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 0.42 L 0.28 D 0.06 F 0.05 G 0.05 K 0.04 C 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 170.125 CA :: 43.249 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.842 HA3 :: 3.842 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> C :: 177.827 CA :: 52.610 CB :: 19.369 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.617 HA :: 4.336 HB1 :: 1.380 HB2 :: 1.380 HB3 :: 1.380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.877 Ave N Shift Values>> N :: 123.23(3.54) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.34 A 0.14 C Shift Assignments>> C :: 176.055 CA :: 55.382 CB :: 32.923 CG :: 32.038 CE :: 16.985 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 :: 8.464 HA :: 4.442 HB2 :: 1.999 HB3 :: 2.070 HG2 :: 2.596 HG3 :: 2.542 HE1 :: 2.078 HE2 :: 2.078 HE3 :: 2.078 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 :: 119.746 Ave N Shift Values>> N :: 120.09(3.57) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.01 C Shift Assignments>> C :: 177.452 CA :: 52.560 CB :: 19.171 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.349 HA :: 4.298 HB1 :: 1.375 HB2 :: 1.375 HB3 :: 1.375 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.454 Ave N Shift Values>> N :: 123.23(3.54) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.18 C 0.09 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 175.494 CA :: 53.299 CB :: 38.894 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 :: 8.414 HA :: 4.699 HB2 :: 2.845 HB3 :: 2.789 HD21 :: 7.604 HD22 :: 6.910 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 :: 118.027 ND2 :: 113.016 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.528 CA :: 58.631 CB :: 63.775 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.273 HA :: 4.437 HB2 :: 3.927 HB3 :: 3.848 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 :: 116.077 Ave N Shift Values>> N :: 116.28(3.52) 1.D7 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 :: 176.577 CA :: 54.571 CB :: 41.177 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 :: 8.377 HA :: 4.637 HB2 :: 2.719 HB3 :: 2.686 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 :: 122.270 Ave N Shift Values>> N :: 120.65(3.86) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.668 CA :: 58.708 CB :: 63.651 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.196 HA :: 4.403 HB2 :: 3.855 HB3 :: 3.909 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.614 Ave N Shift Values>> N :: 116.28(3.52) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 R 0.15 I 0.13 W 0.11 Q 0.1 K 0.08 E 0.07 H 0.07 L 0.05 C Shift Assignments>> C :: 174.338 CA :: 58.709 CB :: 27.697 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.213 HA :: 4.444 HB2 :: 2.882 HB3 :: 2.882 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.200 Ave N Shift Values>> N :: 120.17(4.64) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.36 C 0.24 C Shift Assignments>> C :: 174.226 CA :: 55.403 CB :: 29.430 CD2 :: 119.963 CE1 :: 136.872 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 :: 8.353 HA :: 4.696 HB2 :: 3.102 HB3 :: 3.237 HD2 :: 7.201 HE1 :: 8.412 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 :: 121.037 ND1 :: 186.119 NE2 :: 175.957 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.4 R 0.09 C Shift Assignments>> C :: 175.963 CA :: 56.282 CB :: 33.086 CG :: 24.637 CD :: 29.173 CE :: 42.002 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 :: 8.237 HA :: 4.275 HB2 :: 1.699 HB3 :: 1.753 HG2 :: 1.336 HG3 :: 1.365 HD2 :: 1.602 HD3 :: 1.550 HE2 :: 2.953 HE3 :: 2.899 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 :: 123.192 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 174.374 CA :: 60.521 CB :: 39.297 CG1 :: 27.484 CG2 :: 17.092 CD1 :: 12.857 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 :: 8.017 HA :: 3.898 HB :: 1.427 HG12 :: 1.268 HG13 :: 0.944 HG21 :: 0.394 HG22 :: 0.394 HG23 :: 0.394 HD11 :: 0.728 HD12 :: 0.728 HD13 :: 0.728 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.514 Ave N Shift Values>> N :: 121.46(4.28) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.22 N 0.14 K 0.08 F 0.05 C 0.05 Y 0.03 R 0.02 C Shift Assignments>> C :: 177.212 CA :: 52.675 CB :: 41.477 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 :: 8.225 HA :: 4.704 HB2 :: 2.949 HB3 :: 2.621 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.918 Ave N Shift Values>> N :: 120.65(3.86) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 178.532 CA :: 61.104 CB :: 36.817 CD1 :: 132.615 CD2 :: 132.615 CE1 :: 118.535 CE2 :: 118.535 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 :: 8.519 HA :: 4.531 HB2 :: 3.123 HB3 :: 3.272 HD1 :: 7.196 HD2 :: 7.196 HE1 :: 6.816 HE2 :: 6.816 HH :: 8.021 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 :: 125.966 Ave N Shift Values>> N :: 120.52(4.2) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.09 P 0.04 L 0.04 A 0.03 N 0.01 C Shift Assignments>> C :: 176.553 CA :: 47.569 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.896 HA2 :: 3.913 HA3 :: 4.597 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.864 Ave N Shift Values>> N :: 109.67(3.87) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.44 R 0.03 C Shift Assignments>> C :: 178.138 CA :: 58.095 CB :: 41.428 CG :: 26.976 CD1 :: 26.168 CD2 :: 23.258 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.273 HA :: 4.146 HB2 :: 1.595 HB3 :: 2.104 HG :: 1.821 HD11 :: 1.018 HD12 :: 1.018 HD13 :: 1.018 HD21 :: 0.971 HD22 :: 0.971 HD23 :: 0.971 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 :: 127.671 Ave N Shift Values>> N :: 121.86(3.9) 1.Y17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 177.494 CA :: 58.747 CB :: 38.295 CD1 :: 132.856 CD2 :: 132.856 CE1 :: 118.381 CE2 :: 118.381 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 :: 7.868 HA :: 4.915 HB2 :: 3.136 HB3 :: 3.463 HD1 :: 7.311 HD2 :: 7.311 HE1 :: 6.955 HE2 :: 6.955 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 :: 119.362 Ave N Shift Values>> N :: 120.52(4.2) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.35 C 0.05 I 0.02 V 0.01 L 0.01 HN Overlap>> 1.D70 1.D70 C Shift Assignments>> C :: 179.469 CA :: 55.310 CB :: 19.210 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.642 HA :: 3.874 HB1 :: 1.719 HB2 :: 1.719 HB3 :: 1.719 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.184 Ave N Shift Values>> N :: 123.23(3.54) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.46 R 0.01 C Shift Assignments>> C :: 177.395 CA :: 58.292 CB :: 41.200 CG :: 26.625 CD1 :: 25.656 CD2 :: 22.601 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 :: 8.018 HA :: 4.064 HB2 :: 1.458 HB3 :: 1.918 HG :: 1.251 HD11 :: 0.181 HD12 :: 0.181 HD13 :: 0.181 HD21 :: 0.104 HD22 :: 0.104 HD23 :: 0.104 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.932 Ave N Shift Values>> N :: 121.86(3.9) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.28 I 0.21 K 0.03 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.135 CA :: 60.545 CB :: 29.978 CG :: 36.420 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 :: 8.061 HA :: 3.813 HB2 :: 2.372 HB3 :: 2.315 HG2 :: 2.480 HG3 :: 2.062 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.195 