Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.39 E 0.38 M 0.11 I 0.06 K 0.02 Q 0.01 C Shift Assignments>> CA :: 57.285 CB :: 31.010 CG :: 36.896 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> HA :: 4.264 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) 1.Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 E 0.21 Q 0.21 M 0.15 K 0.13 I 0.01 R 0.01 C Shift Assignments>> CA :: 56.735 CB :: 30.423 CG :: 34.569 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.479 HA :: 4.226 HB2 :: 1.998 HB3 :: 1.905 HG2 :: 2.267 HG3 :: 2.267 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.673 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.36 M 0.1 I 0.07 K 0.01 C Shift Assignments>> C :: 174.477 CA :: 57.541 CB :: 31.273 CG :: 37.164 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.499 HA :: 4.249 HB2 :: 1.960 HB3 :: 1.851 HG2 :: 2.176 HG3 :: 2.176 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.993 Ave N Shift Values>> N :: 120.68(3.68) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 172.200 CA :: 62.691 CB :: 70.642 CG2 :: 22.300 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.230 HA :: 4.219 HB :: 4.051 HG21 :: 1.098 HG22 :: 1.098 HG23 :: 1.098 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.606 Ave N Shift Values>> N :: 115.7(5.05) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.26 R 0.25 G 0.04 K 0.01 C Shift Assignments>> C :: 174.771 CA :: 55.442 CB :: 43.015 CG :: 27.933 CD1 :: 26.356 CD2 :: 23.832 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.241 HA :: 4.350 HB2 :: 1.534 HB3 :: 1.394 HG :: 1.521 HD11 :: 0.790 HD12 :: 0.790 HD13 :: 0.790 HD21 :: 0.804 HD22 :: 0.804 HD23 :: 0.804 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.283 Ave N Shift Values>> N :: 121.98(4.07) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.34 M 0.12 I 0.06 C Shift Assignments>> C :: 173.178 CA :: 57.549 CB :: 31.700 CG :: 37.143 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.513 HA :: 4.151 HB2 :: 1.883 HB3 :: 1.883 HG2 :: 2.179 HG3 :: 2.042 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.485 Ave N Shift Values>> N :: 120.68(3.68) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 M 0.31 E 0.22 Q 0.06 K 0.01 C Shift Assignments>> C :: 173.526 CA :: 55.592 CB :: 32.294 CG :: 35.396 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.351 HA :: 5.048 HB2 :: 1.853 HB3 :: 1.674 HG2 :: 2.183 HG3 :: 2.095 HE21 :: 7.311 HE22 :: 6.740 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.062 NE2 :: 112.122 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.39 I 0.01 C Shift Assignments>> C :: 173.649 CA :: 61.962 CB :: 35.553 CG1 :: 22.252 CG2 :: 21.153 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.321 HA :: 4.328 HB :: 1.913 HG11 :: 0.848 HG12 :: 0.848 HG13 :: 0.848 HG21 :: 0.857 HG22 :: 0.857 HG23 :: 0.857 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.513 Ave N Shift Values>> N :: 121.02(4.96) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 R 0.14 E 0.14 C 0.13 H 0.12 Q 0.09 M 0.08 K 0.07 V 0.02 I 0.02 C Shift Assignments>> C :: 173.602 CA :: 57.780 CB :: 30.748 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.432 HA :: 4.548 HB2 :: 3.158 HB3 :: 3.103 HD2 :: 6.867 HE1 :: 7.790 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 128.907 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.26 L 0.2 G 0.08 R 0.08 C Shift Assignments>> C :: 174.156 CA :: 55.838 CB :: 43.318 CD1 :: 28.180 CD2 :: 23.827 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.242 HA :: 4.345 HB2 :: 1.514 HB3 :: 1.352 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.670 Ave N Shift Values>> N :: 121.98(4.07) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 T 0.39 C Shift Assignments>> C :: 173.588 CA :: 60.446 CB :: 72.018 CG2 :: 23.900 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.355 HA :: 4.580 HB :: 4.268 HG21 :: 0.827 HG22 :: 0.827 HG23 :: 0.827 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 106.674 Ave N Shift Values>> N :: 115.7(5.05) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 I 0.2 M 0.03 K 0.02 C Shift Assignments>> C :: 174.334 CA :: 58.821 CB :: 30.325 CG :: 37.283 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.002 HA :: 4.205 HB2 :: 2.114 HB3 :: 1.913 HG2 :: 2.213 HG3 :: 2.213 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.905 Ave N Shift Values>> N :: 120.68(3.68) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.23 K 0.13 R 0.1 C 0.1 F 0.05 N 0.05 Y 0.04 C Shift Assignments>> C :: 175.708 CA :: 53.814 CB :: 42.128 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.561 HA :: 4.560 HB2 :: 3.176 HB3 :: 2.591 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.790 Ave N Shift Values>> N :: 120.73(4.2) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 173.602 CA :: 46.753 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.987 HA2 :: 4.020 HA3 :: 3.648 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.096 Ave N Shift Values>> N :: 109.91(4.29) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.26 P 0.08 A 0.04 L 0.02 N 0.01 C Shift Assignments>> C :: 170.505 CA :: 47.728 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.544 HA2 :: 3.984 HA3 :: 3.656 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.706 Ave N Shift Values>> N :: 109.91(4.29) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 172.685 CA :: 62.731 CB :: 33.629 CG1 :: 21.732 CG2 :: 23.083 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.821 HA :: 4.481 HB :: 1.728 HG11 :: 0.001 HG12 :: 0.001 HG13 :: 0.001 HG21 :: 0.490 HG22 :: 0.490 HG23 :: 0.490 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.910 Ave N Shift Values>> N :: 121.02(4.96) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.29 C Shift Assignments>> C :: 173.157 CA :: 62.530 CB :: 35.155 CG1 :: 20.915 CG2 :: 21.758 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.863 