173.070 CA :: 52.248 CB :: 33.998 CG :: 32.625 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 :: 9.531 HA :: 5.646 HB2 :: 1.867 HB3 :: 1.534 HG2 :: 2.575 HG3 :: 1.962 HE21 :: 6.281 HE22 :: 8.185 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 :: 116.412 NE2 :: 109.961 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 174.159 CA :: 60.905 CB :: 34.078 CG1 :: 21.637 CG2 :: 20.829 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 :: 8.887 HA :: 4.640 HB :: 2.079 HG11 :: 0.920 HG12 :: 0.920 HG13 :: 0.920 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 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 :: 121.475 Ave N Shift Values>> N :: 121.14(4.54) 1.V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 175.534 CA :: 61.736 CB :: 32.482 CG1 :: 19.565 CG2 :: 21.310 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 :: 9.342 HA :: 4.653 HB :: 1.987 HG11 :: 0.913 HG12 :: 0.913 HG13 :: 0.913 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 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 :: 129.162 Ave N Shift Values>> N :: 121.14(4.54) 1.H94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 C 0.31 W 0.28 C Shift Assignments>> C :: 174.761 CA :: 53.789 CB :: 32.876 CD2 :: 119.840 CE1 :: 138.779 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 :: 8.944 HA :: 5.250 HB2 :: 2.987 HB3 :: 2.738 HD2 :: 6.830 HE1 :: 7.734 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 :: 126.662 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 D 0.16 L 0.13 C 0.1 N 0.04 K 0.04 I 0.03 HN Overlap>> 1.H10 1.N77 1.H10 1.N77 C Shift Assignments>> C :: 175.076 CA :: 56.687 CB :: 40.281 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 :: 8.487 HA :: 4.233 HB2 :: 2.732 HB3 :: 2.814 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 :: 121.030 Ave N Shift Values>> N :: 120.65(3.86) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 C 0.01 C Shift Assignments>> CA :: 51.765 CB :: 18.953 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.890 HA :: 4.412 HB1 :: 1.369 HB2 :: 1.369 HB3 :: 1.369 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.968 Ave N Shift Values>> N :: 123.23(3.54) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.25 N 0.11 K 0.09 C 0.05 R 0.04 F 0.04 Y 0.02 C Shift Assignments>> C :: 172.841 CA :: 52.312 CB :: 41.921 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 :: 4.559 HB2 :: 2.211 HB3 :: 2.323 HD21 :: 7.413 HD22 :: 6.945 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>> ND2 :: 114.007 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 171.896 CA :: 62.431 CB :: 70.478 CG2 :: 21.577 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 :: 8.079 HA :: 4.591 HB :: 3.700 HG21 :: 0.560 HG22 :: 0.560 HG23 :: 0.560 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 :: 115.460 Ave N Shift Values>> N :: 115.42(4.75) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 G 0.2 C 0.15 R 0.07 A 0.05 C Shift Assignments>> C :: 173.958 CA :: 53.016 CB :: 43.795 CG :: 26.770 CD1 :: 26.549 CD2 :: 23.351 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 :: 9.020 HA :: 4.552 HB2 :: 1.792 HB3 :: 1.597 HG :: 1.333 HD11 :: 0.723 HD12 :: 0.723 HD13 :: 0.723 HD21 :: 0.874 HD22 :: 0.874 HD23 :: 0.874 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 :: 130.037 Ave N Shift Values>> N :: 121.86(3.9) 1.Y100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 173.557 CA :: 56.830 CB :: 39.919 CD1 :: 133.244 CD2 :: 133.361 CE1 :: 118.022 CE2 :: 117.907 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 :: 9.109 HA :: 5.162 HB2 :: 2.806 HB3 :: 3.015 HD1 :: 7.093 HD2 :: 7.093 HE1 :: 6.910 HE2 :: 6.910 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 :: 125.837 Ave N Shift Values>> N :: 120.52(4.2) 1.I101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.74 I 0.25 C Shift Assignments>> C :: 173.128 CA :: 59.277 CB :: 