Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.36 E 0.32 M 0.21 Q 0.04 K 0.02 I 0.02 C Shift Assignments>> CA :: 57.013 CB :: 35.917 CG :: 31.635 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>> HA :: 3.793 HB2 :: 2.126 HB3 :: 2.041 HG2 :: 2.567 HG3 :: 2.567 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) 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.49 I 0.47 G 0.02 C Shift Assignments>> C :: 175.500 CA :: 60.252 CB :: 42.126 CG1 :: 28.068 CG2 :: 18.552 CD1 :: 15.261 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>> HA :: 5.301 HB :: 1.666 HG12 :: 1.737 HG13 :: 1.032 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 HD11 :: 0.837 HD12 :: 0.837 HD13 :: 0.837 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) 1.Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.36 E 0.05 Q 0.05 C Shift Assignments>> C :: 173.824 CA :: 54.734 CB :: 33.850 CG :: 34.395 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.176 HA :: 4.896 HB2 :: 2.069 HB3 :: 2.163 HG2 :: 2.430 HG3 :: 2.349 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 :: 125.625 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.35 I 0.01 HN Overlap>> 1.D33 1.D33 C Shift Assignments>> C :: 174.565 CA :: 60.166 CB :: 34.455 CG1 :: 23.808 CG2 :: 20.989 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 :: 8.940 HA :: 5.394 HB :: 1.944 HG11 :: 0.903 HG12 :: 0.903 HG13 :: 0.903 HG21 :: 0.850 HG22 :: 0.850 HG23 :: 0.850 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 :: 123.684 Ave N Shift Values>> N :: 121.02(4.96) 1.Y5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 HN Overlap>> 1.W90 1.W90 C Shift Assignments>> C :: 174.110 CA :: 56.195 CB :: 41.082 CD1 :: 133.668 CD2 :: 133.668 CE1 :: 117.424 CE2 :: 117.424 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.754 HA :: 5.310 HB2 :: 3.600 HB3 :: 3.084 HD1 :: 7.126 HD2 :: 7.126 HE1 :: 6.691 HE2 :: 6.691 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 :: 122.532 Ave N Shift Values>> N :: 120.79(4.69) 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 :: 174.918 CA :: 56.878 CB :: 64.987 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.191 HA :: 5.223 HB2 :: 3.678 HB3 :: 4.442 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.402 Ave N Shift Values>> N :: 116.3(3.95) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.18 R 0.17 K 0.12 C Shift Assignments>> C :: 175.505 CA :: 59.343 CB :: 33.279 CG :: 25.400 CD :: 43.847 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 :: 9.089 HA :: 3.823 HB2 :: 1.945 HB3 :: 1.706 HG2 :: 1.391 HG3 :: 0.881 HD2 :: 3.021 HD3 :: 2.749 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 :: 123.652 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.H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.45 C 0.3 W 0.23 C Shift Assignments>> C :: 174.577 CA :: 52.487 CB :: 30.505 CD2 :: 119.471 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 :: 8.389 HA :: 5.329 HB2 :: 3.210 HB3 :: 2.883 HD2 :: 6.970 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 :: 114.911 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 176.963 CA :: 64.209 CB :: 31.435 CG :: 28.195 CD :: 50.833 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 :: 4.525 HB2 :: 2.427 HB3 :: 1.935 HG2 :: 2.237 HG3 :: 2.086 HD2 :: 3.783 HD3 :: 4.086 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) N Shift Assignments>> N :: 108.524 Ave N Shift Values>> N :: 127.4(10.05) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.26 C 0.04 L 0.02 C Shift Assignments>> C :: 176.949 CA :: 53.304 CB :: 19.932 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.161 HA :: 4.066 HB1 :: 1.719 HB2 :: 1.719 HB3 :: 1.719 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.359 Ave N Shift Values>> N :: 123.23(3.7) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.26 E 0.22 Q 0.01 C Shift Assignments>> C :: 175.178 CA :: 55.115 CB :: 32.674 CG :: 36.347 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 :: 9.048 HA :: 4.402 HB2 :: 1.850 HB3 :: 1.850 HG2 :: 2.167 HG3 :: 2.125 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 :: 124.791 Ave N Shift Values>> N :: 120.68(3.68) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 C 0.27 E 0.13 Y 0.11 F 0.06 M 0.05 D 0.04 K 0.01 I 0.01 C Shift Assignments>> C :: 177.510 CA :: 54.316 CB :: 37.074 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 :: 8.903 HA :: 4.509 HB2 :: 2.787 HB3 :: 2.669 HD21 :: 7.259 HD22 :: 7.626 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 :: 123.388 ND2 :: 112.369 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G13 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 :: 173.397 CA :: 45.341 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.957 HA2 :: 4.198 HA3 :: 