Ave N Shift Values>> N :: 120.67(3.48) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 179.276 CA :: 63.706 CB :: 37.481 CG1 :: 27.254 CG2 :: 17.530 CD1 :: 12.069 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 :: 8.051 HA :: 3.709 HB :: 1.625 HG12 :: 0.908 HG13 :: 1.022 HG21 :: 0.468 HG22 :: 0.468 HG23 :: 0.468 HD11 :: 0.198 HD12 :: 0.198 HD13 :: 0.198 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 :: 118.474 Ave N Shift Values>> N :: 121.46(4.28) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.29 R 0.14 C Shift Assignments>> C :: 178.730 CA :: 58.050 CB :: 41.859 CG :: 27.561 CD1 :: 22.551 CD2 :: 26.166 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 :: 8.669 HA :: 4.067 HB2 :: 1.309 HB3 :: 2.059 HG :: 1.878 HD11 :: 0.775 HD12 :: 0.775 HD13 :: 0.775 HD21 :: 1.007 HD22 :: 1.007 HD23 :: 1.007 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 :: 120.991 Ave N Shift Values>> N :: 121.86(3.9) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.23 I 0.07 C 0.02 C Shift Assignments>> C :: 179.770 CA :: 55.890 CB :: 17.834 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.829 HA :: 3.967 HB1 :: 1.386 HB2 :: 1.386 HB3 :: 1.386 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.341 Ave N Shift Values>> N :: 123.23(3.54) 1.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.23 K 0.2 E 0.07 R 0.06 I 0.04 C Shift Assignments>> C :: 180.281 CA :: 59.077 CB :: 28.117 CG :: 34.165 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 :: 7.746 HA :: 4.120 HB2 :: 2.292 HB3 :: 2.164 HG2 :: 2.399 HG3 :: 2.576 HE21 :: 7.360 HE22 :: 6.779 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 :: 117.098 NE2 :: 110.961 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y25 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 :: 176.433 CA :: 61.312 CB :: 38.076 CD1 :: 132.613 CD2 :: 132.613 CE1 :: 118.043 CE2 :: 118.043 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 :: 8.073 HA :: 3.994 HB2 :: 3.063 HB3 :: 3.028 HD1 :: 6.504 HD2 :: 6.504 HE1 :: 6.603 HE2 :: 6.603 HH :: 6.977 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 :: 121.600 Ave N Shift Values>> N :: 120.52(4.2) 1.H26 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> H 0.35 C 0.34 W 0.29 HN Overlap>> 1.F74 1.F74 C Shift Assignments>> C :: 173.351 CA :: 56.987 CB :: 31.020 CD2 :: 118.261 CE1 :: 138.830 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.546 HA :: 4.366 HB2 :: 2.767 HB3 :: 3.419 HD2 :: 7.185 HE1 :: 7.965 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 :: 115.282 ND1 :: 234.471(A) NE2 :: 170.453 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.19 E 0.13 Y 0.11 F 0.08 M 0.06 D 0.04 I 0.01 L 0.01 K 0.01 C Shift Assignments>> C :: 174.040 CA :: 54.577 CB :: 37.274 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 :: 7.959 HA :: 4.329 HB2 :: 3.105 HB3 :: 2.784 HD21 :: 6.759 HD22 :: 7.439 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.161 ND2 :: 112.566 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V28 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 :: 175.227 CA :: 60.963 CB :: 34.029 CG1 :: 21.841 CG2 :: 20.754 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 :: 8.260 HA :: 4.379 HB :: 1.999 HG11 :: 0.954 HG12 :: 0.954 HG13 :: 0.954 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 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 :: 117.517 Ave N Shift Values>> N :: 121.14(4.54) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K36 1.K36 C Shift Assignments>> C :: 173.452 CA :: 58.148 CB :: 63.625 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.366 HA :: 4.436 HB2 :: 3.784 HB3 :: 3.755 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 :: 120.413 Ave N Shift Values>> N :: 116.28(3.52) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 172.922 CA :: 60.290 CB :: 34.258 CG1 :: 22.775 CG2 :: 20.326 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 :: 8.258 HA :: 4.252 HB :: 1.913 HG11 :: 0.741 HG12 :: 0.741 HG13 :: 0.741 HG21 :: 0.824 HG22 :: 0.824 HG23 :: 0.824 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 :: 121.723 Ave N Shift Values>> N :: 121.14(4.54) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 C 0.13 D 0.09 G 0.03 F 0.02 Y 0.01 L 0.01 C Shift Assignments>> CA :: 49.226 CB :: 38.663 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 :: 8.661 HA :: 5.298 HB2 :: 2.755 HB3 :: 3.117 HD21 :: 7.741 HD22 :: 7.126 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 :: 125.397 ND2 :: 112.864 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.19 C Shift Assignments>> C :: 177.599 CA :: 65.476 CB :: 32.411 CG :: 27.869 CD :: 51.334 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 :: 3.962 HB2 :: 2.282 HB3 :: 2.128 HG2 :: 2.244 HG3 :: 1.934 HD2 :: 4.069 HD3 :: 3.936 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.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.32 I 0.21 K 0.06 Q 0.02 C Shift Assignments>> C :: 178.949 CA :: 59.425 CB :: 29.161 CG :: 36.461 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 :: 7.880 HA :: 3.963 HB2 :: 2.069 HB3 :: 2.002 HG2 :: 2.261 HG3 :: 2.296 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.186 Ave N Shift Values>> N :: 120.67(3.48) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.1 K 0.07 Q 0.04 M 0.03 C Shift Assignments>> C :: 179.130 CA :: 58.667 CB :: 29.712 CG :: 36.255 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 :: 7.294 HA :: 4.100 HB2 :: 2.068 HB3 :: 2.149 HG2 :: 2.204 HG3 :: 2.288 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 :: 120.108 Ave N Shift Values>> N :: 120.67(3.48) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 I 0.35 HN Overlap>> 1.L53 1.L53 C Shift Assignments>> C :: 178.351 CA :: 62.418 CB :: 35.854 CG1 :: 27.491 CG2 :: 18.553 CD1 :: 9.904 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 :: 7.603 HA :: 3.947 HB :: 2.157 HG12 :: 1.637 HG13 :: 1.247 HG21 :: 0.804 HG22 :: 0.804 HG23 :: 0.804 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 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 :: 118.593 Ave N Shift Values>> N :: 121.46(4.28) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.44 R 0.03 HN Overlap>> 1.S29 1.S29 C Shift Assignments>> C :: 178.314 CA :: 60.196 CB :: 32.347 CG :: 25.058 CD :: 29.580 CE :: 41.588 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 :: 8.369 HA :: 3.872 HB2 :: 1.917 HB3 :: 1.915 HG2 :: 1.691 HG3 :: 1.527 HD2 :: 1.699 HD3 :: 1.699 HE2 :: 2.949 HE3 :: 2.948 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 :: 120.420 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.33 C 0.3 C Shift Assignments>> C :: 176.240 CA :: 58.049 CB :: 28.922 CD2 :: 119.649 CE1 :: 137.027 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.875 HA :: 4.339 HB2 :: 3.236 HB3 :: 3.258 HD2 :: 7.216 HE1 :: 8.375 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 114.524 ND1 :: 188.816 NE2 :: 175.661 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.43 G 0.07 K 0.04 HN Overlap>> 1.N99 1.N99 C Shift Assignments>> C :: 177.517 CA :: 57.999 CB :: 31.641 CG :: 26.994 CD :: 43.487 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 :: 7.774 HA :: 3.886 HB2 :: 1.053 HB3 :: 1.448 HG2 :: 1.314 HG3 :: 0.774 HD2 :: 2.849 HD3 :: 2.948 HE :: 7.131 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 :: 115.500 NE :: 85.236 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.