HA :: 4.483 HB :: 1.706 HG11 :: 0.263 HG12 :: 0.263 HG13 :: 0.263 HG21 :: 0.440 HG22 :: 0.440 HG23 :: 0.440 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.606 Ave N Shift Values>> N :: 121.02(4.96) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.43 G 0.04 K 0.03 C Shift Assignments>> C :: 171.851 CA :: 56.337 CB :: 36.607 CG :: 27.664 CD :: 29.680 CE :: 42.934 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.411 HA :: 4.914 HB2 :: 1.795 HB3 :: 1.354 HG2 :: 1.448 HG3 :: 0.939 HD2 :: 1.665 HD3 :: 1.574 HE2 :: 2.659 HE3 :: 2.347 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 132.507 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 172.536 CA :: 62.719 CB :: 71.036 CG2 :: 22.307 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.737 HA :: 4.870 HB :: 4.013 HG21 :: 0.992 HG22 :: 0.992 HG23 :: 0.992 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 124.994 Ave N Shift Values>> N :: 115.7(5.05) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 HN Overlap>> 1.E120 1.E120 C Shift Assignments>> C :: 172.385 CA :: 64.974 CB :: 38.326 CG1 :: 29.632 CG2 :: 18.185 CD1 :: 13.835 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.166 HA :: 3.606 HB :: 1.801 HG12 :: 1.463 HG13 :: 0.891 HG21 :: 0.692 HG22 :: 0.692 HG23 :: 0.692 HD11 :: 0.751 HD12 :: 0.751 HD13 :: 0.751 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.907 Ave N Shift Values>> N :: 121.6(4.72) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 C 0.3 L 0.27 G 0.05 A 0.01 K 0.01 C Shift Assignments>> C :: 175.428 CA :: 56.556 CB :: 43.155 CG :: 28.280 CD1 :: 26.647 CD2 :: 22.796 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.427 HA :: 4.346 HB2 :: 1.445 HB3 :: 1.138 HG :: 1.471 HD11 :: 0.688 HD12 :: 0.688 HD13 :: 0.688 HD21 :: 0.686 HD22 :: 0.686 HD23 :: 0.686 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.584 Ave N Shift Values>> N :: 121.98(4.07) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 G 0.34 R 0.08 K 0.02 C Shift Assignments>> C :: 172.542 CA :: 56.519 CB :: 34.569 CG :: 27.477 CD :: 44.610 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.072 HA :: 4.339 HB2 :: 1.621 HB3 :: 1.621 HG2 :: 1.656 HG3 :: 1.498 HD2 :: 3.246 HD3 :: 3.107 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.691 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.34 K 0.23 G 0.02 M 0.01 C Shift Assignments>> C :: 175.127 CA :: 58.583 CB :: 33.721 CG :: 26.088 CD :: 30.268 CE :: 42.670 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.820 HA :: 3.893 HB2 :: 1.781 HB3 :: 1.670 HG2 :: 1.489 HG3 :: 1.489 HD2 :: 1.639 HD3 :: 1.639 HE2 :: 2.916 HE3 :: 2.916 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 128.406 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 172.057 CA :: 44.803 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.917 HA2 :: 4.057 HA3 :: 3.630 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.294 Ave N Shift Values>> N :: 109.91(4.29) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 E 0.29 M 0.11 I 0.05 C Shift Assignments>> C :: 176.399 CA :: 57.620 CB :: 32.195 CG :: 37.402 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.659 HA :: 4.107 HB2 :: 2.124 HB3 :: 1.635 HG2 :: 2.269 HG3 :: 2.269 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.283 Ave N Shift Values>> N :: 120.68(3.68) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 172.234 CA :: 45.408 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.421 HA2 :: 3.991 HA3 :: 3.892 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.399 Ave N Shift Values>> N :: 109.91(4.29) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.609 CA :: 45.317 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.177 HA2 :: 4.392 HA3 :: 3.697 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.198 Ave N Shift Values>> N :: 109.91(4.29) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 I 0.31 E 0.28 M 0.02 K 0.01 C Shift Assignments>> C :: 176.583 CA :: 60.232 CB :: 30.366 CG :: 37.240 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.708 HA :: 3.887 HB2 :: 1.956 HB3 :: 1.892 HG2 :: 2.221 HG3 :: 2.221 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.990 Ave N Shift Values>> N :: 120.68(3.68) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.21 K 0.07 Q 0.01 M 0.01 C Shift Assignments>> C :: 174.600 CA :: 58.756 CB :: 28.906 CG :: 36.603 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.681 HA :: 4.221 HB2 :: 1.976 HB3 :: 1.947 HG2 :: 2.235 HG3 :: 2.119 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.307 Ave N Shift Values>> N :: 120.68(3.68) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.16 N 0.14 C 0.11 F 0.08 K 0.08 Y 0.07 R 0.01 C Shift Assignments>> C :: 170.457 CA :: 54.008 CB :: 40.787 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.687 HA :: 5.109 HB2 :: 2.876 HB3 :: 2.448 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.310 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.06 C 0.05 G 0.03 L 0.01 C Shift Assignments>> C :: 171.605 CA :: 49.382 CB :: 20.660 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.363 HA :: 4.858 HB1 :: 1.204 HB2 :: 1.204 HB3 :: 1.204 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.005 Ave N Shift Values>> N :: 123.23(3.7) 1.P33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> CA :: 62.220 CB :: 32.702 CG :: 27.375 CD :: 50.470 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.094(S) HB2 :: 1.122 HB3 :: 0.785 HG2 :: 1.433 HG3 :: 1.209 HD2 :: 3.748 HD3 :: 2.758 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 K 0.13 G 0.07 C Shift Assignments>> C :: 173.698 CA :: 54.248 CB :: 35.815 CG :: 26.059 CD :: 29.541 CE :: 43.183 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.427 HA :: 4.284 HB2 :: 1.751 HB3 :: 1.431 HG2 :: 1.341 HG3 :: 1.257 HD2 :: 1.529 HD3 :: 1.529 HE2 :: 2.919 HE3 :: 2.919 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.574 