3.524 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.176 Ave N Shift Values>> N :: 109.91(4.29) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.35 R 0.12 M 0.02 G 0.01 C Shift Assignments>> C :: 175.351 CA :: 54.317 CB :: 33.593 CG :: 24.689 CD :: 28.724 CE :: 42.087 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 :: 7.965 HA :: 4.679 HB2 :: 1.819 HB3 :: 1.762 HG2 :: 1.328 HG3 :: 1.306 HD2 :: 1.578 HD3 :: 1.621 HE2 :: 2.927 HE3 :: 2.930 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 :: 121.474 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.432 CA :: 59.858 CB :: 63.034 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.477 HA :: 4.231 HB2 :: 3.703 HB3 :: 3.746 HG :: 1.899 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.163 Ave N Shift Values>> N :: 116.3(3.95) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.2 C 0.14 N 0.11 K 0.06 R 0.06 G 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 173.803 CA :: 51.242 CB :: 42.132 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 :: 8.975 HA :: 4.872 HB2 :: 2.743 HB3 :: 2.536 HD21 :: 7.512 HD22 :: 7.861 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 :: 127.405 ND2 :: 112.235 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 F 0.31 Y 0.23 G 0.13 C Shift Assignments>> C :: 173.350 CA :: 57.738 CB :: 43.383 CZ :: 129.847 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 :: 10.528 HA :: 5.424 HB2 :: 2.657 HB3 :: 2.646 HD1 :: 7.023 HD2 :: 7.023 HE1 :: 7.091 HE2 :: 7.091 HZ :: 7.376 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 :: 119.867 Ave N Shift Values>> N :: 120.69(4.18) 1.L18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.47 C 0.26 L 0.22 R 0.02 G 0.01 C Shift Assignments>> C :: 173.056 CA :: 53.392 CB :: 41.777 CG :: 26.054 CD1 :: 21.159 CD2 :: 26.017 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 :: 9.067 HA :: 3.683 HB2 :: 0.944 HB3 :: -0.744(S) HG :: 0.043(S) HD11 :: -0.602(S) HD12 :: -0.602(S) HD13 :: -0.602(S) HD21 :: 0.642 HD22 :: 0.642 HD23 :: 0.642 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 :: 127.126 Ave N Shift Values>> N :: 121.98(4.07) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.19 L 0.15 C 0.13 K 0.05 F 0.03 Y 0.02 R 0.02 C Shift Assignments>> C :: 172.864 CA :: 51.442 CB :: 41.419 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 :: 5.072 HB2 :: 2.279 HB3 :: 1.890 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 :: 122.431 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.2 N 0.11 K 0.11 C 0.1 F 0.06 Y 0.05 R 0.03 C Shift Assignments>> C :: 172.125 CA :: 53.458 CB :: 41.396 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.542 HA :: 5.242 HB2 :: 3.432 HB3 :: 2.517 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 :: 121.964 Ave N Shift Values>> N :: 119.95(4.79) 1.Y21 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 :: 175.813 CA :: 56.658 CB :: 40.572 CD1 :: 132.831 CD2 :: 132.831 CE1 :: 117.943 CE2 :: 117.943 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 :: 9.630 HA :: 5.468 HB2 :: 2.910 HB3 :: 2.842 HD1 :: 6.647 HD2 :: 6.647 HE1 :: 6.400 HE2 :: 6.400 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 :: 127.789 Ave N Shift Values>> N :: 120.79(4.69) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 176.158 CA :: 61.347 CB :: 35.376 CG1 :: 22.047 CG2 :: 22.384 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 :: 9.356 HA :: 5.039 HB :: 2.046 HG11 :: 1.058 HG12 :: 1.058 HG13 :: 1.058 HG21 :: 0.964 HG22 :: 0.964 HG23 :: 0.964 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 :: 124.794 Ave N Shift Values>> N :: 121.02(4.96) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 174.295 CA :: 57.264 CB :: 66.130 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.288 HA :: 5.500 HB2 :: 3.909 HB3 :: 3.821 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.683 Ave N Shift Values>> N :: 116.3(3.95) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 173.738 CA :: 45.502 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.232 HA2 :: 3.754 HA3 :: 4.024 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.031 Ave N Shift Values>> N :: 109.91(4.29) 1.