Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.28 L 0.26 G 0.24 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 44.012 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.717 HA3 :: 3.717 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 56.594 CB :: 63.473 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.867 HB2 :: 3.941 HB3 :: 3.877 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.P3 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 :: 176.666 CA :: 63.420 CB :: 32.138 CG :: 27.412 CD :: 50.878 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.535 HB2 :: 2.329 HB3 :: 1.933 HG2 :: 2.082 HG3 :: 2.082 HD2 :: 3.895 HD3 :: 3.789 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 HN Overlap>> 1.D52 1.D52 C Shift Assignments>> C :: 176.060 CA :: 62.521 CB :: 32.699 CG1 :: 20.759 CG2 :: 21.340 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.203 HA :: 4.112 HB :: 2.067 HG11 :: 0.985 HG12 :: 0.985 HG13 :: 0.985 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.840 Ave N Shift Values>> N :: 121.02(4.96) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.27 R 0.08 G 0.02 A 0.01 C Shift Assignments>> C :: 177.089 CA :: 54.989 CB :: 42.303 CG :: 27.136 CD1 :: 23.686 CD2 :: 25.091 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.338 HA :: 4.524 HB2 :: 1.661 HB3 :: 1.661 HG :: 1.637 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 HD21 :: 0.958 HD22 :: 0.958 HD23 :: 0.958 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.709 Ave N Shift Values>> N :: 121.98(4.07) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 61.588 CB :: 70.272 CG2 :: 21.564 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.093 HA :: 4.438 HB :: 4.201 HG21 :: 1.208 HG22 :: 1.208 HG23 :: 1.208 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.654 Ave N Shift Values>> N :: 115.7(5.05) 1.C7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.16 N 0.12 C 0.12 F 0.1 Y 0.09 K 0.08 R 0.01 C Shift Assignments>> C :: 175.219 CA :: 54.549 CB :: 40.635 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.476 HA :: 4.769 HB2 :: 3.177 HB3 :: 2.796 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.081 Ave N Shift Values>> N :: 119.95(4.79) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.15 R 0.09 C 0.09 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.822 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.359 HA2 :: 4.175 HA3 :: 4.126 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.713 Ave N Shift Values>> N :: 109.91(4.29) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.11 C Shift Assignments>> CA :: 64.208 CB :: 32.007 CG :: 27.282 CD :: 49.803 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.413 HB2 :: 2.348 HB3 :: 1.960 HG2 :: 2.059 HG3 :: 2.059 HD2 :: 3.650 HD3 :: 3.650 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.02 HN Overlap>> 1.C19 1.C19 C Shift Assignments>> C :: 177.125 CA :: 52.091 CB :: 17.948 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.620 HA :: 4.433 HB1 :: 1.443 HB2 :: 1.443 HB3 :: 1.443 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.913 Ave N Shift Values>> N :: 123.23(3.7) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.1 C Shift Assignments>> C :: 172.122 CA :: 58.223 CB :: 66.114 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.815 HA :: 5.099 HB2 :: 3.669 HB3 :: 3.669 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.945 Ave N Shift Values>> N :: 116.3(3.95) 1.F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.34 C 0.25 C Shift Assignments>> C :: 172.915 CA :: 56.769 CB :: 41.700 CD1 :: 132.035 CE1 :: 131.158 CZ :: 130.429 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.571 HA :: 4.582 HB2 :: 2.795 HB3 :: 2.795 HD1 :: 7.075 HD2 :: 7.075 HE1 :: 7.191 HE2 :: 7.191 HZ :: 7.163 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.847 Ave N Shift Values>> N :: 120.69(4.18) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.26 K 0.26 E 0.1 R 0.04 C Shift Assignments>> C :: 174.810 CA :: 54.919 CB :: 29.470 CG :: 33.769 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.152 HA :: 4.746 HB2 :: 1.880 HB3 :: 1.556 HG2 :: 2.339 HG3 :: 2.080 HE21 :: 7.451 HE22 :: 6.784 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 