39.582 CG1 :: 26.712 CG2 :: 20.827 CD1 :: 13.630 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 :: 8.142 HA :: 4.394 HB :: -0.462(S) HG12 :: 0.854 HG13 :: 0.009 HG21 :: -0.249(S) HG22 :: -0.249(S) HG23 :: -0.249(S) HD11 :: -0.071 HD12 :: -0.071 HD13 :: -0.071 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 :: 122.912 Ave N Shift Values>> N :: 121.46(4.28) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 C Shift Assignments>> C :: 174.961 CA :: 57.365 CB :: 39.659 CD1 :: 132.085 CD2 :: 131.711 CE1 :: 130.257 CE2 :: 130.600 CZ :: 129.122 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 :: 9.902 HA :: 4.255 HB2 :: 2.814 HB3 :: 2.999 HD1 :: 7.282 HD2 :: 7.282 HE1 :: 7.248 HE2 :: 7.248 HZ :: 7.236 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 :: 123.600 Ave N Shift Values>> N :: 120.45(4.18) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.02 G 0.02 C 0.01 C Shift Assignments>> CA :: 49.222 CB :: 18.953 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.509 HA :: 5.001 HB1 :: 1.859 HB2 :: 1.859 HB3 :: 1.859 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.411 Ave N Shift Values>> N :: 123.23(3.54) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 175.677 CA :: 64.343 CB :: 32.078 CG :: 27.032 CD :: 51.083 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 :: 4.490 HB2 :: 2.290 HB3 :: 2.372 HG2 :: 2.180 HG3 :: 2.522 HD2 :: 4.144 HD3 :: 3.605 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.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.046 CB :: 64.343 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.425 HA :: 4.744 HB2 :: 3.863 HB3 :: 4.243 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 :: 114.007 Ave N Shift Values>> N :: 116.28(3.52) 1.P106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.654 CA :: 64.424 CB :: 30.694 CG :: 26.808 CD :: 49.304 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 :: 3.735 HB2 :: 2.079 HB3 :: 1.867 HG2 :: 1.951 HG3 :: 1.599 HD2 :: 2.475(S) HD3 :: 3.657 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.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 Q 0.14 K 0.12 R 0.11 I 0.04 P 0.02 E 0.01 C Shift Assignments>> C :: 178.943 CA :: 59.828 CB :: 26.690 CG :: 33.720 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 :: 8.103 HA :: 4.050 HB2 :: 2.076 HB3 :: 1.957 HG2 :: 2.579 HG3 :: 2.436 HE21 :: 7.577 HE22 :: 6.919 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 :: 116.850 NE2 :: 111.810 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.250 CA :: 61.145 CB :: 62.182 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.963 HA :: 4.470 HB2 :: 4.272 HB3 :: 3.956 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 :: 116.787 Ave N Shift Values>> N :: 116.28(3.52) 1.R109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.34 R 0.11 C Shift Assignments>> C :: 176.490 CA :: 59.939 CB :: 29.625 CG :: 25.627 CD :: 44.514 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 :: 7.650 HA :: 3.653 HB2 :: 2.055 HB3 :: 2.165 HG2 :: 1.730 HG3 :: 1.406 HD2 :: 3.051 HD3 :: 3.382 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 :: 118.225 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.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.25 D 0.13 C 0.12 L 0.1 N 0.05 I 0.05 K 0.01 C Shift Assignments>> C :: 178.313 CA :: 56.824 CB :: 39.760 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 :: 8.613 HA :: 4.229 HB2 :: 2.663 HB3 :: 2.552 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 :: 115.912 Ave N Shift Values>> N :: 120.65(3.86) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.4 R 0.04 C Shift Assignments>> C :: 177.797 CA :: 57.986 CB :: 41.864 CG :: 26.770 CD1 :: 25.744 CD2 :: 23.228 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 :: 7.804 HA :: 4.106 HB2 :: 1.887 HB3 :: 1.562 HG :: 1.298 HD11 :: 0.808 HD12 :: 0.808 HD13 :: 0.808 HD21 :: 0.822 HD22 :: 0.822 HD23 :: 0.822 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 :: 123.287 Ave N Shift Values>> N :: 121.86(3.9) 1.W112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.57 C 0.42 C Shift Assignments>> C :: 178.513 CA :: 61.867 CB :: 28.965 CD1 :: 128.214 CE3 :: 118.287 CZ2 :: 114.190 CZ3 :: 120.568 CH2 :: 123.269 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 :: 8.017 HA :: 3.441 HB2 :: 2.496 HB3 :: 2.363 HD1 :: 7.694 HE1 :: 10.764 HE3 :: 7.291 HZ2 :: 7.376 HZ3 :: 6.904 HH2 :: 6.874 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 :: 119.162 NE1 :: 130.691 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 176.938 CA :: 66.898 CB :: 31.070 CG1 :: 23.540 CG2 :: 21.637 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 :: 8.093 HA :: 3.261 HB :: 1.975 HG11 :: 0.603 HG12 :: 0.603 HG13 :: 0.603 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 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 :: 116.225 Ave N Shift Values>> N :: 121.14(4.54) 1.K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.46 R 0.04 C Shift Assignments>> C :: 179.602 CA :: 60.012 CB :: 32.659 CG :: 24.787 CD :: 29.208 CE :: 41.780 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 :: 8.199 HA :: 3.909 HB2 :: 1.890 HB3 :: 1.946 HG2 :: 1.486 HG3 :: 1.291 HD2 :: 1.637 HD3 :: 1.592 HE2 :: 2.922 HE3 :: 2.923 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 :: 119.162 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.3 K 0.22 C Shift Assignments>> C :: 174.617 CA :: 57.709 CB :: 30.403 CG :: 24.310 CD :: 27.230 CE :: 41.780 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 :: 8.565 HA :: 3.992 HB2 :: 1.708 HB3 :: 1.408 HG2 :: 1.495 HG3 :: 1.100 HD2 :: 1.384 HD3 :: 1.558 HE2 :: 2.691 HE3 :: 2.811 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 :: 116.850 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 R 0.25 L 0.14 K 0.01 G 0.01 HN Overlap>> 1.N14 1.N14 C Shift Assignments>> C :: 178.714 CA :: 59.013 CB :: 42.120 CG :: 28.713 CD1 :: 25.211 CD2 :: 26.109 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 :: 8.370 HA :: 3.997 HB2 :: 1.402 HB3 :: 2.377 HG :: 1.926 HD11 :: 1.087 HD12 :: 1.087 HD13 :: 1.087 HD21 :: 1.224 HD22 :: 1.224 HD23 :: 1.224 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 :: 118.938 Ave N Shift Values>> N :: 121.86(3.9) 1.K117 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 P 0.18 Q 0.11 R 0.06 I 0.03 M 0.01 HN Overlap>> 1.C142 1.C142 C Shift Assignments>> C :: 178.542 CA :: 61.382 CB :: 32.978 CG :: 28.683(S) 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 :: 8.806 HA :: 3.768 HB2 :: 1.597 HB3 :: 2.017 HG2 :: 1.146 HG3 :: 1.143 HD2 :: 1.666 HD3 :: 1.673 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 :: 118.537 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.14 K 0.1 Q 0.06 M 0.01 C Shift Assignments>> C :: 178.742 CA :: 58.914 CB :: 29.015 CG :: 36.010 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 :: 7.604 HA :: 3.948 HB2 :: 2.076 HB3 :: 2.241 HG2 :: 2.421 HG3 :: 2.327 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 :: 115.484 Ave N Shift Values>> N :: 120.67(3.48) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.25 Q 0.2 K 0.19 M 0.03 I 0.02 C Shift Assignments>> C :: 179.000 CA :: 57.385 CB :: 29.336 CG :: 35.063 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 :: 7.532 HA :: 4.311 HB2 :: 2.336 HB3 :: 1.958 HG2 :: 2.607 HG3 :: 2.208 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 :: 115.062 Ave N Shift Values>> N :: 120.67(3.48) 1.I120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 177.482 CA :: 62.009 CB :: 38.316 CG1 :: 25.109 CG2 :: 15.932 CD1 :: 13.785 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 :: 8.016 HA :: 4.323 HB :: 2.321 HG12 :: 1.179 HG13 :: 1.681 HG21 :: 0.969 HG22 :: 0.969 HG23 :: 0.969 HD11 :: 0.808 HD12 :: 0.808 HD13 :: 0.808 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 :: 111.225 Ave N Shift Values>> N :: 121.46(4.28) 1.