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.3 G 0.04 C Shift Assignments>> C :: 173.587 CA :: 55.743 CB :: 42.594 CD1 :: 131.429 CD2 :: 131.429 CE1 :: 130.152 CE2 :: 130.152 CZ :: 128.699 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 :: 8.783 HA :: 4.840 HB2 :: 2.812 HB3 :: 2.501 HD1 :: 6.881 HD2 :: 6.881 HE1 :: 6.921 HE2 :: 6.921 HZ :: 6.988 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 :: 119.836 Ave N Shift Values>> N :: 120.69(4.18) 1.H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.42 C 0.39 W 0.17 C Shift Assignments>> CA :: 55.097 CB :: 31.438 CD2 :: 118.170 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 :: 8.804 HA :: 3.430 HB2 :: 2.841 HB3 :: 2.693 HD2 :: 7.119 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 :: 124.541 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P27 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> P 0.89 C 0.09 C Shift Assignments>> C :: 178.517 CA :: 64.517 CB :: 31.501 CG :: 27.168 CD :: 50.272 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 :: 4.054 HB2 :: 2.180 HB3 :: 1.935 HG2 :: 1.908 HG3 :: 1.784 HD2 :: 3.095 HD3 :: 2.280(S) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 103.905(A) Ave N Shift Values>> N :: 127.4(10.05) 1.S28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.287 CA :: 60.679 CB :: 63.096 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.413(S) HA :: 4.399 HB2 :: 4.006 HB3 :: 3.941 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.629 Ave N Shift Values>> N :: 116.3(3.95) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.18 D 0.16 K 0.12 C 0.1 F 0.05 Y 0.03 N 0.02 G 0.02 C Shift Assignments>> C :: 175.058 CA :: 54.408 CB :: 42.681 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.134 HA :: 4.735 HB2 :: 2.756 HB3 :: 2.746 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.289 Ave N Shift Values>> N :: 120.73(4.2) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.2 G 0.17 A 0.03 C Shift Assignments>> C :: 174.015 CA :: 58.894 CB :: 43.089 CG1 :: 24.772 CG2 :: 18.854 CD1 :: 14.684 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 :: 7.096 HA :: 5.072 HB :: 1.455 HG12 :: 1.247 HG13 :: 1.084 HG21 :: 0.489 HG22 :: 0.489 HG23 :: 0.489 HD11 :: 0.613 HD12 :: 0.613 HD13 :: 0.613 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 :: 111.918 Ave N Shift Values>> N :: 121.6(4.72) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 M 0.29 E 0.24 Q 0.03 K 0.01 C Shift Assignments>> C :: 175.312 CA :: 55.003 CB :: 32.255 CG :: 35.989 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 :: 7.979 HA :: 4.489 HB2 :: 1.849 HB3 :: 1.735 HG2 :: 2.063 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 :: 121.274 Ave N Shift Values>> N :: 120.68(3.68) 1.V32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 174.241 CA :: 60.978 CB :: 33.990 CG1 :: 22.107 CG2 :: 20.728 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 :: 8.383 HA :: 4.803 HB :: 0.648(S) HG11 :: 0.365 HG12 :: 0.365 HG13 :: 0.365 HG21 :: 0.160 HG22 :: 0.160 HG23 :: 0.160 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 :: 127.339 Ave N Shift Values>> N :: 121.02(4.96) 1.D33 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 HN Overlap>> 1.V4 1.V4 C Shift Assignments>> C :: 174.350 CA :: 52.536 CB :: 46.039 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.995 HA :: 5.049 HB2 :: 2.131 HB3 :: 2.423 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 :: 123.728 Ave N Shift Values>> N :: 120.73(4.2) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.23 R 0.2 G 0.1 HN Overlap>> 1.K36 1.K36 C Shift Assignments>> C :: 174.592 CA :: 53.604 CB :: 43.304 CG :: 27.756 CD1 :: 24.784 CD2 :: 26.372 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 :: 8.998 HA :: 5.013 HB2 :: 1.583 HB3 :: 1.178 HG :: 1.585 HD11 :: 0.755 HD12 :: 0.755 HD13 :: 0.755 HD21 :: 0.708 HD22 :: 0.708 HD23 :: 0.708 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 :: 121.299 Ave N Shift Values>> N :: 121.98(4.07) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.19 C 0.13 A 0.08 C Shift Assignments>> C :: 175.537 CA :: 52.775 CB :: 45.538 CG :: 26.778 CD1 :: 26.086 CD2 :: 22.580 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 :: 8.992 HA :: 4.989 HB2 :: 1.596 HB3 :: 0.760 HG :: 1.173 HD11 :: 0.591 HD12 :: 0.591 HD13 :: 0.591 HD21 :: 0.375 HD22 :: 0.375 HD23 :: 0.375 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.224 Ave N Shift Values>> N :: 121.98(4.07) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.34 R 0.21 M 0.03 HN Overlap>> 1.L34 1.L34 C Shift Assignments>> C :: 176.494 CA :: 54.223 CB :: 34.207 CG :: 25.398 CD :: 29.826 CE :: 41.897 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 :: 8.912 HA :: 4.369 HB2 :: 1.758 HB3 :: 1.449 HG2 :: 0.797 HG3 :: 0.590 HD2 :: 1.623 HD3 :: 1.758 HE2 :: 2.834 HE3 :: 2.759 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 :: 121.275 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 C 0.26 Y 0.12 E 0.11 F 0.07 D 0.05 M 0.04 I 0.01 K 0.01 C Shift Assignments>> C :: 175.729 CA :: 54.558 CB :: 37.359 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.822 HA :: 4.358 HB2 :: 2.912 HB3 :: 2.851 HD21 :: 7.834 HD22 :: 8.056 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 :: 128.370 ND2 :: 118.199 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G38 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 :: 173.098 CA :: 45.347 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.913 HA2 :: 3.315 HA3 :: 4.164 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.382 Ave N Shift Values>> N :: 109.91(4.29) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.28 E 0.25 Q 0.04 K 0.02 C Shift Assignments>> C :: 175.886 CA :: 54.339 CB :: 31.701 CG :: 35.958 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 :: 7.879 HA :: 4.566 HB2 :: 2.041 HB3 :: 1.962 HG2 :: 2.288 HG3 :: 2.152 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.