127.452 NE2 :: 111.436 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 C 0.14 F 0.14 L 0.13 Y 0.13 N 0.11 K 0.06 I 0.01 C Shift Assignments>> C :: 176.071 CA :: 55.264 CB :: 40.264 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.099 HA :: 4.398 HB2 :: 3.312 HB3 :: 3.116 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 127.042 Ave N Shift Values>> N :: 119.95(4.79) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.25 F 0.18 E 0.12 I 0.09 N 0.03 D 0.03 L 0.01 C Shift Assignments>> C :: 176.386 CA :: 57.342 CB :: 38.034 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.593 HA :: 4.329 HB2 :: 2.976 HB3 :: 2.702 HD21 :: 8.158 HD22 :: 7.119 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.659 ND2 :: 114.263 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.948 CA :: 59.447 CB :: 63.758 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.946 HA :: 4.315 HB2 :: 4.158 HB3 :: 3.852 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.239 Ave N Shift Values>> N :: 116.3(3.95) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.948 CA :: 62.403 CB :: 62.541 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.027 HA :: 4.086 HB2 :: 4.285 HB3 :: 4.285 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.717 Ave N Shift Values>> N :: 116.3(3.95) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 172.584 CA :: 63.093 CB :: 69.747 CG2 :: 22.755 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.441 HA :: 4.259 HB :: 4.179 HG21 :: 1.299 HG22 :: 1.299 HG23 :: 1.299 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.536 Ave N Shift Values>> N :: 115.7(5.05) 1.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.22 G 0.18 C 0.12 D 0.07 F 0.02 K 0.02 Y 0.02 HN Overlap>> 1.A10 1.A10 C Shift Assignments>> C :: 174.446 CA :: 54.529 CB :: 44.013 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.673 HA :: 5.534 HB2 :: 3.109 HB3 :: 2.838 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.841 Ave N Shift Values>> N :: 119.95(4.79) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.45 A 0.01 C Shift Assignments>> CA :: 58.778 CB :: 40.261 CG1 :: 25.678 CG2 :: 17.421 CD1 :: 15.986 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.013 HA :: 4.816 HB :: 1.971 HG12 :: 1.563 HG13 :: 1.285 HG21 :: 0.985 HG22 :: 0.985 HG23 :: 0.985 HD11 :: 0.904 HD12 :: 0.904 HD13 :: 0.904 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.453 Ave N Shift Values>> N :: 121.6(4.72) 1.P21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.852 CA :: 63.556 CB :: 31.531 CG :: 27.692 CD :: 49.682 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.248 HB2 :: 2.041 HB3 :: 0.716(S) HG2 :: 1.311 HG3 :: 0.602(S) HD2 :: 3.099 HD3 :: 2.040(S) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.22 Q 0.19 R 0.14 E 0.04 P 0.03 I 0.02 C Shift Assignments>> C :: 178.178 CA :: 59.377 CB :: 27.604 CG :: 33.222 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.412 HA :: 3.900 HB2 :: 1.962 HB3 :: 1.817 HG2 :: 2.375 HG3 :: 2.306 HE21 :: 7.374 HE22 :: 6.762 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.773 NE2 :: 109.630 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.33 R 0.08 G 0.01 C Shift Assignments>> C :: 177.239 CA :: 56.770 CB :: 42.143 CG :: 27.348 CD1 :: 23.981 CD2 :: 24.669 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.058 HA :: 4.264 HB2 :: 1.667 HB3 :: 1.667 HG :: 1.815 HD11 :: 0.999 HD12 :: 0.999 HD13 :: 0.999 HD21 :: 1.036 HD22 :: 1.036 HD23 :: 1.036 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.525 Ave N Shift Values>> N :: 121.98(4.07) 1.W24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 W 0.46 H 0.01 C Shift Assignments>> C :: 177.129 CA :: 54.584 CB :: 28.980 CD1 :: 123.358 CE3 :: 121.295 CZ2 :: 114.759 CZ3 :: 121.416 CH2 :: 125.174 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.789 HA :: 4.999 HB2 :: 3.802 HB3 :: 3.160 HD1 :: 6.793 HE1 :: 10.116 HE3 :: 7.314 HZ2 :: 7.513 HZ3 :: 7.253 HH2 :: 7.312 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 115.891 NE1 :: 126.459 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 C Shift Assignments>> C :: 175.324 CA :: 52.883 CB :: 18.058 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.071 HA :: 3.993 HB1 :: 0.900 HB2 :: 0.900 HB3 :: 0.900 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.058 Ave N Shift Values>> N :: 123.23(3.7) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.21 Y 0.15 N 0.13 F 0.08 D 0.02 K 0.02 I 0.02 C Shift Assignments>> C :: 175.481 CA :: 55.553 CB :: 37.011 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.993 HA :: 4.738 HB2 :: 3.160 HB3 :: 3.072 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.401 Ave N Shift Values>> N :: 119.95(4.79) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.17 L 0.17 C 0.11 K 0.07 F 0.04 Y 0.04 R 0.02 C Shift Assignments>> C :: 177.239 CA :: 52.441 CB :: 41.253 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.837 HB2 :: 3.056 HB3 :: 2.377 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.041 Ave N Shift Values>> N :: 120.73(4.2) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.18 N 0.17 E 0.13 F 0.11 D 0.06 I 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 174.024 CA :: 55.534 CB :: 37.704 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.584 HA :: 4.141 HB2 :: 3.067 HB3 :: 3.067 HD21 :: 7.510 HD22 :: 6.817 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.742 ND2 :: 112.304 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.22 G 0.15 C 0.14 R 0.1 N 0.05 K 0.04 F 0.02 Y 0.01 C Shift Assignments>> CA :: 51.220 CB :: 42.884 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.368 HA :: 5.187 HB2 :: 2.713 HB3 :: 2.444 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.271 Ave N Shift Values>> N :: 120.73(4.2) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.13 C Shift Assignments>> C :: 174.762 CA :: 63.866 CB :: 31.256 CG :: 27.843 CD :: 50.620 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.562 HB2 :: 2.229 HB3 :: 2.107 HG2 :: 2.397 HG3 :: 2.114 HD2 :: 3.967 HD3 :: 3.823 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.55 L 0.17 C 0.14 R 0.08 F 0.01 Y 0.01 D 0.01 C Shift Assignments>> C :: 177.993 CA :: 56.285 CB :: 45.226 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 10.466(S) HA :: 4.894 HB2 :: 2.904 HB3 :: 2.757 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.588 Ave N Shift Values>> N :: 120.73(4.2) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.18 R 0.17 D 0.11 C 0.1 F 0.08 Y 0.06 N 0.01 C Shift Assignments>> CA :: 56.027 CB :: 42.347 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.629 HA :: 4.605 HB2 :: 3.558 HB3 :: 3.035 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.196 Ave N Shift Values>> N :: 119.95(4.79) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.33 I 0.27 E 0.27 K 0.08 Q 0.03 C Shift Assignments>> C :: 176.414 CA :: 59.941 CB :: 28.648 CG :: 36.118 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> HA :: 4.197 HB2 :: 2.211 HB3 :: 2.171 HG2 :: 2.498 HG3 :: 2.435 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.19 L 0.15 C 0.11 K 0.06 F 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 177.406 CA :: 52.587 CB :: 41.036 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.884 HB2 :: 3.375 HB3 :: 2.754 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.304 Ave N Shift Values>> N :: 120.73(4.2) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 176.210 CA :: 46.059 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.957 HA2 :: 4.298 HA3 :: 3.593 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.497 Ave N Shift Values>> N :: 109.91(4.29) 1.S36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.424 CA :: 61.078 CB :: 61.196 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.262 HA :: 1.676(S) HB2 :: 2.997 HB3 :: 2.198(S) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.477 Ave N Shift Values>> N :: 116.3(3.95) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.19 C 0.13 L 0.12 F 0.1 Y 0.09 K 0.04 C Shift Assignments>> C :: 173.652 CA :: 54.268 CB :: 40.196 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.072 HA :: 4.223 HB2 :: 2.644 HB3 :: 2.197 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.793 Ave N Shift Values>> N :: 120.73(4.2) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.23 E 0.19 K 0.18 R 0.01 C Shift Assignments>> C :: 177.812 CA :: 53.301 CB :: 29.678 CG :: 34.949 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.656 