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.41 R 0.05 C Shift Assignments>> C :: 175.849 CA :: 59.148 CB :: 32.076 CG :: 23.791 CD :: 29.650 CE :: 41.910 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 :: 7.024 HA :: 3.990 HB2 :: 1.936 HB3 :: 1.936 HG2 :: 1.431 HG3 :: 1.341 HD2 :: 1.698 HD3 :: 1.698 HE2 :: 2.898 HE3 :: 2.898 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 :: 119.162 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.19 C 0.08 F 0.05 Y 0.05 L 0.04 C Shift Assignments>> C :: 175.018 CA :: 52.505 CB :: 39.003 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 :: 7.989 HA :: 5.040 HB2 :: 3.054 HB3 :: 2.663 HD21 :: 7.706 HD22 :: 7.004 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 :: 116.043 ND2 :: 114.180 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.15 Y 0.06 D 0.05 F 0.04 E 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 176.193 CA :: 52.891 CB :: 37.448 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 :: 8.173 HA :: 4.645 HB2 :: 3.211 HB3 :: 3.211 HD21 :: 7.833 HD22 :: 7.858 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 :: 121.537 ND2 :: 110.666 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.21 F 0.09 C 0.09 Y 0.09 L 0.06 C Shift Assignments>> C :: 175.419 CA :: 53.714 CB :: 39.085 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 :: 8.831 HA :: 4.732 HB2 :: 2.843 HB3 :: 2.844 HD21 :: 7.636 HD22 :: 6.967 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 :: 116.694 ND2 :: 112.474 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 C 0.11 D 0.1 Y 0.06 F 0.05 L 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 174.188 CA :: 52.761 CB :: 38.127 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 :: 8.226 HA :: 4.760 HB2 :: 2.860 HB3 :: 2.742 HD21 :: 7.636 HD22 :: 6.744 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 :: 116.975 ND2 :: 111.525 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.4 C Shift Assignments>> C :: 177.998 CA :: 59.555 CB :: 36.968 CG1 :: 26.808 CG2 :: 17.360 CD1 :: 10.614 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 :: 7.734 HA :: 4.316 HB :: 1.985 HG12 :: 1.392 HG13 :: 1.473 HG21 :: 1.169 HG22 :: 1.169 HG23 :: 1.169 HD11 :: 0.938 HD12 :: 0.938 HD13 :: 0.938 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 :: 119.412 Ave N Shift Values>> N :: 121.46(4.28) 1.M127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.48 A 0.02 C Shift Assignments>> C :: 179.888 CA :: 56.968 CB :: 34.428 CG :: 32.070 CE :: 16.218 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 :: 8.349 HA :: 4.216 HB2 :: 1.542 HB3 :: 2.652 HG2 :: 2.471 HG3 :: 2.754 HE1 :: 2.249 HE2 :: 2.249 HE3 :: 2.249 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 :: 127.287 Ave N Shift Values>> N :: 120.09(3.57) 1.I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 177.511 CA :: 62.034 CB :: 38.270 CG1 :: 27.650 CG2 :: 17.847 CD1 :: 12.294 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 :: 8.352 HA :: 4.365 HB :: 1.992 HG12 :: 1.365 HG13 :: 1.608 HG21 :: 1.049 HG22 :: 1.049 HG23 :: 1.049 HD11 :: 0.946 HD12 :: 0.946 HD13 :: 0.946 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 :: 119.078 Ave N Shift Values>> N :: 121.46(4.28) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.37 R 0.17 C Shift Assignments>> C :: 174.016 CA :: 54.275 CB :: 36.266 CG :: 25.577 CD :: 28.780 CE :: 41.780 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 :: 7.761 HA :: 5.311 HB2 :: 1.327 HB3 :: 1.284 HG2 :: 1.428 HG3 :: 1.072 HD2 :: 1.410 HD3 :: 1.484 HE2 :: 2.734 HE3 :: 2.731 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 :: 118.537 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.77 C 0.2 G 0.01 C Shift Assignments>> C :: 171.438 CA :: 54.613 CB :: 41.933 CD1 :: 133.162 CD2 :: 133.180 