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.36 K 0.13 G 0.07 C Shift Assignments>> C :: 176.398 CA :: 57.815 CB :: 30.670 CG :: 28.034 CD :: 43.432 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 :: 8.756 HA :: 4.135 HB2 :: 1.617 HB3 :: 1.626 HG2 :: 1.521 HG3 :: 1.305 HD2 :: 3.131 HD3 :: 3.033 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 :: 123.879 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.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 176.430 CA :: 61.891 CB :: 38.933 CG1 :: 28.337 CG2 :: 17.924 CD1 :: 13.897 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 :: 8.883 HA :: 3.998 HB :: 1.562 HG12 :: 1.707 HG13 :: 1.041 HG21 :: 1.004 HG22 :: 1.004 HG23 :: 1.004 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 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 :: 128.312 Ave N Shift Values>> N :: 121.6(4.72) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.14 M 0.06 K 0.03 Q 0.01 C Shift Assignments>> C :: 176.872 CA :: 59.000 CB :: 30.525 CG :: 36.564 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 :: 8.608 HA :: 4.087 HB2 :: 2.086 HB3 :: 2.014 HG2 :: 2.351 HG3 :: 2.239 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 :: 125.934 Ave N Shift Values>> N :: 120.68(3.68) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.32 R 0.26 M 0.03 C Shift Assignments>> C :: 174.442 CA :: 55.850 CB :: 31.518 CG :: 24.894 CD :: 28.972 CE :: 42.084 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 :: 8.061 HA :: 4.483 HB2 :: 1.928 HB3 :: 1.754 HG2 :: 1.389 HG3 :: 1.390 HD2 :: 1.712 HD3 :: 1.711 HE2 :: 3.001 HE3 :: 3.001 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 :: 119.107 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.487 CA :: 61.861 CB :: 34.496 CG1 :: 22.473 CG2 :: 22.103 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 :: 8.115 HA :: 4.256 HB :: 2.028 HG11 :: 0.964 HG12 :: 0.964 HG13 :: 0.964 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 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 :: 125.525 Ave N Shift Values>> N :: 121.02(4.96) 1.E45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.37 E 0.29 M 0.23 Q 0.04 K 0.03 C Shift Assignments>> C :: 174.233 CA :: 54.529 CB :: 31.340 CG :: 36.111 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 :: 8.705 HA :: 4.497 HB2 :: 0.463(S) HB3 :: 1.542 HG2 :: 2.027 HG3 :: 2.025 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 :: 127.599 Ave N Shift Values>> N :: 120.68(3.68) 1.H46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.34 H 0.14 C Shift Assignments>> C :: 174.879 CA :: 54.064 CB :: 32.330 CD2 :: 125.542 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 :: 8.408 HA :: 5.565 HB2 :: 2.695 HB3 :: 2.695 HD2 :: 6.632 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 :: 116.755 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 171.842 CA :: 57.306 CB :: 66.109 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.819 HA :: 4.389 HB2 :: 3.635 HB3 :: 3.505 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 :: 119.035 Ave N Shift Values>> N :: 116.3(3.95) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.17 L 0.14 C 0.12 F 0.09 Y 0.08 K 0.06 C Shift Assignments>> C :: 176.633 CA :: 54.074 CB :: 40.518 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.263 HA :: 4.735 HB2 :: 2.997 HB3 :: 2.572 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 :: 122.240 Ave N Shift Values>> N :: 120.73(4.2) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.24 R 0.09 A 0.04 G 0.01 C Shift Assignments>> CA :: 54.168 CB :: 42.049 CG :: 26.908 CD1 :: 26.575 CD2 :: 23.214 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 :: 8.463 HA :: 4.583 HB2 :: 1.575 HB3 :: 1.501 HG :: 1.462 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 HD21 :: 0.769 HD22 :: 0.769 HD23 :: 0.769 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 :: 127.815 Ave N Shift Values>> N :: 121.98(4.07) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 T 0.18 V 0.17 F 0.06 C 0.06 P 0.05 Y 0.05 S 0.04 W 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 173.763 CA :: 61.291 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.892 HA :: 4.157 HB2 :: 3.719 HB3 :: 3.651 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.384 Ave N Shift Values>> N :: 116.3(3.95) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.11 S 0.11 Y 0.1 W 0.09 C 0.09 E 0.08 R 0.06 K 0.06 Q 0.05 H 0.04 M 0.04 I 0.02 L 0.02 V 0.02 T 0.01 C Shift Assignments>> CA :: 58.344 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 :: 8.324 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 :: 119.299 Ave N Shift Values>> N :: 120.69(4.18) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.11 Y 0.11 W 0.1 S 0.09 C 0.09 E 0.08 R 0.07 K 0.06 Q 0.05 H 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 HN Overlap>> 1.Y58 1.Y58 C Shift Assignments>> CA :: 58.178 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.751 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 :: 116.392 Ave N Shift Values>> N :: 116.3(3.95) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.33 R 0.31 K 0.3 L 0.01 M 0.01 C Shift Assignments>> C :: 176.158 CA :: 57.078 CB :: 29.903 CG :: 24.257 CD :: 28.613 CE :: 41.944 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>> HA :: 4.194 HB2 :: 1.578 HB3 :: 1.578 HG2 :: 1.119 HG3 :: 1.120 HD2 :: 1.444 HD3 :: 1.344 HE2 :: 2.587 HE3 :: 2.587 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) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.2 K 0.13 C 0.1 F 0.08 N 0.08 Y 0.07 R 0.04 C Shift Assignments>> C :: 175.478 CA :: 54.518 CB :: 41.256 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.025 HA :: 4.559 HB2 :: 2.605 HB3 :: 2.466 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 :: 118.624 Ave N Shift Values>> N :: 120.73(4.2) 1.W55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.45 H 0.02 C Shift Assignments>> C :: 174.562 CA :: 57.054 CB :: 30.967 CD1 :: 126.702 CE3 :: 120.557 CZ2 :: 114.158 CZ3 :: 121.453 CH2 :: 124.217 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 :: 7.931 HA :: 4.696 HB2 :: 3.314 HB3 :: 3.208 HD1 :: 7.116 HE1 :: 9.982 HE3 :: 7.491 HZ2 :: 7.328 HZ3 :: 7.038 HH2 :: 7.198 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 :: 119.784 NE1 :: 128.622 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.939 CB :: 63.536 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.645 HA :: 4.183 HB2 :: 3.758 HB3 :: 3.688 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.535 Ave N Shift Values>> N :: 116.3(3.95) 1.F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> CA :: 57.851 CB :: 41.194 CD1 :: 131.415 CD2 :: 131.415 CE1 :: 131.219 CE2 :: 131.219 CZ :: 130.715 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 :: 7.889 HA :: 4.827 HB2 :: 3.029 HB3 :: 2.587 HD1 :: 7.116 HD2 :: 7.116 HE1 :: 7.399 HE2 :: 7.399 HZ :: 7.022 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 :: 119.972 Ave N Shift Values>> N :: 120.69(4.18) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 HN Overlap>> 1.S52 1.S52 C Shift Assignments>> C :: 172.332 CA :: 57.837 CB :: 40.081 CD1 :: 132.681 CD2 :: 132.681 CE1 :: 117.173 CE2 :: 117.173 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 :: 7.796 HA :: 5.064 HB2 :: 2.672 HB3 :: 2.671 HD1 :: 6.934 HD2 :: 6.934 HE1 :: 6.514 HE2 :: 6.514 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 :: 116.378 Ave N Shift Values>> N :: 120.79(4.69) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 C 0.35 L 0.15 A 0.08 C Shift Assignments>> C :: 173.602 CA :: 53.535 CB :: 46.652 CG :: 27.412 CD1 :: 26.797 CD2 :: 23.076 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 :: 8.706 HA :: 4.772 HB2 :: 2.096 HB3 :: 1.525 HG :: 1.757 HD11 :: 1.082 HD12 :: 1.082 HD13 :: 1.082 HD21 :: 1.037 HD22 :: 1.037 HD23 :: 1.037 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 :: 124.333 Ave N Shift Values>> N :: 121.98(4.07) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 A 0.25 C 0.17 L 0.17 R 0.05 C Shift Assignments>> C :: 174.618 CA :: 53.379 CB :: 44.634 CG :: 27.739 CD1 :: 25.553 CD2 :: 21.236 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 :: 8.342 HA :: 5.039 HB2 :: 1.590 HB3 :: 1.096 HG :: 1.246 HD11 :: 0.523 HD12 :: 0.523 HD13 :: 0.523 HD21 :: 0.206 HD22 :: 0.206 HD23 :: 0.206 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 :: 121.796 Ave N Shift Values>> N :: 121.98(4.07) 1.