HA :: 5.032 HB2 :: 2.579 HB3 :: 1.526 HG2 :: 1.923 HG3 :: 1.804 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 112.918 Ave N Shift Values>> N :: 120.68(3.68) 1.W39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.4 H 0.01 C Shift Assignments>> CA :: 53.360 CB :: 28.460 CD1 :: 125.264 CE3 :: 120.792 CZ2 :: 115.215 CZ3 :: 122.224 CH2 :: 124.959 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.261 HA :: 5.238 HB2 :: 3.541 HB3 :: 3.265 HD1 :: 7.122 HE1 :: 10.025 HE3 :: 7.544 HZ2 :: 7.638 HZ3 :: 7.201 HH2 :: 7.325 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.040 NE1 :: 127.115 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 65.901 CB :: 32.021 CG :: 27.809 CD :: 51.055 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.341 HB2 :: 2.418 HB3 :: 2.038 HG2 :: 2.237 HG3 :: 2.171 HD2 :: 4.239 HD3 :: 3.971 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.23 K 0.23 E 0.1 R 0.07 I 0.03 C Shift Assignments>> C :: 177.664 CA :: 58.885 CB :: 28.057 CG :: 33.959 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.206 HA :: 4.221 HB2 :: 2.211 HB3 :: 2.211 HG2 :: 2.612 HG3 :: 2.549 HE21 :: 7.677 HE22 :: 6.781 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 113.861 NE2 :: 111.870 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.33 K 0.25 L 0.03 C Shift Assignments>> C :: 177.752 CA :: 55.735 CB :: 30.142 CG :: 26.755 CD :: 41.587 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.711 HA :: 4.692 HB2 :: 2.374 HB3 :: 2.306 HG2 :: 2.272 HG3 :: 1.819 HD2 :: 3.621 HD3 :: 3.433 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.684 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.C43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.15 F 0.14 C 0.13 Y 0.13 K 0.1 N 0.06 R 0.01 I 0.01 C Shift Assignments>> C :: 175.860 CA :: 55.665 CB :: 40.615 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.864 HA :: 4.959 HB2 :: 3.103 HB3 :: 2.613 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.502 Ave N Shift Values>> N :: 119.95(4.79) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.09 K 0.06 L 0.01 HN Overlap>> 1.W73 1.W73 C Shift Assignments>> C :: 177.131 CA :: 57.558 CB :: 30.254 CG :: 27.216 CD :: 43.593 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.304 HA :: 4.367 HB2 :: 1.960 HB3 :: 1.960 HG2 :: 1.732 HG3 :: 1.732 HD2 :: 3.250 HD3 :: 3.250 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.090 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 174.182 CA :: 45.711 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.405 HA2 :: 4.015 HA3 :: 4.015 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.521 Ave N Shift Values>> N :: 109.91(4.29) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.28 R 0.1 G 0.03 C Shift Assignments>> C :: 176.974 CA :: 55.592 CB :: 42.693 CG :: 27.143 CD1 :: 23.927 CD2 :: 25.020 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.860 HA :: 4.375 HB2 :: 1.635 HB3 :: 1.529 HG :: 1.542 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 HD21 :: 0.972 HD22 :: 0.972 HD23 :: 0.972 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.523 Ave N Shift Values>> N :: 121.98(4.07) 1.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 175.678 CA :: 57.924 CB :: 38.884 CD1 :: 133.319 CE1 :: 118.312 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.066 HA :: 4.650 HB2 :: 3.079 HB3 :: 2.958 HD1 :: 7.154 HD2 :: 7.154 HE1 :: 6.863 HE2 :: 6.863 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.432 Ave N Shift Values>> N :: 120.79(4.69) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 175.467 CA :: 62.242 CB :: 33.071 CG1 :: 20.668 CG2 :: 21.176 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.885 HA :: 4.104 HB :: 1.994 HG11 :: 0.900 HG12 :: 0.900 HG13 :: 0.900 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.878 Ave N Shift Values>> N :: 121.02(4.96) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.35 C 0.27 C Shift Assignments>> C :: 175.673 CA :: 57.927 CB :: 39.670 CD1 :: 131.813 CE1 :: 131.797 CZ :: 129.966 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.322 HA :: 4.653 HB2 :: 3.131 HB3 :: 3.131 HD1 :: 7.336 HD2 :: 7.336 HE1 :: 7.395 HE2 :: 7.395 HZ :: 7.349 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.634 