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 F 0.41 C 0.16 C Shift Assignments>> C :: 175.041 CA :: 58.960 CB :: 40.726 CD1 :: 132.243 CD2 :: 132.243 CE1 :: 131.265 CE2 :: 131.265 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 :: 8.335 HA :: 4.793 HB2 :: 2.658 HB3 :: 3.219 HD1 :: 7.433 HD2 :: 7.433 HE1 :: 7.244 HE2 :: 7.244 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 :: 112.990 Ave N Shift Values>> N :: 120.45(4.18) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.28 L 0.15 F 0.06 C 0.05 Y 0.04 K 0.02 C Shift Assignments>> C :: 177.113 CA :: 52.750 CB :: 40.569 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 :: 8.252 HA :: 5.134 HB2 :: 2.287 HB3 :: 3.119 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 :: 121.856 Ave N Shift Values>> N :: 120.65(3.86) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 176.060 CA :: 64.859 CB :: 68.924 CG2 :: 22.019 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 :: 7.997 HA :: 3.976 HB :: 4.173 HG21 :: 1.176 HG22 :: 1.176 HG23 :: 1.176 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.636 Ave N Shift Values>> N :: 115.42(4.75) 1.D42 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 0.07 Y 0.05 C 0.05 R 0.02 HN Overlap>> 1.S135 1.S135 C Shift Assignments>> C :: 177.097 CA :: 53.865 CB :: 41.432 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 :: 8.419 HA :: 4.784 HB2 :: 2.862 HB3 :: 2.734 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 :: 118.582 Ave N Shift Values>> N :: 120.65(3.86) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 175.620 CA :: 46.922 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.857 HA2 :: 3.999 HA3 :: 3.844 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.390 Ave N Shift Values>> N :: 109.67(3.87) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.406 CA :: 61.910 CB :: 69.772 CG2 :: 21.595 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 :: 8.321 HA :: 4.365 HB :: 4.492 HG21 :: 1.144 HG22 :: 1.144 HG23 :: 1.144 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.959 Ave N Shift Values>> N :: 115.42(4.75) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.3 G 0.14 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.066 CA :: 43.703 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.508 HA2 :: 3.719 HA3 :: 4.437 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.362 Ave N Shift Values>> N :: 109.67(3.87) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.3 R 0.15 G 0.01 C Shift Assignments>> C :: 177.877 CA :: 55.832 CB :: 42.418 CG :: 27.053 CD1 :: 25.053 CD2 :: 26.426 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 :: 9.287 HA :: 4.478 HB2 :: 1.620 HB3 :: 2.128 HG :: 1.933 HD11 :: 0.714 HD12 :: 0.714 HD13 :: 0.714 HD21 :: 0.786 HD22 :: 0.786 HD23 :: 0.786 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 :: 123.058 Ave N Shift Values>> N :: 121.86(3.9) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.27 R 0.19 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.263 CA :: 44.264 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.289 HA2 :: 4.087 HA3 :: 4.633 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.430 Ave N Shift Values>> N :: 109.67(3.87) 1.L48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.64 L 0.34 C Shift Assignments>> C :: 178.006 CA :: 59.198 CB :: 40.823 CG :: 26.314 CD1 :: 25.307 CD2 :: 21.518 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 :: 8.584 HA :: 3.131 HB2 :: 0.730 HB3 :: 1.425 HG :: 0.869 HD11 :: 0.236 HD12 :: 0.236 HD13 :: 0.236 HD21 :: -0.510(S) HD22 :: -0.510(S) HD23 :: -0.510(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 :: 121.558 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 0.96 C 0.03 C Shift Assignments>> C :: 177.397 CA :: 66.864 CB :: 68.213 CG2 :: 22.053 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 :: 8.163 HA :: 3.754 HB :: 4.188 HG21 :: 1.233 HG22 :: 1.233 HG23 :: 1.233 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 :: 111.624 Ave N Shift Values>> N :: 115.42(4.75) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.513 CA :: 62.130 CB :: 63.312 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.957 HA :: 4.215 HB2 :: 4.090 HB3 :: 4.029 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.372 Ave N Shift Values>> N :: 116.28(3.52) 1.W51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.48 HN Overlap>> 1.I128 1.I128 C Shift Assignments>> C :: 178.274 CA :: 63.279 CB :: 30.354 CD1 :: 125.472 CE3 :: 121.876 CZ2 :: 113.627 CZ3 :: 120.522 CH2 :: 122.238 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.235 HA :: 3.559 HB2 :: 3.279 HB3 :: 3.180 HD1 :: 6.895 HE1 :: 9.914 HE3 :: 6.963 HZ2 :: 6.797 HZ3 :: 6.576 HH2 :: 6.620 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 :: 125.149 NE1 :: 127.044 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.45 C Shift Assignments>> C :: 179.697 CA :: 58.608 CB :: 41.323 CG :: 26.657 CD1 :: 23.885 CD2 :: 23.296 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 :: 8.288 HA :: 3.909 HB2 :: 2.003 HB3 :: 1.356 HG :: 1.983 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 0.782 HD22 :: 0.782 HD23 :: 0.782 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.683 Ave N Shift Values>> N :: 121.86(3.9) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.38 R 0.02 HN Overlap>> 1.I35 1.I35 C Shift Assignments>> C :: 179.532 CA :: 57.678 CB :: 41.963 CG :: 26.481 CD1 :: 25.222 CD2 :: 22.829 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 :: 7.613 HA :: 3.849 HB2 :: 1.768 HB3 :: 1.397 HG :: 1.845 HD11 :: 0.982 HD12 :: 0.982 HD13 :: 0.982 HD21 :: 0.893 HD22 :: 0.893 HD23 :: 0.893 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 :: 118.581 Ave N Shift Values>> N :: 121.86(3.9) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.43 C 0.01 I 0.01 C Shift Assignments>> C :: 180.513 CA :: 54.024 CB :: 17.766 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.187 HA :: 2.940 HB1 :: 0.633 HB2 :: 0.633 HB3 :: 0.633 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.890 Ave N Shift Values>> N :: 123.23(3.54) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.36 I 0.04 C 0.03 C Shift Assignments>> C :: 179.769 CA :: 55.453 CB :: 18.280 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.264 HA :: 3.415 HB1 :: 0.781 HB2 :: 0.781 HB3 :: 0.781 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.322 Ave N Shift Values>> N :: 123.23(3.54) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.37 R 0.15 C Shift Assignments>> C :: 181.214 CA :: 59.480 CB :: 32.162 CG :: 25.866 CD :: 29.604 CE :: 42.031 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 :: 7.996 HA :: 4.273 HB2 :: 1.903 HB3 :: 1.864 HG2 :: 1.488 HG3 :: 1.655 HD2 :: 1.656 HD3 :: 1.640 HE2 :: 2.946 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 :: 117.946 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.678 CA :: 61.462 CB :: 62.560 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.981 HA :: 4.368 HB2 :: 4.123 HB3 :: 4.100 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 :: 118.822 Ave N Shift Values>> N :: 116.28(3.52) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.33 A 0.23 R 0.03 C Shift Assignments>> C :: 175.719 CA :: 54.182 CB :: 41.636 CG :: 25.812 CD1 :: 22.166 CD2 :: 26.410 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 :: 7.166 HA :: 4.392 HB2 :: 1.763 HB3 :: 1.619 HG :: 1.763 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 HD21 :: 0.599 HD22 :: 0.599 HD23 :: 0.599 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 :: 122.531 Ave N Shift Values>> N :: 121.86(3.9) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.19 E 0.14 K 0.06 Q 0.01 L 0.01 C Shift Assignments>> C :: 175.907 CA :: 57.582 CB :: 26.378 CG :: 36.625 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 :: 7.947 HA :: 3.823 HB2 :: 2.407 HB3 :: 2.265 HG2 :: 2.199 HG3 :: 2.140 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 :: 110.245 Ave N Shift Values>> N :: 120.67(3.48) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.17 A 0.11 G 0.01 C Shift Assignments>> C :: 176.084 CA :: 53.783 CB :: 42.251 CG :: 26.167 CD1 :: 24.742 CD2 :: 22.531 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 :: 7.206 HA :: 4.465 HB2 :: 1.404 HB3 :: 0.933 HG :: 1.497 HD11 :: 0.542 HD12 :: 0.542 HD13 :: 0.542 HD21 :: 0.541 HD22 :: 0.541 HD23 :: 0.541 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 :: 117.505 Ave N Shift Values>> N :: 121.86(3.9) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.34 R 0.12 HN Overlap>> 1.A79 1.A79 C Shift Assignments>> C :: 175.941 CA :: 55.150 CB :: 32.302 CG :: 24.451 CD :: 29.048 CE :: 41.941 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 :: 8.658 HA :: 4.476 HB2 :: 1.686 HB3 :: 1.541 HG2 :: 1.256 HG3 :: 1.340 HD2 :: 1.604 HD3 :: 1.586 HE2 :: 2.960 HE3 :: 2.934 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 :: 123.658 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 V 0.13 A 0.02 C Shift Assignments>> C :: 175.405 CA :: 58.259 CB :: 35.738 CG1 :: 23.201 CG2 :: 20.246 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 :: 8.058 HA :: 5.582 HB :: 1.945 HG11 :: 0.885 HG12 :: 0.885 HG13 :: 0.885 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 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 :: 118.315 Ave N Shift Values>> N :: 121.14(4.54) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.41 R 0.04 C Shift Assignments>> C :: 173.797 CA :: 55.787 CB :: 36.154 CG :: 24.254 CD :: 29.230 CE :: 41.859 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 :: 8.240 HA :: 4.462 HB2 :: 1.749 HB3 :: 1.681 HG2 :: 1.296 HG3 :: 1.296 HD2 :: 1.589 HD3 :: 1.587 HE2 :: 2.809 HE3 :: 2.889 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 :: 120.881 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.23 C 0.22 M 0.11 E 0.07 R 0.01 C Shift Assignments>> C :: 174.702 CA :: 54.809 CB :: 29.772 CG :: 33.960 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 :: 9.010 HA :: 5.028 HB2 :: 1.975 HB3 :: 1.720 HG2 :: 2.141 HG3 :: 2.119 HE21 :: 7.134 HE22 :: 6.605 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.735 NE2 :: 110.366 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.21 C Shift Assignments>> C :: 174.104 CA :: 59.633 CB :: 35.858 CG1 :: 19.980 CG2 :: 22.263 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 :: 9.213 HA :: 4.704 HB :: 2.108 HG11 :: 0.798 HG12 :: 0.798 HG13 :: 0.798 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.546 Ave N Shift Values>> N :: 121.14(4.54) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.35 R 0.06 C Shift Assignments>> C :: 176.706 CA :: 54.924 CB :: 32.965 CG :: 24.776 CD :: 29.149 CE :: 41.652 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 :: 8.441 HA :: 5.031 HB2 :: 1.597 HB3 :: 1.706 HG2 :: 1.038 HG3 :: 1.241 HD2 :: 1.569 HD3 :: 1.567 HE2 :: 2.805 HE3 :: 2.805 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 :: 124.039 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.34 R 0.09 G 0.02 A 0.01 C Shift Assignments>> C :: 176.977 CA :: 53.047 CB :: 36.680 CG :: 24.765 CD :: 28.798 CE :: 41.932 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 :: 7.705 HA :: 4.943 HB2 :: 1.554 HB3 :: 1.625 HG2 :: 1.279 HG3 :: 1.220 HD2 :: 1.897 HD3 :: 1.475 HE2 :: 2.811 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 :: 122.232 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 176.340 CA :: 61.698 CB :: 69.668 CG2 :: 22.918 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 :: 8.315 HA :: 4.601 HB :: 4.613 HG1 :: 8.120 HG21 :: 1.357 HG22 :: 1.357 HG23 :: 1.357 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.829 Ave N Shift Values>> N :: 115.42(4.75) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 177.481 CA :: 64.753 CB :: 38.034 CG1 :: 29.950 CG2 :: 16.878 CD1 :: 14.359 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 :: 8.891 HA :: 3.594 HB :: 1.951 HG12 :: 1.102 HG13 :: 1.634 HG21 :: 0.980 HG22 :: 0.980 HG23 :: 0.980 HD11 :: 0.952 HD12 :: 0.952 HD13 :: 0.952 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 :: 120.309 Ave N Shift Values>> N :: 121.46(4.28) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.19 Y 0.18 L 0.14 N 0.1 C 0.1 I 0.02 K 0.01 HN Overlap>> 1.A18 1.E97 1.A18 1.E97 C Shift Assignments>> C :: 177.322 CA :: 55.758 CB :: 40.014 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 :: 8.700 HA :: 4.398 HB2 :: 2.709 HB3 :: 2.709 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 :: 118.224 Ave N Shift Values>> N :: 120.65(3.86) 1.R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 R 0.31 C 0.29 L 0.05 C Shift Assignments>> C :: 178.337 CA :: 55.089 CB :: 29.675 CG :: 26.202 CD :: 42.165 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 :: 7.606 HA :: 4.537 HB2 :: 1.826 HB3 :: 2.235 HG2 :: 1.680 HG3 :: 1.852 HD2 :: 3.152 HD3 :: 3.152 HE :: 7.239 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 :: 116.055 NE :: 85.562 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.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.39 A 0.03 R 0.01 HN Overlap>> 1.A98 1.A98 C Shift Assignments>> C :: 176.363 CA :: 56.596 CB :: 40.832 CG :: 25.952 CD1 :: 22.591 CD2 :: 26.553 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 :: 7.669 HA :: 4.017 HB2 :: 1.235 HB3 :: 1.920 HG :: 1.808 HD11 :: 0.625 HD12 :: 0.625 HD13 :: 0.625 HD21 :: 0.503 HD22 :: 0.503 HD23 :: 0.503 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 :: 119.208 Ave N Shift Values>> N :: 121.86(3.9) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 C 0.16 Y 0.14 F 0.11 D 0.09 E 0.05 L 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 174.638 CA :: 54.618 CB :: 38.027 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 :: 7.554 HA :: 4.196 HB2 :: 2.129 HB3 :: 2.130 HD21 :: 6.593 HD22 :: 7.123 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 :: 113.203 ND2 :: 112.308 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 C 0.31 HN Overlap>> 1.H26 1.H26 C Shift Assignments>> C :: 175.816 CA :: 57.109 CB :: 39.792 CD1 :: 131.802 CD2 :: 131.802 CE1 :: 131.607 CE2 :: 131.607 CZ :: 129.736 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 :: 7.459 HA :: 4.762 HB2 :: 2.748 HB3 :: 3.505 HD1 :: 7.193 HD2 :: 7.193 HE1 :: 7.363 HE2 :: 7.363 HZ :: 7.294 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 :: 115.251 Ave N Shift Values>> N :: 120.45(4.18) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 175.458 CA :: 60.104 CB :: 40.083 CG1 :: 25.261 CG2 :: 17.833 CD1 :: 15.349 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 :: 6.855 HA :: 4.611 HB :: 1.976 HG12 :: 1.316 HG13 :: 1.240 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 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 :: 112.876 Ave N Shift Values>> N :: 121.46(4.28) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.567 CA :: 58.528 CB :: 63.491 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.279 HA :: 4.431 HB2 :: 3.934 HB3 :: 3.886 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 :: 118.417 Ave N Shift Values>> N :: 116.28(3.52) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.17 A 0.06 G 0.05 R 0.05 C Shift Assignments>> CA :: 52.205 CB :: 42.561 CG :: 26.383 CD1 :: 23.607 CD2 :: 26.373 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 :: 8.117 HA :: 4.393 HB2 :: 1.335 HB3 :: 1.524 HG :: 1.690 HD11 :: 0.720 HD12 :: 0.720 HD13 :: 0.720 HD21 :: 0.777 HD22 :: 0.777 HD23 :: 0.777 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 :: 124.505 Ave N Shift Values>> N :: 121.86(3.9) 1.P78 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.97 A 0.01 C Shift Assignments>> C :: 175.740 CA :: 61.593 CB :: 35.839(S) CG :: 24.227 CD :: 51.138 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 :: 5.033 HB2 :: 2.058 HB3 :: 1.561 HG2 :: 0.947 HG3 :: 1.139 HD2 :: 3.409 HD3 :: 3.148 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.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.18 A 0.1 K 0.09 P 0.03 HN Overlap>> 1.K61 1.K61 C Shift Assignments>> C :: 174.778 CA :: 51.003 CB :: 23.787 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.576 HA :: 5.001 HB1 :: 1.494 HB2 :: 1.494 HB3 :: 1.494 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.592 Ave N Shift Values>> N :: 123.23(3.54) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.32 C 0.17 R 0.01 C Shift Assignments>> C :: 173.929 CA :: 54.270 CB :: 45.037 CG :: 26.817 CD1 :: 26.488 CD2 :: 24.596 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 :: 8.637 HA :: 4.605 HB2 :: 0.912 HB3 :: 1.768 HG :: 1.019 HD11 :: 0.016 HD12 :: 0.016 HD13 :: 0.016 HD21 :: 0.606 HD22 :: 0.606 HD23 :: 0.606 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 :: 122.752 Ave N Shift Values>> N :: 121.86(3.9) 1.V81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 173.042 CA :: 63.179 CB :: 30.122 CG1 :: 21.663 CG2 :: 23.644 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 :: 8.962 HA :: 4.011 HB :: 0.747(S) HG11 :: 0.777 HG12 :: 0.777 HG13 :: 0.777 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.717 Ave N Shift Values>> N :: 121.14(4.54) 1.W82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.59 C 0.4 C Shift Assignments>> C :: 176.806 CA :: 55.315 CB :: 30.109 CD1 :: 125.383 CE3 :: 118.866 CZ2 :: 113.443 CZ3 :: 120.452 CH2 :: 124.217 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 :: 7.036 HA :: 4.450 HB2 :: 2.295 HB3 :: 2.723 HD1 :: 6.709 HE1 :: 9.989 HE3 :: 5.998 HZ2 :: 7.357 HZ3 :: 5.294(S) HH2 :: 6.823 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 :: 128.424 NE1 :: 127.927 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> K 0.52 C 0.39 R 0.06 G 0.01 C Shift Assignments>> C :: 178.070 CA :: 54.744 CB :: 34.549 CG :: 28.836 CD :: 42.208 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 :: 10.817(S) HA :: 4.816 HB2 :: 1.001 HB3 :: 1.844 HG2 :: 1.484 HG3 :: 1.482 HD2 :: 3.478 HD3 :: 3.559 HE :: 7.664 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 :: 133.869(S) NE :: 83.012 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.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.11 K 0.07 Q 0.04 M 0.02 C Shift Assignments>> C :: 176.983 CA :: 58.528 CB :: 29.489 CG :: 36.320 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 :: 9.195 HA :: 4.093 HB2 :: 2.155 HB3 :: 2.077 HG2 :: 2.443 HG3 :: 2.382 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.899 Ave N Shift Values>> N :: 120.67(3.48) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.28 L 0.09 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 176.840 CA :: 52.767 CB :: 39.788 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.715 HA :: 4.464 HB2 :: 2.628 HB3 :: 3.066 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 :: 114.993 Ave N Shift Values>> N :: 120.65(3.86) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.26 R 0.16 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 174.043 CA :: 44.350 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.562 HA2 :: 3.019 HA3 :: 4.033 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.512 Ave N Shift Values>> N :: 109.67(3.87) 1.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.23 R 0.14 G 0.11 K 0.02 C Shift Assignments>> C :: 174.811 CA :: 54.129 CB :: 26.737 CG :: 27.257 CD :: 43.412 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 :: 7.493 HA :: 3.987 HB2 :: 1.547 HB3 :: 1.551 HG2 :: 1.210 HG3 :: 1.177 HD2 :: 3.015 HD3 :: 3.073 HE :: 7.281 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 :: 123.190 NE :: 85.623 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.H88 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> C 0.46 H 0.28 W 0.25 C Shift Assignments>> C :: 174.018 CA :: 54.633 CB :: 31.742 CD2 :: 116.099 CE1 :: 140.548 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 :: 6.248 HA :: 4.483 HB2 :: 2.089 HB3 :: 3.250 HD2 :: 5.948 HE1 :: 5.889(S) HE2 :: 10.139 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.767 ND1 :: 248.062(A) NE2 :: 161.262(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> C :: 172.738 CA :: 56.475 CB :: 40.939 CD1 :: 132.976 CD2 :: 132.976 CE1 :: 130.872 CE2 :: 130.872 CZ :: 128.781 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 :: 7.767 HA :: 5.038 HB2 :: 3.129 HB3 :: 3.553 HD1 :: 7.070 HD2 :: 7.070 HE1 :: 7.177 HE2 :: 7.177 HZ :: 6.763 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 :: 110.140 Ave N Shift Values>> N :: 120.45(4.18) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.47 C Shift Assignments>> C :: 175.243 CA :: 60.079 CB :: 40.845 CG1 :: 29.497 CG2 :: 18.026 CD1 :: 14.138 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 :: 8.171 HA :: 4.786 HB :: 2.058 HG12 :: 1.020 HG13 :: 1.757 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 HD11 :: 0.894 HD12 :: 0.894 HD13 :: 0.894 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 :: 119.330 Ave N Shift Values>> N :: 121.46(4.28) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 G 0.3 C 0.23 R 0.1 A 0.02 C Shift Assignments>> C :: 174.658 CA :: 54.542 CB :: 44.352 CG :: 27.217 CD1 :: 23.554 CD2 :: 26.546 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 :: 9.289 HA :: 4.977 HB2 :: 1.296 HB3 :: 1.951 HG :: 1.546 HD11 :: 1.082 HD12 :: 1.082 HD13 :: 1.082 HD21 :: 0.770 HD22 :: 0.770 HD23 :: 0.770 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 :: 130.139 Ave N Shift Values>> N :: 121.86(3.9) 1.T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.397 CA :: 63.737 CB :: 68.958 CG2 :: 22.840 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 :: 9.346 HA :: 4.322 HB :: 4.046 HG1 :: 7.362 HG21 :: 1.095 HG22 :: 1.095 HG23 :: 1.095 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 :: 120.790 Ave N Shift Values>> N :: 115.42(4.75) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.27 R 0.19 C Shift Assignments>> C :: 173.346 CA :: 57.286 CB :: 36.568 CG :: 25.276 CD :: 29.321 CE :: 42.036 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 :: 7.888 HA :: 4.286 HB2 :: 1.833 HB3 :: 1.643 HG2 :: 1.172 HG3 :: 1.380 HD2 :: 1.593 HD3 :: 1.586 HE2 :: 2.906 HE3 :: 2.908 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 :: 120.981 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 175.128 CA :: 61.442 CB :: 33.552 CG1 :: 21.178 CG2 :: 20.541 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 :: 8.473 HA :: 3.932 HB :: 1.717 HG11 :: 0.667 HG12 :: 0.667 HG13 :: 0.667 HG21 :: 0.414 HG22 :: 0.414 HG23 :: 0.414 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 :: 125.177 Ave N Shift Values>> N :: 121.14(4.54) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.182 CA :: 56.512 CB :: 63.045 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.125 HA :: 4.551 HB2 :: 3.655 HB3 :: 3.769 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 :: 122.325 Ave N Shift Values>> N :: 116.28(3.52) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.09 HN Overlap>> 1.L106 1.L106 C Shift Assignments>> C :: 178.338 CA :: 58.875 CB :: 32.264 CG :: 24.732 CD :: 29.013 CE :: 41.900 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 :: 8.719 HA :: 3.923 HB2 :: 1.732 HB3 :: 1.733 HG2 :: 1.363 HG3 :: 1.347 HD2 :: 1.600 HD3 :: 1.598 HE2 :: 2.949 HE3 :: 2.951 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 :: 126.743 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.35 I 0.16 K 0.08 Q 0.03 HN Overlap>> 1.D70 1.D70 C Shift Assignments>> C :: 176.553 CA :: 58.342 CB :: 28.780 CG :: 36.456 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 :: 8.727 HA :: 4.065 HB2 :: 1.915 HB3 :: 1.976 HG2 :: 2.255 HG3 :: 2.236 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.261 Ave N Shift Values>> N :: 120.67(3.48) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C 0.01 HN Overlap>> 1.L72 1.L72 C Shift Assignments>> C :: 175.828 CA :: 51.451 CB :: 18.912 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.588 HA :: 4.205 HB1 :: 1.256 HB2 :: 1.256 HB3 :: 1.256 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.239 Ave N Shift Values>> N :: 123.23(3.54) 1.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.15 Y 0.09 D 0.07 F 0.07 E 0.05 M 0.03 L 0.01 HN Overlap>> 1.R38 1.R38 C Shift Assignments>> C :: 173.502 CA :: 53.688 CB :: 37.718 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 :: 7.761 HA :: 4.310 HB2 :: 3.013 HB3 :: 2.876 HD21 :: 6.861 HD22 :: 7.484 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.596 ND2 :: 112.209 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.2 R 0.16 K 0.09 C Shift Assignments>> C :: 174.128 CA :: 54.830 CB :: 34.787 CG :: 27.954 CD :: 43.680 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 :: 7.155 HA :: 4.922 HB2 :: 1.344 HB3 :: 1.525 HG2 :: 1.430 HG3 :: 1.557 HD2 :: 2.993 HD3 :: 2.995 HE :: 7.598 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 :: 114.976 NE :: 85.515 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.Y101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.29 C Shift Assignments>> C :: 173.566 CA :: 57.403 CB :: 40.666 CD1 :: 132.090 CD2 :: 132.090 CE1 :: 116.991 CE2 :: 116.991 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 :: 8.892 HA :: 4.413 HB2 :: 2.181 HB3 :: 2.523 HD1 :: 6.292 HD2 :: 6.292 HE1 :: 6.163 HE2 :: 6.163 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 :: 121.135 Ave N Shift Values>> N :: 120.52(4.2) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.29 R 0.27 G 0.02 A 0.01 C Shift Assignments>> C :: 175.806 CA :: 55.082 CB :: 42.553 CG :: 28.484 CD1 :: 25.996 CD2 :: 23.757 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 :: 9.051 HA :: 5.009 HB2 :: 1.434 HB3 :: 1.890 HG :: 1.555 HD11 :: 0.837 HD12 :: 0.837 HD13 :: 0.837 HD21 :: 0.840 HD22 :: 0.840 HD23 :: 0.840 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 :: 126.938 Ave N Shift Values>> N :: 121.86(3.9) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 I 0.27 G 0.03 A 0.03 C Shift Assignments>> C :: 176.382 CA :: 58.288 CB :: 42.520 CG1 :: 26.258 CG2 :: 18.321 CD1 :: 14.301 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 :: 9.034 HA :: 5.804 HB :: 2.219 HG12 :: 1.015 HG13 :: 1.217 HG21 :: 1.062 HG22 :: 1.062 HG23 :: 1.062 HD11 :: 0.454 HD12 :: 0.454 HD13 :: 0.454 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 :: 118.361 Ave N Shift Values>> N :: 121.46(4.28) 1.F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.26 C Shift Assignments>> C :: 173.852 CA :: 59.707 CB :: 40.962 CD1 :: 130.858 CD2 :: 130.858 CE1 :: 131.210 CE2 :: 131.210 CZ :: 129.736 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 :: 9.744 HA :: 4.540 HB2 :: 2.845 HB3 :: 2.999 HD1 :: 6.913 HD2 :: 6.913 HE1 :: 7.247 HE2 :: 7.247 HZ :: 7.117 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 :: 123.945 Ave N Shift Values>> N :: 120.45(4.18) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.2 R 0.2 K 0.09 F 0.04 C 0.04 Y 0.02 G 0.02 N 0.02 C Shift Assignments>> C :: 176.165 CA :: 53.898 CB :: 42.849 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.637 HA :: 4.499 HB2 :: 2.040 HB3 :: 2.942 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 :: 128.631 Ave N Shift Values>> N :: 120.65(3.86) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 L 0.36 R 0.17 K 0.02 HN Overlap>> 1.L129 1.K96 1.L129 1.K96 C Shift Assignments>> C :: 176.185 CA :: 56.793 CB :: 41.714 CG :: 27.917 CD1 :: 27.129 CD2 :: 23.708 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 :: 8.751 HA :: 4.199 HB2 :: 1.913 HB3 :: 1.823 HG :: 2.034 HD11 :: 1.086 HD12 :: 1.086 HD13 :: 1.086 HD21 :: 0.901 HD22 :: 0.901 HD23 :: 0.901 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 :: 126.791 Ave N Shift Values>> N :: 121.86(3.9) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.07 K 0.06 M 0.05 Q 0.05 C Shift Assignments>> C :: 178.661 CA :: 58.373 CB :: 30.067 CG :: 36.180 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 :: 8.148 HA :: 4.063 HB2 :: 2.073 HB3 :: 1.918 HG2 :: 1.921 HG3 :: 2.114 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.101 Ave N Shift Values>> N :: 120.67(3.48) 1.Q108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.28 C 0.23 E 0.07 M 0.04 R 0.04 C Shift Assignments>> C :: 175.655 CA :: 55.969 CB :: 29.089 CG :: 33.864 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 :: 8.371 HA :: 4.026 HB2 :: 1.432 HB3 :: 2.167 HG2 :: 2.350 HG3 :: 2.243 HE21 :: 7.404 HE22 :: 6.627 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 :: 116.441 NE2 :: 111.089 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 G 0.2 L 0.19 R 0.14 K 0.01 C Shift Assignments>> C :: 174.842 CA :: 57.182 CB :: 27.031 CG :: 27.945 CD :: 44.069 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 :: 7.979 HA :: 3.766 HB2 :: 2.056 HB3 :: 2.187 HG2 :: 1.707 HG3 :: 1.441 HD2 :: 3.145 HD3 :: 3.191 HE :: 7.157 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 :: 115.526 NE :: 85.368 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.