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 174.414 CA :: 56.652 CB :: 40.358 CD1 :: 132.943 CD2 :: 132.943 CE1 :: 117.922 CE2 :: 117.922 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 :: 9.149 HA :: 5.399 HB2 :: 2.754 HB3 :: 2.638 HD1 :: 7.000 HD2 :: 7.000 HE1 :: 6.429 HE2 :: 6.429 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 :: 127.873 Ave N Shift Values>> N :: 120.79(4.69) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.36 G 0.06 C Shift Assignments>> C :: 173.583 CA :: 55.689 CB :: 42.718 CD1 :: 132.957 CD2 :: 132.957 CE1 :: 117.648 CE2 :: 117.648 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 :: 9.148 HA :: 6.127 HB2 :: 2.884 HB3 :: 2.884 HD1 :: 6.650 HD2 :: 6.650 HE1 :: 6.482 HE2 :: 6.482 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 :: 118.786 Ave N Shift Values>> N :: 120.79(4.69) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.11 C Shift Assignments>> C :: 171.702 CA :: 60.244 CB :: 70.133 CG2 :: 19.680 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 :: 8.211 HA :: 4.853 HB :: 4.101 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 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 :: 111.951 Ave N Shift Values>> N :: 115.7(5.05) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.08 M 0.08 I 0.05 Q 0.04 C Shift Assignments>> C :: 175.683 CA :: 56.733 CB :: 30.050 CG :: 36.278 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 :: 8.572 HA :: 4.335 HB2 :: 1.736 HB3 :: 1.832 HG2 :: 1.888 HG3 :: 1.888 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 :: 129.501 Ave N Shift Values>> N :: 120.68(3.68) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.36 C Shift Assignments>> C :: 171.828 CA :: 55.365 CB :: 41.049 CD1 :: 131.263 CD2 :: 131.263 CE1 :: 129.461 CE2 :: 129.461 CZ :: 127.743 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 :: 8.741 HA :: 4.829 HB2 :: 2.787 HB3 :: 2.676 HD1 :: 6.185 HD2 :: 6.185 HE1 :: 6.217 HE2 :: 6.217 HZ :: 5.735 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 :: 125.438 Ave N Shift Values>> N :: 120.69(4.18) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.18 A 0.02 C Shift Assignments>> C :: 171.966 CA :: 58.589 CB :: 70.072 CG2 :: 20.596 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 :: 8.383 HA :: 4.461 HB :: 3.851 HG21 :: 0.836 HG22 :: 0.836 HG23 :: 0.836 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 :: 117.339 Ave N Shift Values>> N :: 115.7(5.05) 1.P67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 175.025 CA :: 63.086 CB :: 32.145 CG :: 26.855 CD :: 51.103 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 :: 4.593 HB2 :: 2.430 HB3 :: 2.183 HG2 :: 2.005 HG3 :: 1.416 HD2 :: 4.002 HD3 :: 2.186(S) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 107.299 Ave N Shift Values>> N :: 127.4(10.05) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.65 C 0.34 C Shift Assignments>> C :: 175.307 CA :: 60.200 CB :: 72.890 CG2 :: 21.579 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 :: 8.136 HA :: 4.641 HB :: 4.529 HG21 :: 1.307 HG22 :: 1.307 HG23 :: 1.307 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 :: 110.392 Ave N Shift Values>> N :: 115.7(5.05) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.15 K 0.06 M 0.04 Q 0.03 C Shift Assignments>> C :: 177.844 CA :: 59.105 CB :: 29.988 CG :: 36.243 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 :: 9.190 HA :: 4.191 HB2 :: 2.079 HB3 :: 2.038 HG2 :: 2.342 HG3 :: 2.271 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 :: 118.922 Ave N Shift Values>> N :: 120.68(3.68) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.4 R 0.14 M 0.01 C Shift Assignments>> C :: 176.866 CA :: 56.295 CB :: 34.127 CG :: 24.750 CD :: 28.855 CE :: 41.984 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 :: 7.927 HA :: 4.475 HB2 :: 1.862 HB3 :: 1.784 HG2 :: 1.384 HG3 :: 1.384 HD2 :: 1.657 HD3 :: 1.660 HE2 :: 2.975 HE3 :: 2.975 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 :: 113.681 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.27 C 0.11 D 0.08 K 0.07 G 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 175.217 CA :: 55.514 CB :: 43.413 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 :: 7.186 HA :: 5.104 HB2 :: 2.853 HB3 :: 2.159 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 :: 118.175 Ave N Shift Values>> N :: 120.73(4.2) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.21 E 0.19 C Shift Assignments>> C :: 175.054 CA :: 54.842 CB :: 32.914 CG :: 36.869 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 :: 8.656 HA :: 4.806 HB2 :: 2.053 HB3 :: 1.972 HG2 :: 2.387 HG3 :: 2.114 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 :: 122.800 Ave N Shift Values>> N :: 120.68(3.68) 1.Y73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.37 G 0.11 C Shift Assignments>> C :: 175.406 CA :: 56.753 CB :: 43.150 CD1 :: 133.200 CD2 :: 133.200 CE1 :: 117.230 CE2 :: 117.230 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 :: 9.604 HA :: 5.711 HB2 :: 2.815 HB3 :: 2.727 HD1 :: 7.105 HD2 :: 7.105 HE1 :: 6.899 HE2 :: 6.899 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 :: 123.478 Ave N Shift Values>> N :: 120.79(4.69) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.21 K 0.11 P 0.1 M 0.04 A 0.03 R 0.03 C Shift Assignments>> C :: 