Ave N Shift Values>> N :: 120.69(4.18) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.27 K 0.25 E 0.13 R 0.04 C Shift Assignments>> CA :: 55.803 CB :: 29.635 CG :: 33.829 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.341 HA :: 4.351 HB2 :: 2.131 HB3 :: 1.950 HG2 :: 2.334 HG3 :: 2.334 HE21 :: 7.472 HE22 :: 6.844 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.644 NE2 :: 111.619 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 173.752 CA :: 45.491 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.932 HA3 :: 3.932 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.21 K 0.15 C 0.1 F 0.08 N 0.07 Y 0.06 R 0.05 HN Overlap>> 1.V4 1.V4 C Shift Assignments>> CA :: 54.488 CB :: 41.430 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.296 HA :: 4.692 HB2 :: 2.750 HB3 :: 2.712 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.832 Ave N Shift Values>> N :: 120.73(4.2) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.212 CA :: 58.325 CB :: 64.016 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.259 HA :: 4.497 HB2 :: 3.905 HB3 :: 3.905 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.061 Ave N Shift Values>> N :: 116.3(3.95) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.794 CB :: 64.151 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.286 HA :: 4.687 HB2 :: 3.850 HB3 :: 3.821 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.668 Ave N Shift Values>> N :: 116.3(3.95) 1.P55 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 :: 176.589 CA :: 63.407 CB :: 31.979 CG :: 26.528 CD :: 50.239 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.470 HB2 :: 2.091 HB3 :: 1.820 HG2 :: 1.858 HG3 :: 1.618 HD2 :: 3.607 HD3 :: 3.304 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.C56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.19 D 0.1 Y 0.05 F 0.03 E 0.01 L 0.01 C Shift Assignments>> C :: 174.965 CA :: 52.010 CB :: 37.944 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.770 HA :: 4.882 HB2 :: 3.597 HB3 :: 2.375 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.860 Ave N Shift Values>> N :: 119.95(4.79) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.986 CB :: 64.783 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.128 HA :: 4.473 HB2 :: 3.749 HB3 :: 3.718 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.231 Ave N Shift Values>> N :: 116.3(3.95) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.9 C 0.04 I 0.02 C Shift Assignments>> C :: 177.722 CA :: 54.287 CB :: 18.460 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.076 HB1 :: 1.201 HB2 :: 1.201 HB3 :: 1.201 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 C 0.32 F 0.3 C Shift Assignments>> C :: 174.536 CA :: 56.358 CB :: 38.049 CD1 :: 131.990 CE1 :: 131.640 CZ :: 130.023 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.445 HA :: 4.717 HB2 :: 3.260 HB3 :: 2.996 HD1 :: 7.230 HD2 :: 7.230 HE1 :: 7.457 HE2 :: 7.457 HZ :: 7.383 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.790 Ave N Shift Values>> N :: 120.69(4.18) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 E 0.1 C Shift Assignments>> C :: 175.084 CA :: 55.049 CB :: 34.044 CG :: 37.177 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.349 HA :: 4.824 HB2 :: 2.071 HB3 :: 1.738 HG2 :: 1.923 HG3 :: 1.844 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.241 Ave N Shift Values>> N :: 120.68(3.68) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.35 C 0.26 C Shift Assignments>> C :: 172.462 CA :: 56.461 CB :: 41.488 CD1 :: 131.642 CE1 :: 131.946 CZ :: 130.496 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.486 HA :: 4.732 HB2 :: 3.032 HB3 :: 2.686 HD1 :: 7.230 HD2 :: 7.230 HE1 :: 7.452 HE2 :: 7.452 HZ :: 7.198 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.062 Ave N Shift Values>> N :: 120.69(4.18) 1.H62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.47 C 0.29 W 0.22 C Shift Assignments>> C :: 172.674 CA :: 53.056 CB :: 31.196 CD2 :: 118.472 CE1 :: 137.337 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.975 HA :: 4.925 HB2 :: 2.998 HB3 :: 2.482 HD2 :: 6.765 HE1 :: 7.875 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 127.447 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.16 