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.25 G 0.17 R 0.12 C 0.05 N 0.05 K 0.03 F 0.02 Y 0.01 C Shift Assignments>> CA :: 51.078 CB :: 42.866 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 :: 7.110 HA :: 5.024 HB2 :: 2.669 HB3 :: 2.398 HD21 :: 7.113 HD22 :: 6.875 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 :: 114.676 ND2 :: 111.987 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.54 C 0.45 C Shift Assignments>> C :: 176.290 CA :: 61.965 CB :: 32.713 CG :: 27.554 CD :: 51.309 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 :: 5.414 HB2 :: 2.410 HB3 :: 1.970 HG2 :: 2.144 HG3 :: 2.173 HD2 :: 3.914 HD3 :: 3.818 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.R112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 G 0.35 R 0.08 C Shift Assignments>> C :: 173.364 CA :: 55.917 CB :: 34.971 CG :: 27.256 CD :: 44.353 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 :: 8.664 HA :: 4.549 HB2 :: 1.722 HB3 :: 1.471 HG2 :: 1.453 HG3 :: 1.416 HD2 :: 3.167 HD3 :: 2.977 HE :: 7.732 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 :: 119.268 NE :: 84.274 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.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 175.466 CA :: 61.730 CB :: 32.746 CG1 :: 21.816 CG2 :: 21.624 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 :: 8.532 HA :: 4.590 HB :: 1.950 HG11 :: 0.915 HG12 :: 0.915 HG13 :: 0.915 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.967 Ave N Shift Values>> N :: 121.14(4.54) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.28 C 0.17 R 0.05 A 0.03 C Shift Assignments>> C :: 177.339 CA :: 53.461 CB :: 44.714 CG :: 27.561 CD1 :: 26.884 CD2 :: 23.451 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 :: 9.453 HA :: 4.875 HB2 :: 1.730 HB3 :: 1.903 HG :: 1.620 HD11 :: 0.647 HD12 :: 0.647 HD13 :: 0.647 HD21 :: 0.631 HD22 :: 0.631 HD23 :: 0.631 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 :: 128.287 Ave N Shift Values>> N :: 121.86(3.9) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.31 M 0.15 Q 0.06 K 0.04 I 0.01 C Shift Assignments>> C :: 177.910 CA :: 55.343 CB :: 30.522 CG :: 36.180 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.033 HA :: 4.749 HB2 :: 2.513 HB3 :: 1.964 HG2 :: 2.428 HG3 :: 2.514 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 :: 120.302 Ave N Shift Values>> N :: 120.67(3.48) 1.Q116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.17 P 0.14 Q 0.1 R 0.06 I 0.03 M 0.01 C Shift Assignments>> C :: 177.886 CA :: 61.144 CB :: 28.394 CG :: 33.053 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 :: 8.986 HA :: 3.970 HB2 :: 2.242 HB3 :: 2.600 HG2 :: 2.430 HG3 :: 2.455 HE21 :: 6.720 HE22 :: 7.857 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 :: 123.157 NE2 :: 111.619 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.159 CA :: 61.387 CB :: 61.908 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.960 HA :: 4.254 HB2 :: 3.956 HB3 :: 3.921 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 :: 112.281 Ave N Shift Values>> N :: 116.28(3.52) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.38 M 0.07 I 0.06 K 0.01 C Shift Assignments>> C :: 178.487 CA :: 58.314 CB :: 30.821 CG :: 36.963 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 :: 7.068 HA :: 4.149 HB2 :: 2.001 HB3 :: 2.347 HG2 :: 2.345 HG3 :: 2.212 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.350 Ave N Shift Values>> N :: 120.67(3.48) 1.F119 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 :: 177.156 CA :: 62.233 CB :: 39.574 CD1 :: 130.737 CD2 :: 130.737 CE1 :: 130.059 CE2 :: 130.059 CZ :: 128.188 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 :: 8.298 HA :: 3.809 HB2 :: 2.524 HB3 :: 2.521 HD1 :: 6.489 HD2 :: 6.489 HE1 :: 6.715 HE2 :: 6.715 HZ :: 6.465 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 :: 119.673 Ave N Shift Values>> N :: 120.45(4.18) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 I 0.29 E 0.23 K 0.01 C Shift Assignments>> C :: 177.602 CA :: 59.780 CB :: 29.656 CG :: 37.471 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 :: 8.903 HA :: 3.735 HB2 :: 2.061 HB3 :: 2.133 HG2 :: 2.277 HG3 :: 2.522 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.644 Ave N Shift Values>> N :: 120.67(3.48) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.28 C 0.02 C Shift Assignments>> C :: 178.838 CA :: 53.814 CB :: 18.508 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.060 HA :: 4.215 HB1 :: 1.479 HB2 :: 1.479 HB3 :: 1.479 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.194 Ave N Shift Values>> N :: 123.23(3.54) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.22 C 0.19 A 0.08 C Shift Assignments>> C :: 177.329 CA :: 54.735 CB :: 45.136 CG :: 26.565 CD1 :: 22.284 CD2 :: 24.928 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 :: 7.198 HA :: 4.290 HB2 :: 1.533 HB3 :: 1.481 HG :: 1.628 HD11 :: 0.654 HD12 :: 0.654 HD13 :: 0.654 HD21 :: 0.433 HD22 :: 0.433 HD23 :: 0.433 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.Y123 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 :: 175.620 CA :: 59.534 CB :: 39.133 CD1 :: 132.991 CD2 :: 132.991 CE1 :: 118.016 CE2 :: 118.016 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 :: 7.959 HA :: 3.951 HB2 :: 2.030 HB3 :: 2.497 HD1 :: 7.045 HD2 :: 7.045 HE1 :: 6.858 HE2 :: 6.858 HH :: 8.996 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 :: 120.436 Ave N Shift Values>> N :: 120.52(4.2) 1.Q124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.23 C 0.22 E 0.11 M 0.07 R 0.01 C Shift Assignments>> CA :: 54.739 CB :: 29.532 CG :: 34.354 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 :: 7.277 HA :: 4.609 HB2 :: 2.410 HB3 :: 1.810 HG2 :: 2.221 HG3 :: 2.290 HE21 :: 7.335 HE22 :: 7.027 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.324 NE2 :: 111.178 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G125 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 172.418 CA :: 46.302 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 4.930(S) HA2 :: 3.397 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 :: 102.962 Ave N Shift Values>> N :: 109.67(3.87) 1.H126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 C 0.31 W 0.29 C Shift Assignments>> C :: 174.201 CA :: 54.721 CB :: 32.741 CD2 :: 120.128 CE1 :: 137.399 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.305 HA :: 5.337 HB2 :: 3.036 HB3 :: 3.080 HD2 :: 7.013 HE1 :: 8.074 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 :: 116.571 ND1 :: 197.049 NE2 :: 184.343 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 I 0.19 G 0.08 A 0.01 C Shift Assignments>> C :: 172.278 CA :: 58.865 CB :: 43.110 CG1 :: 28.231 CG2 :: 17.573 CD1 :: 15.089 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 :: 9.125 HA :: 5.131 HB :: 1.867 HG12 :: 1.176 HG13 :: 1.454 HG21 :: 0.833 HG22 :: 0.833 HG23 :: 0.833 HD11 :: 0.781 HD12 :: 0.781 HD13 :: 0.781 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 :: 124.227 Ave N Shift Values>> N :: 121.46(4.28) 1.I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 HN Overlap>> 1.W51 1.W51 C Shift Assignments>> C :: 175.166 CA :: 60.188 CB :: 38.841 CG1 :: 28.065 CG2 :: 18.103 CD1 :: 13.482 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 :: 9.202 HA :: 4.793 HB :: 1.653 HG12 :: 1.199 HG13 :: 0.653 HG21 :: 0.729 HG22 :: 0.729 HG23 :: 0.729 HD11 :: 0.146 HD12 :: 0.146 HD13 :: 0.146 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 :: 125.053 Ave N Shift Values>> N :: 121.46(4.28) 1.L129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.17 R 0.09 G 0.04 A 0.02 HN Overlap>> 1.L106 1.L106 C Shift Assignments>> C :: 177.045 CA :: 53.308 CB :: 42.705 CG :: 26.858 CD1 :: 26.400 CD2 :: 23.907 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 :: 8.779 HA :: 4.926 HB2 :: 1.509 HB3 :: 1.749 HG :: 1.719 HD11 :: 0.904 HD12 :: 0.904 HD13 :: 0.904 HD21 :: 0.901 HD22 :: 0.901 HD23 :: 0.901 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 :: 126.842 Ave N Shift Values>> N :: 121.86(3.9) 1.I130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 I 0.16 C Shift Assignments>> C :: 174.422 CA :: 60.073 CB :: 40.905 CG1 :: 28.719 CG2 :: 19.851 CD1 :: 16.514 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 :: 8.783 HA :: 4.882 HB :: 1.875 HG12 :: 1.602 HG13 :: 1.233 HG21 :: 0.634 HG22 :: 0.634 HG23 :: 0.634 HD11 :: 0.986 HD12 :: 0.986 HD13 :: 0.986 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 :: 119.678 Ave N Shift Values>> N :: 121.46(4.28) 1.A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 L 0.25 C 0.1 C Shift Assignments>> C :: 175.288 CA :: 50.738 CB :: 22.234 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.859 HA :: 4.498 HB1 :: 1.403 HB2 :: 1.403 HB3 :: 1.403 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.248 Ave N Shift Values>> N :: 123.23(3.54) 1.S132 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.882 CA :: 57.557 CB :: 64.718 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.478 HA :: 4.600 HB2 :: 3.805 HB3 :: 4.085 HG :: 8.937(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.898 Ave N Shift Values>> N :: 116.28(3.52) 1.R133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.41 G 0.07 K 0.05 C Shift Assignments>> C :: 177.006 CA :: 57.267 CB :: 30.611 CG :: 27.480 CD :: 43.508 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 :: 8.769 HA :: 4.326 HB2 :: 1.822 HB3 :: 1.920 HG2 :: 1.655 HG3 :: 1.693 HD2 :: 3.209 HD3 :: 3.209 HE :: 7.241 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 :: 122.019 NE :: 84.642 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.S134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.994 CA :: 58.864 CB :: 63.641 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.437 HA :: 4.466 HB2 :: 3.928 HB3 :: 3.868 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.832 Ave N Shift Values>> N :: 116.28(3.52) 1.S135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D42 1.D42 C Shift Assignments>> C :: 175.029 CA :: 58.905 CB :: 63.634 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.392 HA :: 4.481 HB2 :: 3.990 HB3 :: 3.943 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 :: 118.547 Ave N Shift Values>> N :: 116.28(3.52) 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.126 CA :: 62.513 CB :: 32.561 CG1 :: 20.514 CG2 :: 21.200 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 :: 8.064 HA :: 4.138 HB :: 2.117 HG11 :: 0.944 HG12 :: 0.944 HG13 :: 0.944 HG21 :: 0.942 HG22 :: 0.942 HG23 :: 0.942 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 :: 121.275 Ave N Shift Values>> N :: 121.14(4.54) 1.A137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.01 C Shift Assignments>> C :: 178.271 CA :: 52.791 CB :: 19.213 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.200 HA :: 4.309 HB1 :: 1.406 HB2 :: 1.406 HB3 :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.464 Ave N Shift Values>> N :: 123.23(3.54) 1.G138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 174.198 CA :: 45.359 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.219 HA2 :: 3.934 HA3 :: 3.934 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.877 Ave N Shift Values>> N :: 109.67(3.87) 1.K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.39 R 0.11 C Shift Assignments>> C :: 176.522 CA :: 56.247 CB :: 33.116 CG :: 24.710 CD :: 29.065 CE :: 42.123 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 :: 8.055 HA :: 4.319 HB2 :: 1.738 HB3 :: 1.841 HG2 :: 1.389 HG3 :: 1.434 HD2 :: 1.674 HD3 :: 1.674 HE2 :: 2.992 HE3 :: 2.992 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 :: 120.517 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.26 R 0.04 A 0.01 G 0.01 C Shift Assignments>> C :: 176.745 CA :: 54.982 CB :: 42.348 CG :: 26.971 CD1 :: 25.036 CD2 :: 23.551 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 :: 8.194 HA :: 4.324 HB2 :: 1.549 HB3 :: 1.618 HG :: 1.588 HD11 :: 0.874 HD12 :: 0.874 HD13 :: 0.874 HD21 :: 0.814 HD22 :: 0.814 HD23 :: 0.814 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 :: 122.935 Ave N Shift Values>> N :: 121.86(3.9) 1.A141 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>> C :: 176.395 CA :: 52.271 CB :: 19.304 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.132 HA :: 4.319 HB1 :: 1.371 HB2 :: 1.371 HB3 :: 1.371 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.443 Ave N Shift Values>> N :: 123.23(3.54) 1.K142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.45 R 0.07 C Shift Assignments>> CA :: 57.634 CB :: 33.779 CG :: 24.712 CD :: 29.119 CE :: 42.072 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 :: 7.807 HA :: 4.124 HB2 :: 1.802 HB3 :: 1.697 HG2 :: 1.381 HG3 :: 1.381 HD2 :: 1.664 HD3 :: 1.664 HE2 :: 2.978 HE3 :: 2.976 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 :: 125.808 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 133 #Clerical: 0 #Suspicious: 6 #Anomalous: 2 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 141 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 142 #Suspicious: 0 C Shift Results: #Consistent: 656 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1060 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 165 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 3 Error Summary: 1.H26 ND1 = 234.471(A), Expected = 195.02, Std = 18.5100, ChiSquare = 3.3062e-02 1.L48 HD21 = -0.510(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9040e-05 1.L48 HD22 = -0.510(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9040e-05 1.L48 HD23 = -0.510(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9040e-05 1.P78 Typing: Mistyped 1.P78 CB = 35.839(S), Expected = 31.85, Std = 1.1800, ChiSquare = 7.2352e-04 1.V81 HB = 0.747(S), Expected = 1.98, Std = 0.3200, ChiSquare = 1.1662e-04 1.W82 HZ3 = 5.294(S), Expected = 6.86, Std = 0.4000, ChiSquare = 9.0404e-05 1.R83 H = 10.817(S), Expected = 8.24, Std = 0.6100, ChiSquare = 2.3938e-05 1.R83 N = 133.869(S), Expected = 120.80, Std = 3.6800, ChiSquare = 3.8325e-04 1.H88 HE1 = 5.889(S), Expected = 7.95, Std = 0.4800, ChiSquare = 1.7568e-05 1.H88 ND1 = 248.062(A), Expected = 195.02, Std = 18.5100, ChiSquare = 4.1624e-03 1.H88 NE2 = 161.262(A), Expected = 182.41, Std = 14.4000, ChiSquare = 1.4194e-01 1.G125 H = 4.930(S), Expected = 8.33, Std = 0.6500, ChiSquare = 1.6881e-07 1.S132 HG = 8.937(S), Expected = 5.36, Std = 1.0300, ChiSquare = 5.1503e-04