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.33 K 0.21 G 0.03 M 0.02 C Shift Assignments>> C :: 174.874 CA :: 59.829 CB :: 33.083 CG :: 25.781 CD :: 30.673 CE :: 42.671 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.190 HA :: 3.483 HB2 :: 1.706 HB3 :: 1.550 HG2 :: 1.383 HG3 :: 1.222 HD2 :: 1.631 HD3 :: 1.573 HE2 :: 2.901 HE3 :: 2.901 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.199 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 172.904 CA :: 45.691 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.240 HA2 :: 4.395 HA3 :: 3.434 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.991 Ave N Shift Values>> N :: 109.91(4.29) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.16 L 0.13 C 0.13 F 0.1 Y 0.1 K 0.05 C Shift Assignments>> C :: 172.535 CA :: 54.475 CB :: 40.324 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.339 HA :: 4.576 HB2 :: 2.696 HB3 :: 2.552 HD21 :: 7.655 HD22 :: 7.257 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.997 ND2 :: 112.582 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.6 E 0.24 M 0.07 I 0.06 C Shift Assignments>> C :: 174.060 CA :: 56.792 CB :: 31.738 CG :: 38.227 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.481 HA :: 4.103 HB2 :: 1.881 HB3 :: 1.731 HG2 :: 1.526(S) HG3 :: 1.313(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.487 Ave N Shift Values>> N :: 120.68(3.68) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.44 I 0.01 C Shift Assignments>> C :: 171.277 CA :: 60.349 CB :: 33.841 CG1 :: 23.422 CG2 :: 20.322 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.120 HA :: 4.674 HB :: 1.534 HG11 :: 0.561 HG12 :: 0.561 HG13 :: 0.561 HG21 :: -0.033 HG22 :: -0.033 HG23 :: -0.033 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.598 Ave N Shift Values>> N :: 121.02(4.96) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 172.563 CA :: 62.956 CB :: 70.383 CG2 :: 22.503 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.445 HA :: 4.893 HB :: 3.911 HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.093 Ave N Shift Values>> N :: 115.7(5.05) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.16 I 0.02 A 0.01 C Shift Assignments>> C :: 173.417 CA :: 58.669 CB :: 36.380 CG1 :: 22.497 CG2 :: 20.318 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.590 HA :: 5.710 HB :: 2.209 HG11 :: 0.788 HG12 :: 0.788 HG13 :: 0.788 HG21 :: 1.019 HG22 :: 1.019 HG23 :: 1.019 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.090 Ave N Shift Values>> N :: 121.02(4.96) 1.H42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.21 Y 0.14 N 0.11 F 0.07 M 0.06 K 0.02 I 0.02 D 0.02 HN Overlap>> 1.S96 1.S96 C Shift Assignments>> C :: 174.012 CA :: 55.612 CB :: 36.910 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.367 HA :: 5.602 HB2 :: 2.710 HB3 :: 2.653 HD2 :: 6.838 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.994 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.28 R 0.23 L 0.22 C 0.15 F 0.03 Y 0.02 D 0.02 K 0.01 C Shift Assignments>> C :: 171.072 CA :: 56.889 CB :: 44.483 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.861 HA :: 6.149 HB2 :: 2.842 HB3 :: 2.589 HD1 :: 6.904 HD2 :: 6.904 HE1 :: 6.611 HE2 :: 6.611 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.300 Ave N Shift Values>> N :: 120.79(4.69) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.43 I 0.03 C Shift Assignments>> C :: 173.848 CA :: 63.574 CB :: 36.825 CG1 :: 22.748 CG2 :: 21.476 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.569 HA :: 4.361 HB :: 1.944 HG11 :: 0.829 HG12 :: 0.829 HG13 :: 0.829 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.487 Ave N Shift Values>> N :: 121.02(4.96) 1.G45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 173.834 CA :: 46.698 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.209 HA2 :: 4.319 HA3 :: 2.289(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.897 Ave N Shift Values>> N :: 109.91(4.29) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.43 G 0.04 K 0.02 C Shift Assignments>> C :: 173.656 CA :: 54.721 CB :: 38.051 CG :: 25.612 CD :: 30.676 CE :: 42.666 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.055 HA :: 5.202 HB2 :: 1.269 HB3 :: 1.238 HG2 :: 1.157 HG3 :: 0.872 HD2 :: 1.359 HD3 :: 1.359 HE2 :: 2.637 HE3 :: 2.637 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.804 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.31 C 0.27 K 0.04 G 0.02 C Shift Assignments>> C :: 175.954 CA :: 55.133 CB :: 42.650 CG :: 28.400 CD1 :: 26.646 CD2 :: 25.042 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.148 HA :: 4.631 HB2 :: 1.889 HB3 :: 1.836 HG :: 1.892 HD11 :: 0.997 HD12 :: 0.997 HD13 :: 0.997 HD21 :: 0.828 HD22 :: 0.828 HD23 :: 0.828 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.192 Ave N Shift Values>> N :: 121.98(4.07) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 I 0.39 E 0.14 M 0.01 C Shift Assignments>> C :: 176.186 CA :: 60.691 CB :: 31.113 CG :: 38.269 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.874 HA :: 3.754 HB2 :: 1.676 HB3 :: 1.676 HG2 :: 2.060 HG3 :: 2.006 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.200 Ave N Shift Values>> N :: 120.68(3.68) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.268 CA :: 61.677 CB :: 62.745 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.223 HA :: 4.010 HB2 :: 3.881 HB3 :: 3.881 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.690 Ave N Shift Values>> N :: 116.3(3.95) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.76 T 0.23 C Shift Assignments>> C :: 174.005 CA :: 57.618 CB :: 66.643 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.977 HA :: 4.644 HB2 :: 3.935 HB3 :: 3.728 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.784 Ave N Shift Values>> N :: 116.3(3.95) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 171.287 CA :: 46.726 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.173 