Y 0.15 C 0.15 L 0.13 N 0.08 K 0.06 I 0.02 C Shift Assignments>> C :: 177.195 CA :: 55.751 CB :: 40.225 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.610 HA :: 4.400 HB2 :: 3.336 HB3 :: 3.063 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 125.030 Ave N Shift Values>> N :: 119.95(4.79) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 L 0.24 C Shift Assignments>> C :: 178.865 CA :: 58.229 CB :: 39.120 CG :: 28.250 CD1 :: 23.475 CD2 :: 25.058 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.807 HA :: 4.023 HB2 :: 2.394 HB3 :: 1.623 HG :: 1.764 HD11 :: 0.915 HD12 :: 0.915 HD13 :: 0.915 HD21 :: 1.044 HD22 :: 1.044 HD23 :: 1.044 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.567 Ave N Shift Values>> N :: 121.98(4.07) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.572 CA :: 58.386 CB :: 62.795 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.371 HA :: 4.198 HB2 :: 4.272 HB3 :: 3.577 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 108.469 Ave N Shift Values>> N :: 116.3(3.95) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 173.805 CA :: 46.211 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.775 HA2 :: 4.676 HA3 :: 3.541 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.079 Ave N Shift Values>> N :: 109.91(4.29) 1.E67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.39 C 0.39 K 0.1 I 0.07 Q 0.03 C Shift Assignments>> C :: 174.552 CA :: 56.169 CB :: 29.211 CG :: 36.582 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 10.666(S) HA :: 4.621 HB2 :: 2.198 HB3 :: 2.109 HG2 :: 2.528 HG3 :: 2.444 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.632 Ave N Shift Values>> N :: 120.68(3.68) 1.C68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.2 R 0.13 K 0.13 C 0.1 F 0.05 Y 0.04 N 0.03 G 0.01 HN Overlap>> 1.C81 1.C81 C Shift Assignments>> C :: 175.465 CA :: 54.065 CB :: 42.366 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.514 HA :: 5.521 HB2 :: 2.776 HB3 :: 2.776 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.670 Ave N Shift Values>> N :: 119.95(4.79) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 I 0.16 G 0.16 A 0.02 C Shift Assignments>> C :: 174.793 CA :: 58.870 CB :: 43.027 CG1 :: 25.584 CG2 :: 17.123 CD1 :: 16.607 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.000 HA :: 4.918 HB :: 2.234 HG12 :: 1.749 HG13 :: 1.558 HG21 :: 1.085 HG22 :: 1.085 HG23 :: 1.085 HD11 :: 1.199 HD12 :: 1.199 HD13 :: 1.199 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.904 Ave N Shift Values>> N :: 121.6(4.72) 1.H70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 C 0.35 H 0.27 C Shift Assignments>> C :: 177.270 CA :: 60.477 CB :: 30.267 CD2 :: 118.611 CE1 :: 139.077 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.777 HA :: 4.062 HB2 :: 2.513 HB3 :: 2.023 HD2 :: 7.031 HE1 :: 7.867 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.272 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.628 CB :: 62.686 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.529 HA :: 3.939 HB2 :: 3.865 HB3 :: 3.640 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.757 Ave N Shift Values>> N :: 116.3(3.95) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.420 CA :: 61.241 CB :: 63.111 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.783 HA :: 4.428 HB2 :: 4.107 HB3 :: 4.107 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.447 Ave N Shift Values>> N :: 116.3(3.95) 1.W73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.59 C 0.38 H 0.02 HN Overlap>> 1.R44 1.R44 C Shift Assignments>> C :: 178.150 CA :: 54.964 CB :: 28.788 CD1 :: 125.719 CE3 :: 121.333 CZ2 :: 114.714 CZ3 :: 120.950 CH2 :: 124.738 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.284 HA :: 5.250 HB2 :: 3.964 HB3 :: 3.406 HD1 :: 7.261 HE1 :: 9.963 HE3 :: 7.625 HZ2 :: 7.536 HZ3 :: 7.323 HH2 :: 7.348 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.179 NE1 :: 126.442 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R74 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.44 C 0.35 K 0.13 G 0.03 L 0.02 C Shift Assignments>> C :: 173.820 CA :: 56.063 CB :: 30.285 CG :: 26.937 CD :: 42.823 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.983 