173.725 CA :: 51.104 CB :: 24.174 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.789 HA :: 5.046 HB1 :: 1.209 HB2 :: 1.209 HB3 :: 1.209 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.046 Ave N Shift Values>> N :: 123.23(3.7) 1.C75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.18 D 0.15 C 0.12 G 0.11 K 0.04 F 0.02 Y 0.02 N 0.02 C Shift Assignments>> C :: 171.096 CA :: 53.126 CB :: 43.365 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.165 HA :: 5.040 HB2 :: 2.611 HB3 :: 3.010 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.985 Ave N Shift Values>> N :: 119.95(4.79) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.3 R 0.11 K 0.05 C Shift Assignments>> C :: 173.518 CA :: 53.689 CB :: 34.470 CG :: 26.562 CD :: 43.938 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 :: 9.406 HA :: 5.409 HB2 :: 1.882 HB3 :: 1.146 HG2 :: 1.327 HG3 :: 1.308 HD2 :: 3.091 HD3 :: 2.892 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 :: 128.416 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.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.47 I 0.01 C Shift Assignments>> C :: 173.883 CA :: 61.027 CB :: 35.062 CG1 :: 20.855 CG2 :: 22.812 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 :: 9.103 HA :: 4.579 HB :: 1.761 HG11 :: 0.533 HG12 :: 0.533 HG13 :: 0.533 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 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 :: 126.585 Ave N Shift Values>> N :: 121.02(4.96) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.18 L 0.16 C 0.15 K 0.05 F 0.03 R 0.03 Y 0.02 G 0.01 C Shift Assignments>> C :: 173.370 CA :: 50.960 CB :: 41.668 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 :: 8.889 HA :: 5.133 HB2 :: 2.425 HB3 :: 2.789 HD21 :: 7.457 HD22 :: 6.666 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 :: 124.797 ND2 :: 111.419 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 H 0.15 Y 0.1 W 0.1 C Shift Assignments>> C :: 175.974 CA :: 56.737 CB :: 34.289 CD2 :: 118.523 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.991 HA :: 4.629 HB2 :: 2.612 HB3 :: 2.553 HD2 :: 6.551 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 :: 123.041 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 176.787 CA :: 64.959 CB :: 31.688 CG1 :: 20.378 CG2 :: 20.400 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 :: 7.751 HA :: 3.926 HB :: 2.024 HG11 :: 0.849 HG12 :: 0.849 HG13 :: 0.849 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 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 :: 124.198 Ave N Shift Values>> N :: 121.02(4.96) 1.T81 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 :: 175.291 CA :: 63.283 CB :: 70.007 CG2 :: 22.868 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 :: 8.819 HA :: 4.331 HB :: 4.424 HG21 :: 1.430 HG22 :: 1.430 HG23 :: 1.430 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 :: 112.899 Ave N Shift Values>> N :: 115.7(5.05) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.22 R 0.07 A 0.06 G 0.02 C Shift Assignments>> C :: 177.647 CA :: 54.102 CB :: 42.415 CG :: 26.914 CD1 :: 25.666 CD2 :: 22.840 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.979 HA :: 4.622 HB2 :: 1.848 HB3 :: 1.664 HG :: 1.551 HD11 :: 0.865 HD12 :: 0.865 HD13 :: 0.865 HD21 :: 0.907 HD22 :: 0.907 HD23 :: 0.907 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 :: 122.409 Ave N Shift Values>> N :: 121.98(4.07) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.252 CA :: 60.039 CB :: 63.007 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.257 HB2 :: 3.954 HB3 :: 3.954 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 M 0.2 K 0.19 E 0.03 R 0.03 C Shift Assignments>> C :: 172.720 CA :: 53.273 CB :: 30.128 CG :: 33.141 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 :: 7.596 HA :: 4.767 HB2 :: 2.130 HB3 :: 1.895 HG2 :: 2.303 HG3 :: 2.304 HE21 :: 7.609 HE22 :: 6.912 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 :: 117.787 NE2 :: 112.287 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P85 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.280 CA :: 63.039 CB :: 32.402 CG :: 27.160 CD :: 50.333 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 :: 4.621 HB2 :: 1.918 HB3 :: 1.476 HG2 :: 1.933 HG3 :: 1.850 HD2 :: 3.603 HD3 :: 3.725 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) N Shift Assignments>> N :: 101.071(A) Ave N Shift Values>> N :: 127.4(10.05) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.36 R 0.17 M 0.01 G 0.01 C Shift Assignments>> C :: 174.814 CA :: 55.115 CB :: 34.309 CG :: 25.042 CD :: 28.927 CE :: 42.180 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 :: 8.590 HA :: 4.509 HB2 :: 1.726 HB3 :: 1.758 HG2 :: 1.427 HG3 :: 1.385 HD2 :: 1.704 HD3 :: 1.704 HE2 :: 3.017 