CE1 :: 117.608 CE2 :: 117.846 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 :: 9.845 HA :: 4.620 HB2 :: 3.041 HB3 :: 2.540 HD1 :: 6.741 HD2 :: 6.741 HE1 :: 6.603 HE2 :: 6.603 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 :: 122.037 Ave N Shift Values>> N :: 120.52(4.2) 1.H131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 C 0.29 W 0.27 C Shift Assignments>> CA :: 52.507 CB :: 31.514 CD2 :: 118.329 CE1 :: 139.694 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 :: 9.036 HA :: 5.105 HB2 :: 2.932 HB3 :: 3.095 HD2 :: 6.490 HE1 :: 7.319 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 :: 120.912 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.78 P 0.17 S 0.04 C Shift Assignments>> C :: 174.990 CA :: 63.320 CB :: 33.650 CG :: 27.140 CD :: 52.827 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 :: 4.188 HB2 :: 2.259 HB3 :: 1.758 HG2 :: 1.457 HG3 :: 1.681 HD2 :: 3.858 HD3 :: 3.354 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.K133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.43 K 0.08 G 0.01 C Shift Assignments>> C :: 174.445 CA :: 54.465 CB :: 36.634 CG :: 26.943 CD :: 29.478 CE :: 41.921 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 :: 7.251 HA :: 4.822 HB2 :: 2.359 HB3 :: 1.637 HG2 :: 1.237 HG3 :: 1.515 HD2 :: 1.569 HD3 :: 1.286 HE2 :: 2.825 HE3 :: 2.829 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 :: 112.350 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 176.479 CA :: 59.566 CB :: 40.136 CD1 :: 131.919 CD2 :: 132.065 CE1 :: 130.074 CE2 :: 130.098 CZ :: 129.283 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 :: 7.553 HA :: 3.958 HB2 :: 2.719 HB3 :: 2.537 HD1 :: 6.472 HD2 :: 6.472 HE1 :: 6.796 HE2 :: 6.796 HZ :: 6.779 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 :: 114.287 Ave N Shift Values>> N :: 120.45(4.18) 1.W135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 178.026 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 :: 7.454 HE1 :: 10.683 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 :: 119.819 NE1 :: 135.561 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.45 T 0.36 A 0.09 L 0.04 C 0.02 C Shift Assignments>> CG2 :: 21.277 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 :: 8.542 HA :: 4.592 HB :: 4.722 HG21 :: 1.277 HG22 :: 1.277 HG23 :: 1.277 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 :: 111.343 Ave N Shift Values>> N :: 115.42(4.75) 1.D137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.34 D 0.15 Y 0.14 F 0.13 C 0.12 L 0.05 E 0.01 M 0.01 I 0.01 C Shift Assignments>> CA :: 54.591 CB :: 38.640 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>> HA :: 4.222 HB2 :: 2.415 HB3 :: 2.753 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) 1.G138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 172.412 CA :: 45.456 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.193 HA3 :: 3.871 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S139 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.256 CB :: 65.174 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.306(S) HA :: 4.300 HB2 :: 3.464 HB3 :: 3.093 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 :: 108.850 Ave N Shift Values>> N :: 116.28(3.52) 1.Y140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.73 C 0.26 C Shift Assignments>> C :: 179.172 CA :: 60.195 CB :: 40.973 CD1 :: 132.155 CD2 :: 132.260 CE1 :: 117.354 CE2 :: 117.625 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 :: 4.734 HB2 :: 2.770 HB3 :: 4.100 HD1 :: 6.589 HD2 :: 6.589 HE1 :: 6.587 HE2 :: 6.587 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.Q141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.25 K 0.21 E 0.17 M 0.05 I 0.01 R 0.01 HN Overlap>> 1.Q85 1.Q85 C Shift Assignments>> C :: 175.076 CA :: 57.618 CB :: 29.517 CG :: 34.525 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 :: 8.937 HA :: 