HA :: 4.083 HB2 :: 2.245 HB3 :: 1.259 HG2 :: 1.517 HG3 :: 1.275 HD2 :: 3.018 HD3 :: 1.939(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.070 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB2 : 0.9950) 1.C75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.27 Y 0.14 N 0.07 F 0.07 K 0.04 I 0.03 D 0.01 Q 0.01 C Shift Assignments>> C :: 175.165 CA :: 56.117 CB :: 36.644 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.769 HA :: 4.800 HB2 :: 3.348 HB3 :: 3.109 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 124.110 Ave N Shift Values>> N :: 119.95(4.79) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 C 0.11 N 0.1 K 0.1 R 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 178.047 CA :: 52.655 CB :: 41.865 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.545 HA :: 4.920 HB2 :: 3.169 HB3 :: 2.651 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.294 Ave N Shift Values>> N :: 120.73(4.2) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.149 CA :: 45.551 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.308 HA2 :: 4.382 HA3 :: 3.562 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.907 Ave N Shift Values>> N :: 109.91(4.29) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.28 K 0.08 C 0.07 D 0.06 F 0.05 G 0.03 Y 0.03 I 0.01 C Shift Assignments>> CA :: 42.952 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.606 HA2 :: 4.753 HA3 :: 3.668 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.217 Ave N Shift Values>> N :: 109.91(4.29) 1.P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 174.817 CA :: 62.960 CB :: 30.763 CG :: 27.501 CD :: 50.112 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.709 HB2 :: 2.220 HB3 :: 2.012 HG2 :: 2.455 HG3 :: 2.148 HD2 :: 3.801 HD3 :: 3.801 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.57 L 0.16 C 0.14 R 0.07 F 0.01 Y 0.01 C Shift Assignments>> C :: 177.241 CA :: 56.303 CB :: 45.288 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 10.452(S) HA :: 4.896 HB2 :: 2.908 HB3 :: 2.758 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.688 Ave N Shift Values>> N :: 120.73(4.2) 1.C81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.18 C 0.13 L 0.12 F 0.1 Y 0.1 K 0.04 HN Overlap>> 1.C68 1.C68 C Shift Assignments>> C :: 178.212 CA :: 54.292 CB :: 40.204 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.505 HA :: 4.999 HB2 :: 3.595 HB3 :: 3.100 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.620 Ave N Shift Values>> N :: 119.95(4.79) 1.K82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.18 G 0.01 C Shift Assignments>> C :: 177.352 CA :: 60.223 CB :: 32.090 CG :: 25.355 CD :: 29.379 CE :: 42.086 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 10.718(S) HA :: 4.091 HB2 :: 1.952 HB3 :: 1.912 HG2 :: 1.646 HG3 :: 1.550 HD2 :: 1.664 HD3 :: 1.664 HE2 :: 2.946 HE3 :: 2.872 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 128.606 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.18 N 0.15 C 0.11 K 0.08 F 0.04 Y 0.03 R 0.03 C Shift Assignments>> C :: 177.483 CA :: 52.386 CB :: 41.431 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.783 HB2 :: 3.211 HB3 :: 2.531 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 113.051 Ave N Shift Values>> N :: 120.73(4.2) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.32 R 0.29 G 0.01 C Shift Assignments>> C :: 177.999 CA :: 58.467 CB :: 30.440 CG :: 25.465 CD :: 29.719 CE :: 42.150 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.091 HA :: 3.921 HB2 :: 2.280 HB3 :: 1.994 HG2 :: 1.327 HG3 :: 1.327 HD2 :: 1.700 HD3 :: 1.700 HE2 :: 2.959 HE3 :: 2.959 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 111.001 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.453 CA :: 62.355 CB :: 62.897 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.865 HA :: 4.093 HB2 :: 4.289 HB3 :: 4.268 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.439 Ave N Shift Values>> N :: 116.3(3.95) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.16 Y 0.15 C 0.15 L 0.12 N 0.1 K 0.04 I 0.01 C Shift Assignments>> C :: 176.233 CA :: 55.519 CB :: 40.059 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.950 HA :: 4.067 HB2 :: 3.239 HB3 :: 2.620 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.454 