HA2 :: 4.072 HA3 :: 3.662 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.485 Ave N Shift Values>> N :: 109.91(4.29) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.34 K 0.22 G 0.03 M 0.01 C Shift Assignments>> C :: 174.491 CA :: 57.361 CB :: 34.649 CG :: 25.855 CD :: 29.882 CE :: 42.999 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.476 HA :: 4.102 HB2 :: 1.666 HB3 :: 1.666 HG2 :: 1.339 HG3 :: 1.246 HD2 :: 1.624 HD3 :: 1.624 HE2 :: 2.915 HE3 :: 2.915 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.694 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 174.812 CA :: 63.165 CB :: 33.160 CG1 :: 22.725 CG2 :: 21.851 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.522 HA :: 4.236 HB :: 1.858 HG11 :: 0.814 HG12 :: 0.814 HG13 :: 0.814 HG21 :: 0.715 HG22 :: 0.715 HG23 :: 0.715 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.502 Ave N Shift Values>> N :: 121.02(4.96) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 L 0.17 F 0.14 C 0.12 D 0.12 Y 0.11 R 0.06 I 0.01 N 0.01 C Shift Assignments>> C :: 173.007 CA :: 56.674 CB :: 41.407 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.144 HA :: 4.950 HB2 :: 3.233 HB3 :: 2.632 HD1 :: 7.005 HD2 :: 7.005 HE1 :: 7.220 HE2 :: 7.220 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.484 Ave N Shift Values>> N :: 120.69(4.18) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.27 L 0.26 R 0.21 C 0.14 D 0.03 F 0.02 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.824 CA :: 55.858 CB :: 44.468 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.716 HA :: 4.739 HB2 :: 3.328 HB3 :: 2.385 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.201 Ave N Shift Values>> N :: 120.73(4.2) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.007 CA :: 56.077 CB :: 65.023 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.099 HA :: 4.867 HB2 :: 3.818 HB3 :: 3.549 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.393 Ave N Shift Values>> N :: 116.3(3.95) 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 :: 172.952 CA :: 62.273 CB :: 62.284 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.342 HA :: 4.848 HB2 :: 4.099 HB3 :: 3.538 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.803 Ave N Shift Values>> N :: 116.3(3.95) 1.R58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 R 0.36 G 0.11 K 0.09 C Shift Assignments>> C :: 177.287 CA :: 59.482 CB :: 29.875 CG :: 29.300 CD :: 43.410 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.360 HA :: 3.576 HB2 :: 1.406 HB3 :: 1.264 HG2 :: 1.109 HG3 :: 0.684(S) HD2 :: 2.714 HD3 :: 2.667 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.889 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.35 I 0.2 M 0.04 K 0.03 C Shift Assignments>> C :: 175.599 CA :: 59.523 CB :: 30.322 CG :: 36.739 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.562 HA :: 3.894 HB2 :: 1.982 HB3 :: 1.883 HG2 :: 2.168 HG3 :: 2.168 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.297 Ave N Shift Values>> N :: 120.68(3.68) 1.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 G 0.24 R 0.22 K 0.05 C Shift Assignments>> C :: 173.916 CA :: 57.501 CB :: 31.777 CG :: 29.666 CD :: 44.334 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.933 HA :: 4.251 HB2 :: 1.922 HB3 :: 1.859 HG2 :: 1.685 HG3 :: 1.648 HD2 :: 3.389 HD3 :: 3.164 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 114.102 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 C 0.21 Y 0.15 D 0.12 F 0.11 E 0.05 L 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 172.002 CA :: 54.858 CB :: 38.305 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.716 HA :: 4.331 HB2 :: 3.244 HB3 :: 2.491 HD21 :: 7.522 HD22 :: 6.754 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.691 ND2 :: 112.114 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.31 C Shift Assignments>> C :: 170.887 CA :: 60.234 CB :: 36.581 CG1 :: 21.761 CG2 :: 21.420 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.302 HA :: 4.566 HB :: 1.911 HG11 :: 0.980 HG12 :: 0.980 HG13 :: 0.980 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.491 Ave N Shift Values>> N :: 121.02(4.96) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> CA :: 63.848 CB :: 33.170 CG :: 27.379 CD :: 51.644 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.954 HB2 :: 1.388 HB3 :: 1.060 HG2 :: 1.643 HG3 :: 1.380 HD2 :: 3.626 HD3 :: 3.519 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 G 0.18 C 0.17 L 0.16 F 0.06 Y 0.04 K 0.02 D 0.01 HN Overlap>> 1.E118 1.E118 C Shift Assignments>> C :: 171.421 CA :: 58.287 CB :: 44.038 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.115 HA :: 4.805 HB2 :: 3.496 HB3 :: 3.162 HD1 :: 6.616 HD2 :: 6.616 HE1 :: 7.312 HE2 :: 7.312 HZ :: 6.904 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.080 Ave N Shift Values>> N :: 120.69(4.18) 1.K65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.44 C 0.4 K 0.09 G 0.04 M 0.01 C Shift Assignments>> C :: 173.171 CA :: 54.838 CB :: 36.802 CG :: 25.748 CD :: 30.262 CE :: 42.837 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.452 HA :: 5.765(S) HB2 :: 1.287 HB3 :: 1.162 HG2 :: 1.365 HG3 :: 1.012 HD2 :: 1.305 HD3 :: 1.305 HE2 :: 2.723 HE3 :: 2.682 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.684 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 L 0.16 F 0.15 Y 0.13 C 0.12 D 0.12 R 0.05 I 0.02 N 0.01 C Shift Assignments>> C :: 170.553 CA :: 56.701 CB :: 41.222 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.042 HA :: 4.527 HB2 :: 3.044 HB3 :: 3.044 HD1 :: 6.996 HD2 :: 6.996 HE1 :: 7.273 HE2 :: 7.273 HZ :: 6.828 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.904 Ave N Shift Values>> N :: 120.69(4.18) 1.H67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 H 0.13 W 0.12 E 0.12 C 0.11 R 0.09 M 0.03 L 0.03 I 0.02 C Shift Assignments>> C :: 172.843 CA :: 56.667 CB :: 28.939 