4.035 HB2 :: 2.156 HB3 :: 2.255 HG2 :: 2.619 HG3 :: 2.514 HE21 :: 7.293 HE22 :: 6.871 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 :: 121.151 NE2 :: 113.981 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.16 Q 0.12 C 0.12 W 0.12 E 0.1 M 0.1 K 0.06 HN Overlap>> 1.K117 1.K117 C Shift Assignments>> C :: 175.906 CA :: 54.719 CB :: 30.476 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.891 HA :: 4.329 HB2 :: 2.807 HB3 :: 3.239 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 :: 118.537 Ave N Shift Values>> N :: 120.17(4.64) 1.C143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 K 0.16 C 0.15 R 0.13 H 0.12 W 0.09 E 0.08 Q 0.05 V 0.01 C Shift Assignments>> C :: 175.677 CA :: 56.568 CB :: 32.078 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.610 HA :: 4.924 HB2 :: 2.720 HB3 :: 3.328 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 :: 114.100 Ave N Shift Values>> N :: 120.17(4.64) 1.R144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.32 K 0.14 R 0.04 G 0.01 HN Overlap>> 1.T15 1.T15 C Shift Assignments>> C :: 175.477 CA :: 57.479 CB :: 25.693 CG :: 26.811 CD :: 42.488 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 :: 8.181 HA :: 4.177 HB2 :: 2.056 HB3 :: 2.162 HG2 :: 1.476 HG3 :: 1.569 HD2 :: 3.106 HD3 :: 3.175 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 :: 117.321 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.Q145 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.39 C 0.38 M 0.09 I 0.04 Q 0.03 K 0.03 C Shift Assignments>> C :: 175.391 CA :: 57.884 CB :: 30.598 CG :: 36.336 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 :: 7.475 HA :: 4.591 HB2 :: 2.079 HB3 :: 2.393 HG2 :: 2.802 HG3 :: 2.410 HE21 :: 7.191 HE22 :: 8.517(S) 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 :: 117.787 NE2 :: 115.104 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T146 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 :: 174.274 CA :: 61.023 CB :: 71.252 CG2 :: 21.440 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 :: 8.159 HA :: 4.217 HB :: 3.676 HG21 :: 0.975 HG22 :: 0.975 HG23 :: 0.975 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 :: 125.147 Ave N Shift Values>> N :: 115.42(4.75) 1.E147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.37 E 0.04 C Shift Assignments>> C :: 174.732 CA :: 63.885 CB :: 30.567 CG :: 36.010 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 :: 8.541 HA :: 5.035 HB2 :: 2.040 HB3 :: 2.040 HG2 :: 2.310 HG3 :: 2.310 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 :: 126.601 Ave N Shift Values>> N :: 120.67(3.48) 1.K148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 R 0.34 C 0.27 G 0.01 HN Overlap>> 1.L149 1.L149 C Shift Assignments>> C :: 178.599 CA :: 54.992 CB :: 31.643 CG :: 24.534 CD :: 28.105 CE :: 42.517 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 :: 8.357 HA :: 4.282 HB2 :: 1.235 HB3 :: 1.731 HG2 :: 1.361 HG3 :: 1.290 HD2 :: 1.489 HD3 :: 1.487 HE2 :: 2.930 HE3 :: 3.013 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 :: 117.212 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.24 A 0.2 HN Overlap>> 1.T15 1.K148 1.T15 1.K148 C Shift Assignments>> C :: 175.735 CA :: 53.612 CB :: 39.530 CG :: 26.770 CD1 :: 24.730 CD2 :: 22.270 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 :: 8.341 HA :: 4.435 HB2 :: 1.603 HB3 :: 1.723 HG :: 1.493 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 HD21 :: 0.690 HD22 :: 0.690 HD23 :: 0.690 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 :: 117.225 Ave N Shift Values>> N :: 121.86(3.9) 1.A150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 C Shift Assignments>> CA :: 50.888 CB :: 17.675 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.654 HA :: 4.444 HB1 :: 1.513 HB2 :: 1.513 HB3 :: 1.513 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.287 Ave N Shift Values>> N :: 123.23(3.54) 