HE3 :: 3.017 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 :: 123.355 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 175.736 CA :: 60.375 CB :: 39.740 CG1 :: 28.408 CG2 :: 18.004 CD1 :: 13.423 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 :: 8.539 HA :: 4.901 HB :: 1.647 HG12 :: 1.413 HG13 :: 0.692 HG21 :: 0.633 HG22 :: 0.633 HG23 :: 0.633 HD11 :: 0.743 HD12 :: 0.743 HD13 :: 0.743 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 :: 124.276 Ave N Shift Values>> N :: 121.6(4.72) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 174.961 CA :: 61.512 CB :: 34.576 CG1 :: 22.121 CG2 :: 21.662 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 :: 9.042 HA :: 4.343 HB :: 1.850 HG11 :: 0.949 HG12 :: 0.949 HG13 :: 0.949 HG21 :: 1.037 HG22 :: 1.037 HG23 :: 1.037 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 :: 129.414 Ave N Shift Values>> N :: 121.02(4.96) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.23 M 0.01 C Shift Assignments>> C :: 176.221 CA :: 56.424 CB :: 33.825 CG :: 25.596 CD :: 29.320 CE :: 41.977 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 :: 8.879 HA :: 4.478 HB2 :: 1.842 HB3 :: 1.789 HG2 :: 1.531 HG3 :: 1.418 HD2 :: 1.696 HD3 :: 1.697 HE2 :: 2.961 HE3 :: 2.962 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 :: 127.660 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.42 HN Overlap>> 1.Y5 1.Y5 C Shift Assignments>> C :: 174.468 CA :: 56.833 CB :: 28.504 CD1 :: 125.198 CE3 :: 121.044 CZ2 :: 113.131 CZ3 :: 121.620 CH2 :: 123.260 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.790 HA :: 4.632 HB2 :: 3.525 HB3 :: 2.609 HD1 :: 7.184 HE1 :: 10.664 HE3 :: 8.001 HZ2 :: 7.646 HZ3 :: 7.542 HH2 :: 6.963 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 :: 122.629 NE1 :: 129.872 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.11 C 0.11 K 0.1 R 0.05 F 0.05 Y 0.03 C Shift Assignments>> C :: 175.238 CA :: 52.866 CB :: 41.679 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.687 HA :: 4.519 HB2 :: 2.799 HB3 :: 2.457 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 :: 131.855 Ave N Shift Values>> N :: 120.73(4.2) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.32 K 0.15 G 0.1 L 0.04 C Shift Assignments>> C :: 175.759 CA :: 56.711 CB :: 30.078 CG :: 25.113 CD :: 43.641 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 :: 7.663 HA :: 3.486 HB2 :: 1.400 HB3 :: 1.052 HG2 :: 1.163 HG3 :: 0.907 HD2 :: 2.962 HD3 :: 2.887 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 :: 121.885 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.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 K 0.13 C 0.11 F 0.09 Y 0.07 N 0.07 R 0.03 C Shift Assignments>> C :: 175.298 CA :: 54.694 CB :: 41.171 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.299 HA :: 4.677 HB2 :: 2.589 HB3 :: 2.791 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 :: 120.370 Ave N Shift Values>> N :: 120.73(4.2) 1.M94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 M 0.32 Q 0.14 E 0.13 K 0.02 C Shift Assignments>> C :: 180.885 CA :: 57.363 CB :: 34.091 CG :: 32.390 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 :: 7.617 HA :: 4.269 HB2 :: 2.156 HB3 :: 2.030 HG2 :: 2.585 HG3 :: 2.523 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 :: 125.332 Ave N Shift Values>> N :: 120.1(3.88) ########################################################################### Overall Results: #Consistent: 87 #Clerical: 0 #Suspicious: 5 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 94 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 94 #Suspicious: 0 C Shift Results: #Consistent: 423 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 640 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 95 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 Error Summary: 1.L18 HB3 = -0.744(S), Expected = 1.57, Std = 0.3600, ChiSquare = 1.2948e-10 1.L18 HG = 0.043(S), Expected = 1.54, Std = 0.3300, ChiSquare = 5.7232e-06 1.L18 HD11 = -0.602(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.7450e-07 1.L18 HD12 = -0.602(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.7450e-07 1.L18 HD13 = -0.602(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.7450e-07 1.P27 HD3 = 2.280(S), Expected = 3.63, Std = 0.4000, ChiSquare = 7.3816e-04 1.P27 N = 103.905(A), Expected = 127.40, Std = 10.0500, ChiSquare = 1.9397e-02 1.S28 H = 10.413(S), Expected = 8.29, Std = 0.6200, ChiSquare = 6.1663e-04 1.V32 HB = 0.648(S), Expected = 1.99, Std = 0.3300, ChiSquare = 4.7690e-05 1.E45 HB2 = 0.463(S), Expected = 2.04, Std = 0.2200, ChiSquare = 7.6000e-13 1.P67 HD3 = 2.186(S), Expected = 3.63, Std = 0.4000, ChiSquare = 3.0620e-04 1.P85 N = 101.071(A), Expected = 127.40, Std = 10.0500, ChiSquare = 8.7981e-03