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.143 HA :: 4.914 HB2 :: 3.017 HB3 :: 2.609 HD2 :: 7.119 HE1 :: 8.550 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.298 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.3 G 0.16 R 0.15 C Shift Assignments>> C :: 175.701 CA :: 56.928 CB :: 43.866 CG :: 26.929 CD1 :: 26.758 CD2 :: 25.442 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.543 HA :: 4.034 HB2 :: 1.797 HB3 :: 0.987 HG :: 1.435 HD11 :: 0.391 HD12 :: 0.391 HD13 :: 0.391 HD21 :: 0.983 HD22 :: 0.983 HD23 :: 0.983 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.894 Ave N Shift Values>> N :: 121.98(4.07) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 C 0.27 P 0.15 A 0.07 N 0.02 L 0.01 D 0.01 C Shift Assignments>> C :: 172.364 CA :: 47.925 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.482 HA2 :: 3.936 HA3 :: 3.654 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.793 Ave N Shift Values>> N :: 109.91(4.29) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 M 0.23 E 0.22 Q 0.16 K 0.08 C Shift Assignments>> C :: 173.807 CA :: 55.176 CB :: 30.965 CG :: 34.956 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.799 HA :: 4.613 HB2 :: 2.474 HB3 :: 1.692 HG2 :: 2.226 HG3 :: 2.030 HE21 :: 7.113 HE22 :: 6.805 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.898 NE2 :: 111.007 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 C 0.25 P 0.05 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 173.704 CA :: 47.585 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.596 HA2 :: 4.069 HA3 :: 3.962 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.201 Ave N Shift Values>> N :: 109.91(4.29) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 E 0.26 I 0.09 M 0.07 C Shift Assignments>> C :: 173.383 CA :: 58.187 CB :: 31.959 CG :: 37.856 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.263 HA :: 4.102 HB2 :: 2.271 HB3 :: 2.099 HG2 :: 2.404 HG3 :: 2.404 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.082 Ave N Shift Values>> N :: 120.68(3.68) 1.V73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.83 V 0.06 I 0.05 A 0.04 C Shift Assignments>> C :: 173.445 CA :: 58.111 CB :: 37.023 CG1 :: 22.452 CG2 :: 19.681 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.696 HA :: 4.168 HB :: 1.294 HG11 :: -0.061(S) HG12 :: -0.061(S) HG13 :: -0.061(S) HG21 :: 0.213 HG22 :: 0.213 HG23 :: 0.213 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 108.290 Ave N Shift Values>> N :: 121.02(4.96) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 175.680 CA :: 63.160 CB :: 38.304 CG1 :: 25.412 CG2 :: 18.380 CD1 :: 15.148 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.252 HA :: 3.748 HB :: 1.793 HG12 :: 0.728 HG13 :: 0.206 HG21 :: -0.103 HG22 :: -0.103 HG23 :: -0.103 HD11 :: 0.336 HD12 :: 0.336 HD13 :: 0.336 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 113.491 Ave N Shift Values>> N :: 121.6(4.72) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.31 K 0.23 G 0.03 C Shift Assignments>> C :: 177.848 CA :: 60.325 CB :: 34.293 CG :: 25.933 CD :: 29.782 CE :: 42.698 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.911 HA :: 4.240 HB2 :: 1.857 HB3 :: 1.785 HG2 :: 1.600 HG3 :: 1.600 HD2 :: 1.710 HD3 :: 1.710 HE2 :: 2.925 HE3 :: 2.925 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.488 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.58 A 0.12 C 0.11 N 0.06 G 0.05 D 0.02 C Shift Assignments>> C :: 173.459 CA :: 48.825 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.289 HA2 :: 3.912 HA3 :: 3.672 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.188 Ave N Shift Values>> N :: 109.91(4.29) 1.W77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 C 0.15 V 0.14 P 0.12 W 0.12 E 0.05 R 0.05 H 0.03 K 0.02 Q 0.02 C Shift Assignments>> C :: 175.633 CA :: 61.755 CB :: 29.980 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.676 HA :: 4.046 HB2 :: 2.958 HB3 :: 2.656 HD1 :: 6.462 HE3 :: 7.699 HZ2 :: 7.497 HZ3 :: 5.060 HH2 :: 6.000 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.280 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 K 0.18 Y 0.17 C 0.15 L 0.08 I 0.07 R 0.06 D 0.03 C Shift Assignments>> C :: 177.711 CA :: 58.922 CB :: 41.411 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.895 HA :: 4.722 HB2 :: 2.710 HB3 :: 2.608 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.683 Ave N Shift Values>> N :: 120.73(4.2) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.15 V 0.01 C Shift Assignments>> C :: 175.892 CA :: 65.486 CB :: 40.266 CG1 :: 29.960 CG2 :: 19.120 CD1 :: 15.837 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.944 HA :: 3.603 HB :: 1.435 HG12 :: 1.757 HG13 :: 1.003 HG21 :: 0.673 HG22 :: 0.673 HG23 :: 0.673 HD11 :: 0.727 HD12 :: 0.727 HD13 :: 0.727 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.688 Ave N Shift Values>> N :: 121.6(4.72) 1.C80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 P 0.27 C 0.09 V 0.08 W 0.03 C Shift Assignments>> C :: 177.137 CA :: 63.935 CB :: 28.770 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.096 HA :: 3.811 HB2 :: 2.772 HB3 :: 2.375 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.297 Ave N Shift Values>> N :: 119.95(4.79) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 173.978 CA :: 67.672 CB :: 31.239 CG1 :: 24.344 CG2 :: 23.580 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.232 HA :: 3.489 HB :: 2.083 HG11 :: 0.954 HG12 :: 0.954 HG13 :: 0.954 HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.174 Ave N Shift Values>> N :: 121.02(4.96) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.4 C 0.04 I 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 175.667 CA :: 55.141 CB :: 19.131 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.951 HA :: 3.891 HB1 :: 1.389 HB2 :: 1.389 HB3 :: 1.389 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.693 Ave N Shift Values>> N :: 123.23(3.7) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 S 0.38 C Shift Assignments>> C :: 171.810 CA :: 59.562 CB :: 66.966 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.423 HA :: 4.509 HB2 :: 4.118 HB3 :: 3.762 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.096 Ave N Shift Values>> N :: 116.3(3.95) 1.M84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 M 0.14 A 0.12 I 0.01 C Shift Assignments>> C :: 172.870 CA :: 56.666 CB :: 37.752 CG :: 32.899 CE :: 20.429 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.324 HA :: 4.740 HB2 :: 1.970 HB3 :: 1.897 HG2 :: 2.891 HG3 :: 2.320 HE1 :: 1.901 HE2 :: 1.901 HE3 :: 1.901 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.783 Ave N Shift Values>> N :: 120.1(3.88) 1.