1.P151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 175.735 CA :: 62.844 CB :: 32.000 CG :: 27.429 CD :: 50.621 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 :: 4.160 HB2 :: 2.296 HB3 :: 1.883 HG2 :: 2.026 HG3 :: 2.120 HD2 :: 3.671 HD3 :: 3.874 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.G152 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.32 L 0.28 R 0.22 C 0.04 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 169.833 CA :: 44.148 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.352 HA2 :: 1.274(S) HA3 :: 2.467(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.975 Ave N Shift Values>> N :: 109.67(3.87) 1.C153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 R 0.14 C 0.14 K 0.13 H 0.13 W 0.1 E 0.09 Q 0.06 V 0.01 C Shift Assignments>> C :: 175.391 CA :: 56.135 CB :: 31.728 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.791 HA :: 4.568 HB2 :: 2.495 HB3 :: 3.114 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 :: 117.912 Ave N Shift Values>> N :: 120.17(4.64) 1.E154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.32 E 0.11 Q 0.01 C Shift Assignments>> C :: 174.703 CA :: 54.128 CB :: 33.417 CG :: 36.010 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 :: 8.181 HA :: 4.760 HB2 :: 1.776 HB3 :: 1.436 HG2 :: 2.351 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) N Shift Assignments>> N :: 124.475 Ave N Shift Values>> N :: 120.67(3.48) 1.K155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.43 R 0.12 C Shift Assignments>> C :: 175.248 CA :: 57.836 CB :: 32.756 CG :: 24.679 CD :: 28.780 CE :: 41.957 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 :: 8.999 HA :: 4.263 HB2 :: 1.868 HB3 :: 1.868 HG2 :: 1.394 HG3 :: 1.506 HD2 :: 1.794 HD3 :: 1.739 HE2 :: 3.051 HE3 :: 3.051 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 :: 124.412 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.35 C Shift Assignments>> C :: 174.102 CA :: 55.031 CB :: 37.523 CD1 :: 133.065 CD2 :: 133.000 CE1 :: 118.460 CE2 :: 118.677 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 :: 8.398 HA :: 4.900 HB2 :: 2.749 HB3 :: 2.515 HD1 :: 6.956 HD2 :: 6.956 HE1 :: 6.691 HE2 :: 6.691 HH :: 8.834 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 :: 125.037 Ave N Shift Values>> N :: 120.52(4.2) 1.N157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.17 C 0.07 F 0.04 L 0.03 Y 0.03 C Shift Assignments>> C :: 172.813 CA :: 51.615 CB :: 39.005 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 :: 9.088 HA :: 4.642 HB2 :: 2.610 HB3 :: 2.533 HD21 :: 7.491 HD22 :: 6.831 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 :: 130.162 ND2 :: 113.311 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.3 R 0.09 G 0.02 C Shift Assignments>> C :: 175.906 CA :: 56.333 CB :: 42.619 CG :: 26.770 CD1 :: 25.765 CD2 :: 23.844 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 :: 7.628 HA :: 3.450 HB2 :: 0.986 HB3 :: 0.857 HG :: 0.944 HD11 :: 0.729 HD12 :: 0.729 HD13 :: 0.729 HD21 :: 0.813 HD22 :: 0.813 HD23 :: 0.813 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 :: 124.537 Ave N Shift Values>> N :: 121.86(3.9) 1.F159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 C 0.31 C Shift Assignments>> C :: 175.333 CA :: 56.886 CB :: 39.497 CD1 :: 131.741 CD2 :: 131.549 CE1 :: 131.620 CE2 :: 131.349 CZ :: 129.470 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 :: 7.806 HA :: 4.532 HB2 :: 3.221 HB3 :: 2.858 HD1 :: 7.246 HD2 :: 7.246 HE1 :: 7.329 HE2 :: 7.329 HZ :: 7.325 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 :: 115.149 Ave N Shift Values>> N :: 120.45(4.18) 1.E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 M 0.13 Q 0.08 K 0.05 I 0.01 C Shift Assignments>> C :: 175.906 CA :: 56.323 CB :: 30.505 CG :: 36.010 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 :: 8.101 HA :: 4.266 HB2 :: 2.040 HB3 :: 1.881 HG2 :: 2.217 