Ave N Shift Values>> N :: 120.73(4.2) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.38 K 0.11 Q 0.05 I 0.02 C Shift Assignments>> C :: 175.494 CA :: 54.494 CB :: 29.619 CG :: 36.348 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.822 HA :: 4.855 HB2 :: 2.578 HB3 :: 1.585 HG2 :: 2.086 HG3 :: 1.907 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.424 Ave N Shift Values>> N :: 120.68(3.68) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 E 0.39 Q 0.03 K 0.02 I 0.01 C Shift Assignments>> CA :: 55.260 CB :: 31.845 CG :: 36.265 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 6.990 HA :: 4.514 HB2 :: 2.106 HB3 :: 1.967 HG2 :: 2.377 HG3 :: 2.285 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.431 Ave N Shift Values>> N :: 120.68(3.68) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 N 0.26 E 0.15 Y 0.12 F 0.06 D 0.04 K 0.02 I 0.01 C Shift Assignments>> C :: 175.211 CA :: 54.473 CB :: 37.025 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.205 HA :: 4.502 HB2 :: 3.044 HB3 :: 2.993 HD21 :: 7.753 HD22 :: 7.018 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.967 ND2 :: 113.759 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 L 0.16 F 0.15 K 0.14 Y 0.13 C 0.13 N 0.04 R 0.02 I 0.01 C Shift Assignments>> C :: 175.006 CA :: 56.115 CB :: 40.855 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.308 HA :: 4.613 HB2 :: 3.114 HB3 :: 2.819 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.140 Ave N Shift Values>> N :: 119.95(4.79) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 C 0.03 C Shift Assignments>> C :: 177.439 CA :: 52.598 CB :: 19.253 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.412 HA :: 4.420 HB1 :: 1.421 HB2 :: 1.421 HB3 :: 1.421 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.763 Ave N Shift Values>> N :: 123.23(3.7) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.27 C Shift Assignments>> C :: 175.757 CA :: 62.119 CB :: 32.979 CG1 :: 20.476 CG2 :: 21.290 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.086 HA :: 4.166 HB :: 2.120 HG11 :: 0.981 HG12 :: 0.981 HG13 :: 0.981 HG21 :: 0.989 HG22 :: 0.989 HG23 :: 0.989 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.858 Ave N Shift Values>> N :: 121.02(4.96) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.03 L 0.01 C Shift Assignments>> C :: 176.973 CA :: 52.522 CB :: 19.511 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.403 HA :: 4.496 HB1 :: 1.462 HB2 :: 1.462 HB3 :: 1.462 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.070 Ave N Shift Values>> N :: 123.23(3.7) 1.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> CA :: 63.112 CB :: 70.861 CG2 :: 22.076 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.802 HA :: 4.197 HB :: 4.300 HG21 :: 1.219 HG22 :: 1.219 HG23 :: 1.219 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.578 Ave N Shift Values>> N :: 115.7(5.05) 2.CA1 Overall Status: Residue type CA not supported. ########################################################################### Overall Results: #Consistent: 87 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 94 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 93 #Suspicious: 1 C Shift Results: #Consistent: 352 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 543 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 92 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P21 HB3 = 0.716(S), Expected = 2.05, Std = 0.3900, ChiSquare = 6.2503e-04 1.P21 HG3 = 0.602(S), Expected = 1.92, Std = 0.3700, ChiSquare = 3.6781e-04 1.P21 HD3 = 2.040(S), Expected = 3.63, Std = 0.4000, ChiSquare = 7.0379e-05 1.D31 H = 10.466(S), Expected = 8.33, Std = 0.5700, ChiSquare = 1.7870e-04 1.S36 HA = 1.676(S), Expected = 4.51, Std = 0.4300, ChiSquare = 4.3776e-11 1.S36 HB3 = 2.198(S), Expected = 3.87, Std = 0.3100, ChiSquare = 6.9080e-08 1.E67 H = 10.666(S), Expected = 8.34, Std = 0.6100, ChiSquare = 1.3723e-04 1.R74 HD3 = 1.939(S), Expected = 3.13, Std = 0.2200, ChiSquare = 6.1758e-08 1.R74 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.D80 H = 10.452(S), Expected = 8.33, Std = 0.5700, ChiSquare = 1.9702e-04 1.K82 H = 10.718(S), Expected = 8.22, Std = 0.6400, ChiSquare = 9.4959e-05