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 T 0.42 C Shift Assignments>> C :: 172.747 CA :: 60.144 CB :: 72.790 CG2 :: 23.112 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.966 HA :: 4.877 HB :: 4.167 HG21 :: 0.985 HG22 :: 0.985 HG23 :: 0.985 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 105.687 Ave N Shift Values>> N :: 115.7(5.05) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.38 K 0.12 G 0.04 C Shift Assignments>> C :: 173.061 CA :: 60.880 CB :: 34.799 CG :: 26.320 CD :: 30.486 CE :: 42.657 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.657 HA :: 3.491 HB2 :: 1.768 HB3 :: 1.710 HG2 :: 1.341 HG3 :: 1.263 HD2 :: 1.632 HD3 :: 1.565 HE2 :: 2.899 HE3 :: 2.794 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.992 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.22 C 0.18 D 0.13 L 0.09 N 0.05 I 0.04 K 0.03 E 0.01 C Shift Assignments>> C :: 173.102 CA :: 56.685 CB :: 39.801 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.824 HA :: 4.350 HB2 :: 3.228 HB3 :: 3.111 HD21 :: 8.060 HD22 :: 6.824 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.804 ND2 :: 113.587 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 E 0.08 I 0.04 M 0.03 K 0.02 C Shift Assignments>> C :: 172.686 CA :: 57.618 CB :: 33.142 CG :: 38.801 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.753 HA :: 4.255 HB2 :: 2.258 HB3 :: 2.021 HG2 :: 2.550 HG3 :: 1.744 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.784 Ave N Shift Values>> N :: 120.68(3.68) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.42 K 0.04 G 0.01 C Shift Assignments>> C :: 173.851 CA :: 55.343 CB :: 37.311 CG :: 26.804 CD :: 30.299 CE :: 42.311 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.712 HA :: 5.362 HB2 :: 1.624 HB3 :: 1.364 HG2 :: 1.208 HG3 :: 1.075 HD2 :: 1.428 HD3 :: 1.428 HE2 :: 2.528 HE3 :: 2.528 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.498 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 Q 0.19 C 0.19 K 0.18 H 0.05 R 0.05 W 0.05 E 0.04 V 0.01 C Shift Assignments>> C :: 169.198 CA :: 55.700 CB :: 33.504 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.678 HA :: 5.498 HB2 :: 2.833 HB3 :: 2.833 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 123.801 Ave N Shift Values>> N :: 119.95(4.79) 1.S91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.879 CA :: 56.926 CB :: 64.805 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.039 HA :: 5.567 HB2 :: 3.578 HB3 :: 3.578 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.401 Ave N Shift Values>> N :: 116.3(3.95) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 I 0.08 V 0.04 A 0.01 C Shift Assignments>> C :: 171.831 CA :: 58.667 CB :: 36.717 CG1 :: 24.173 CG2 :: 20.538 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 10.045 HA :: 5.397 HB :: 1.968 HG11 :: 0.627 HG12 :: 0.627 HG13 :: 0.627 HG21 :: 1.041 HG22 :: 1.041 HG23 :: 1.041 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.488 Ave N Shift Values>> N :: 121.02(4.96) 1.R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.25 G 0.2 K 0.1 C Shift Assignments>> C :: 173.937 CA :: 55.692 CB :: 32.437 CG :: 29.236 CD :: 44.100 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.463 HA :: 4.913 HB2 :: 1.573 HB3 :: 1.533 HG2 :: 1.169 HG3 :: 1.088 HD2 :: 3.033 HD3 :: 2.896 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 129.688 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L94 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 C 0.25 R 0.15 C Shift Assignments>> C :: 173.834 CA :: 52.966 CB :: 44.861 CG :: 27.480 CD1 :: 28.282 CD2 :: 29.121(A) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.675 HA :: 5.475 HB2 :: 2.062 HB3 :: 1.259 HG :: 1.848 HD11 :: 1.007 HD12 :: 1.007 HD13 :: 1.007 HD21 :: 0.940 HD22 :: 0.940 HD23 :: 0.940 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.492 Ave N Shift Values>> N :: 121.98(4.07) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.22 R 0.16 C 0.15 F 0.02 Y 0.01 D 0.01 C Shift Assignments>> C :: 175.578 CA :: 56.377 CB :: 44.767 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.034 HA :: 4.637 HB2 :: 2.823 HB3 :: 2.672 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.786 Ave N Shift Values>> N :: 120.73(4.2) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.H42 1.H42 C Shift Assignments>> CA :: 63.358 CB :: 63.395 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.277 HA :: 4.135 HB2 :: 3.909 HB3 :: 3.621 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.964 Ave N Shift Values>> N :: 116.3(3.95) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.31 R 0.26 G 0.02 M 0.02 C Shift Assignments>> C :: 174.853 CA :: 59.735 CB :: 32.725 CG :: 25.360 CD :: 30.047 CE :: 42.592 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.572 HA :: 3.961 HB2 :: 1.630 HB3 :: 1.379 HG2 :: 0.875 HG3 :: 0.822 HD2 :: 1.432 HD3 :: 1.432 HE2 :: 2.740 HE3 :: 2.740 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.092 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 C 0.17 I 0.16 K 0.04 L 0.03 D 0.02 C Shift Assignments>> C :: 171.660 CA :: 59.370 CB :: 40.239 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.940 