HG3 :: 2.217 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 :: 120.912 Ave N Shift Values>> N :: 120.67(3.48) 1.S161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.333 CA :: 58.134 CB :: 63.860 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.417 HA :: 4.446 HB2 :: 3.876 HB3 :: 3.828 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 :: 116.537 Ave N Shift Values>> N :: 116.28(3.52) 1.S162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.987 CA :: 58.534 CB :: 63.771 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.376 HA :: 4.462 HB2 :: 3.894 HB3 :: 3.895 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 :: 118.515 Ave N Shift Values>> N :: 116.28(3.52) 1.I163 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 :: 174.990 CA :: 61.144 CB :: 38.406 CG1 :: 27.042 CG2 :: 17.360 CD1 :: 12.802 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 :: 8.080 HA :: 4.189 HB :: 1.862 HG12 :: 1.435 HG13 :: 1.175 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 HD11 :: 0.854 HD12 :: 0.854 HD13 :: 0.854 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 :: 122.225 Ave N Shift Values>> N :: 121.46(4.28) 1.R164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.41 K 0.09 G 0.04 C Shift Assignments>> CA :: 57.168 CB :: 31.305 CG :: 26.829 CD :: 43.100 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 :: 7.939 HA :: 4.170 HB2 :: 1.815 HB3 :: 1.693 HG2 :: 1.561 HG3 :: 1.561 HD2 :: 3.179 HD3 :: 3.178 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 :: 130.162 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.ZN165 Overall Status: Residue type ZN not supported. 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 151 #Clerical: 0 #Suspicious: 13 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 151 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 13 Shift Relative Order (SRO) Results: #Consistent: 164 #Suspicious: 0 C Shift Results: #Consistent: 699 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1110 #Duplicate: 0 #Unknown: 0 #Suspicious: 21 #Anomalous: 0 N Shift Results: #Consistent: 152 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E18 HA = 5.980(S), Expected = 4.25, Std = 0.4100, ChiSquare = 2.4483e-05 1.L21 HD21 = -0.635(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.5152e-06 1.L21 HD22 = -0.635(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.5152e-06 1.L21 HD23 = -0.635(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.5152e-06 1.Y50 HB2 = 1.327(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.8826e-05 1.Y50 HB3 = 1.553(S), Expected = 2.84, Std = 0.3900, ChiSquare = 9.6685e-04 1.I74 H = 10.569(S), Expected = 8.28, Std = 0.6800, ChiSquare = 7.6218e-04 1.V75 HG21 = -0.203(S), Expected = 0.80, Std = 0.2800, ChiSquare = 3.4079e-04 1.V75 HG22 = -0.203(S), Expected = 0.80, Std = 0.2800, ChiSquare = 3.4079e-04 1.V75 HG23 = -0.203(S), Expected = 0.80, Std = 0.2800, ChiSquare = 3.4079e-04 1.K87 HG3 = 0.383(S), Expected = 1.35, Std = 0.2800, ChiSquare = 5.5322e-04 1.P89 HA = 5.510(S), Expected = 4.40, Std = 0.3300, ChiSquare = 7.6923e-04 1.I101 HB = -0.462(S), Expected = 1.78, Std = 0.2900, ChiSquare = 1.0668e-14 1.I101 HG21 = -0.249(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6060e-04 1.I101 HG22 = -0.249(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6060e-04 1.I101 HG23 = -0.249(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6060e-04 1.P106 HD2 = 2.475(S), Expected = 3.65, Std = 0.3500, ChiSquare = 7.8752e-04 1.K117 CG = 28.683(S), Expected = 24.89, Std = 1.1300, ChiSquare = 7.8897e-04 1.S139 H = 6.306(S), Expected = 8.28, Std = 0.5900, ChiSquare = 8.2057e-04 1.Q145 HE22 = 8.517(S), Expected = 7.02, Std = 0.4400, ChiSquare = 6.6828e-04 1.G152 HA2 = 1.274(S), Expected = 3.97, Std = 0.3700, ChiSquare = 3.1814e-13 1.G152 HA3 = 2.467(S), Expected = 3.90, Std = 0.3700, ChiSquare = 1.0752e-04