HA :: 4.302 HB2 :: 2.910 HB3 :: 2.561 HD1 :: 6.617 HD2 :: 6.617 HE1 :: 6.843 HE2 :: 6.843 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.088 Ave N Shift Values>> N :: 120.79(4.69) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 171.011 CA :: 45.926 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.640 HA2 :: 4.234 HA3 :: 3.242 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.094 Ave N Shift Values>> N :: 109.91(4.29) 1.Y100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 I 0.25 F 0.22 C 0.2 E 0.03 C Shift Assignments>> C :: 174.087 CA :: 59.693 CB :: 38.667 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.395 HA :: 4.390 HB2 :: 3.129 HB3 :: 2.284 HD1 :: 6.903 HD2 :: 6.903 HE1 :: 6.486 HE2 :: 6.486 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.594 Ave N Shift Values>> N :: 120.79(4.69) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.22 L 0.03 A 0.02 P 0.02 C Shift Assignments>> C :: 173.827 CA :: 47.338 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.182 HA2 :: 3.902 HA3 :: 3.584 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.992 Ave N Shift Values>> N :: 109.91(4.29) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.32 I 0.22 M 0.04 K 0.01 C Shift Assignments>> C :: 174.996 CA :: 59.295 CB :: 30.728 CG :: 37.430 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.117 HA :: 3.894 HB2 :: 1.986 HB3 :: 1.895 HG2 :: 2.249 HG3 :: 2.171 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.898 Ave N Shift Values>> N :: 120.68(3.68) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.31 I 0.22 M 0.04 K 0.01 C Shift Assignments>> C :: 177.315 CA :: 59.165 CB :: 30.793 CG :: 37.604 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.631 HA :: 4.066 HB2 :: 2.115 HB3 :: 1.992 HG2 :: 2.318 HG3 :: 2.226 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.190 Ave N Shift Values>> N :: 120.68(3.68) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 169.745 CA :: 44.999 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.146 HA2 :: 3.923 HA3 :: 3.145 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.990 Ave N Shift Values>> N :: 109.91(4.29) 1.C105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.2 I 0.15 C 0.14 L 0.09 Q 0.09 W 0.08 K 0.08 H 0.06 E 0.05 C Shift Assignments>> C :: 171.489 CA :: 58.767 CB :: 26.980 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.959 HA :: 4.215 HB2 :: 1.822 HB3 :: 1.288(S) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.998 Ave N Shift Values>> N :: 119.95(4.79) 1.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 171.510 CA :: 45.997 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.555 HA2 :: 3.875 HA3 :: 3.662 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.893 Ave N Shift Values>> N :: 109.91(4.29) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.36 I 0.14 M 0.05 K 0.02 C Shift Assignments>> C :: 176.138 CA :: 58.314 CB :: 30.717 CG :: 37.334 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.467 HA :: 3.990 HB2 :: 1.947 HB3 :: 1.835 HG2 :: 2.155 HG3 :: 2.155 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.089 Ave N Shift Values>> N :: 120.68(3.68) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 171.680 CA :: 60.987 CB :: 64.825 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.032 HA :: 4.180 HB2 :: 3.788 HB3 :: 3.788 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.291 Ave N Shift Values>> N :: 116.3(3.95) 1.I109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.54 C 0.43 A 0.01 C Shift Assignments>> C :: 170.614 CA :: 58.921 CB :: 40.216 CG1 :: 27.006 CG2 :: 18.517 CD1 :: 14.725 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.552 HA :: 4.202 HB :: 1.178 HG12 :: 0.799 HG13 :: -0.186(S) HG21 :: 0.484 HG22 :: 0.484 HG23 :: 0.484 HD11 :: -0.129 HD12 :: -0.129 HD13 :: -0.129 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.916 Ave N Shift Values>> N :: 121.6(4.72) 1.P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 P 0.46 S 0.01 C Shift Assignments>> C :: 177.096 CA :: 62.537 CB :: 33.501 CG :: 27.986 CD :: 52.091 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.459 HB2 :: 2.284 HB3 :: 1.638 HG2 :: 1.810 HG3 :: 1.810 HD2 :: 3.515 HD3 :: 3.392 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 C 0.22 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 170.539 CA :: 47.321 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.026 HA2 :: 3.621 HA3 :: 3.332 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.977 Ave N Shift Values>> N :: 109.91(4.29) 1.N112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 N 0.2 Y 0.16 E 0.11 F 0.1 D 0.07 M 0.03 I 0.02 L 0.01 C Shift Assignments>> C :: 172.549 CA :: 55.187 CB :: 37.740 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.431 HA :: 4.080 HB2 :: 2.913 HB3 :: 2.770 HD21 :: 7.420 HD22 :: 6.898 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.791 ND2 :: 113.315 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 171.072 CA :: 60.631 CB :: 65.230 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.613 HA :: 4.461 HB2 :: 3.506 HB3 :: 3.443 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.212 Ave N Shift Values>> N :: 116.3(3.95) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 174.757 CA :: 63.659 CB :: 32.754 CG1 :: 23.018 CG2 :: 22.250 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.490 HA :: 4.371 HB :: 1.844 HG11 :: 1.075 HG12 :: 1.075 HG13 :: 1.075 HG21 :: 0.673 HG22 :: 0.673 HG23 :: 0.673 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.188 Ave N Shift Values>> N :: 121.02(4.96) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 G 0.43 L 0.08 A 0.02 C Shift Assignments>> C :: 172.795 CA :: 53.912 CB :: 46.669 CD1 :: 27.572 CD2 :: 24.151 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.701 HA :: 5.135 HB2 :: 1.904 HB3 :: 1.458 HD11 :: 1.177 HD12 :: 1.177 HD13 :: 1.177 HD21 :: 0.725 HD22 :: 0.725 HD23 :: 0.725 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.406 Ave N Shift Values>> N :: 121.98(4.07) 1.I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.38 C Shift Assignments>> C :: 174.313 CA :: 59.969 CB :: 40.899 CG1 :: 28.465 CG2 :: 18.202 CD1 :: 13.949 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.988 HA :: 5.269 HB :: 1.517 HG12 :: 1.360 HG13 :: 1.017 HG21 :: 0.698 HG22 :: 0.698 HG23 :: 0.698 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.855 Ave N Shift Values>> N :: 121.6(4.72) 1.F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.27 C 0.12 G 0.08 K 0.05 D 0.05 F 0.05 Y 0.03 C Shift Assignments>> C :: 173.192 CA :: 56.257 CB :: 43.641 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.293 HA :: 5.964 HB2 :: 2.728 HB3 :: 2.655 HD1 :: 7.224 HD2 :: 7.224 HE1 :: 6.890 HE2 :: 6.890 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.997 Ave N Shift Values>> N :: 120.69(4.18) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 E 0.16 M 0.08 I 0.02 HN Overlap>> 1.F64 1.F64 C Shift Assignments>> C :: 174.956 CA :: 55.914 CB :: 32.496 CG :: 38.389 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.101 HA :: 5.506 HB2 :: 2.071 HB3 :: 1.925 HG2 :: 2.103 HG3 :: 1.777 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.191 Ave N Shift Values>> N :: 120.68(3.68) 1.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.35 G 0.03 C Shift Assignments>> C :: 171.154 CA :: 61.677 CB :: 42.349 CG1 :: 28.932 CG2 :: 17.711 CD1 :: 12.668 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.907 HA :: 4.893 HB :: 1.314 HG12 :: 1.297 HG13 :: 0.275 HG21 :: 0.396 HG22 :: 0.396 HG23 :: 0.396 HD11 :: -0.273 HD12 :: -0.273 HD13 :: -0.273 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.799 Ave N Shift Values>> N :: 121.6(4.72) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 M 0.05 E 0.02 HN Overlap>> 1.I21 1.I21 C Shift Assignments>> C :: 173.123 CA :: 54.442 CB :: 35.368 CG :: 36.498 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.107 HA :: 5.333 HB2 :: 1.969 HB3 :: 1.502 HG2 :: 1.865 HG3 :: 1.865 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.888 Ave N Shift Values>> N :: 120.68(3.68) 1.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.35 K 0.2 L 0.07 C Shift Assignments>> C :: 172.207 CA :: 55.511 CB :: 41.744 CG :: 29.749 CD1 :: 26.909 CD2 :: 25.468 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.290 HA :: 4.651 HB2 :: 2.236 HB3 :: 1.188 HG :: 1.367 HD11 :: 0.631 HD12 :: 0.631 HD13 :: 0.631 HD21 :: 0.837 HD22 :: 0.837 HD23 :: 0.837 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.088 Ave N Shift Values>> N :: 121.98(4.07) 1.I122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 174.395 CA :: 63.914 CB :: 39.573 CG1 :: 28.350 CG2 :: 17.451 CD1 :: 13.951 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.623 HA :: 4.001 HB :: 1.472 HG12 :: 1.437 HG13 :: 1.119 HG21 :: 0.785 HG22 :: 0.785 HG23 :: 0.785 HD11 :: 0.644 HD12 :: 0.644 HD13 :: 0.644 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 130.201 Ave N Shift Values>> N :: 121.6(4.72) 1.S123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 169.350 CA :: 58.339 CB :: 64.770 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.647 HA :: 4.284 HB2 :: 3.736 HB3 :: 3.736 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 107.196 Ave N Shift Values>> N :: 116.3(3.95) 1.F124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.22 C 0.13 F 0.07 G 0.07 K 0.07 Y 0.05 D 0.03 C Shift Assignments>> C :: 170.627 CA :: 57.317 CB :: 43.521 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.925 HA :: 5.353 HB2 :: 3.079 HB3 :: 2.902 HD1 :: 6.641 HD2 :: 6.641 HE1 :: 7.060 HE2 :: 7.060 HZ :: 6.983 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 113.302 Ave N Shift Values>> N :: 120.69(4.18) 1.R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 G 0.33 R 0.15 K 0.02 C Shift Assignments>> C :: 171.763 CA :: 55.376 CB :: 33.789 CG :: 26.765 CD :: 44.506 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.809 HA :: 4.610 HB2 :: 1.818 HB3 :: 1.725 HG2 :: 1.481 HG3 :: 1.481 HD2 :: 3.028 HD3 :: 2.972 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.403 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.15 V 0.11 R 0.11 E 0.1 K 0.07 H 0.07 M 0.06 I 0.05 Q 0.04 P 0.01 C Shift Assignments>> C :: 171.776 CA :: 59.645 CB :: 31.345 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.245 HA :: 4.085 HB2 :: 1.930 HB3 :: 1.848 HG2 :: 2.209 HG3 :: 2.209 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.801 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 117 #Clerical: 0 #Suspicious: 8 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 125 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 126 #Suspicious: 0 C Shift Results: #Consistent: 496 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 839 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 127 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P33 HA = 3.094(S), Expected = 4.41, Std = 0.3600, ChiSquare = 2.5663e-04 1.E38 HG2 = 1.526(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.8896e-04 1.E38 HG3 = 1.313(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.0583e-06 1.G45 HA3 = 2.289(S), Expected = 3.93, Std = 0.4000, ChiSquare = 4.0871e-05 1.R58 HG3 = 0.684(S), Expected = 1.58, Std = 0.2700, ChiSquare = 9.0496e-04 1.K65 HA = 5.765(S), Expected = 4.28, Std = 0.4500, ChiSquare = 9.6685e-04 1.V73 HG11 = -0.061(S), Expected = 0.84, Std = 0.2700, ChiSquare = 8.4677e-04 1.V73 HG12 = -0.061(S), Expected = 0.84, Std = 0.2700, ChiSquare = 8.4677e-04 1.V73 HG13 = -0.061(S), Expected = 0.84, Std = 0.2700, ChiSquare = 8.4677e-04 1.L94 CD2 = 29.121(A), Expected = 24.10, Std = 1.7800, ChiSquare = 4.7906e-03 1.C105 HB3 = 1.288(S), Expected = 2.98, Std = 0.4500, ChiSquare = 1.6991e-04 1.I109 HG13 = -0.186(S), Expected = 1.24, Std = 0.4000, ChiSquare = 3.6386e-04