M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.53 M 0.28 V 0.05 I 0.04 A 0.02 Q 0.01 C Shift Assignments>> C :: 176.823 CA :: 55.886 CB :: 35.716 CE :: 23.573 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>> HB2 :: 2.095 HB3 :: 2.095 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) D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.2 D 0.19 K 0.19 F 0.15 Y 0.13 R 0.04 N 0.04 I 0.01 C Shift Assignments>> C :: 176.223 CA :: 56.028 CB :: 41.118 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 :: 8.124 HA :: 4.472 HB2 :: 2.846 HB3 :: 2.707 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 :: 122.344 Ave N Shift Values>> N :: 120.73(4.2) D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.22 K 0.19 F 0.12 Y 0.1 R 0.05 N 0.05 C Shift Assignments>> C :: 176.222 CA :: 55.390 CB :: 41.282 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 :: 8.424 HA :: 4.675 HB2 :: 2.686 HB3 :: 2.580 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 :: 115.625 Ave N Shift Values>> N :: 120.73(4.2) I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.532 CA :: 62.980 CB :: 38.009 CG1 :: 26.115 CG2 :: 17.209 CD1 :: 13.569 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 :: 7.981 HA :: 3.997 HB :: 1.844 HG2 :: 0.373 HG12 :: 1.191 HG13 :: 1.191 HD1 :: 0.528 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 :: 113.930 Ave N Shift Values>> N :: 121.6(4.72) V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 A 0.15 C Shift Assignments>> C :: 176.158 CA :: 57.886 CB :: 34.322 CG1 :: 19.645 CG2 :: 20.888 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 :: 7.762 HA :: 5.133 HB :: 2.041 HG1 :: 0.642 HG2 :: 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 :: 124.588 Ave N Shift Values>> N :: 121.02(4.96) P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 G 0.23 A 0.02 C Shift Assignments>> C :: 178.294 CA :: 63.899 CB :: 33.982 CG :: 24.275 CD :: 48.851 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 :: 5.563 HB2 :: 2.410 HB3 :: 2.149 HG2 :: 2.077 HG3 :: 1.775 HD2 :: 3.620 HD3 :: 3.493 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) D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.27 I 0.11 K 0.11 L 0.08 D 0.05 R 0.01 C Shift Assignments>> C :: 176.688 CA :: 58.523 CB :: 40.531 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 :: 8.393 HA :: 4.283 HB2 :: 2.565 HB3 :: 2.458 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 :: 124.869 Ave N Shift Values>> N :: 120.73(4.2) V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> L77 C Shift Assignments>> C :: 172.993 CA :: 63.698 CB :: 34.428 CG1 :: 20.714 CG2 :: 22.132 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 :: 8.082 HA :: 4.202 HB :: 2.004 HG1 :: 0.992 HG2 :: 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 :: 115.839 Ave N Shift Values>> N :: 121.02(4.96) L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 A 0.35 L 0.09 C Shift Assignments>> C :: 176.081 CA :: 51.992 CB :: 47.627 CD1 :: 26.365 CD2 :: 23.051 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 :: 7.274 HA :: 4.907 HB2 :: 1.742 HB3 :: 1.381 HG :: 1.439 HD1 :: 0.862 HD2 :: 1.092 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 :: 114.010 Ave N Shift Values>> N :: 121.98(4.07) D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.22 K 0.2 F 0.11 Y 0.09 R 0.07 N 0.04 C Shift Assignments>> C :: 176.199 CA :: 55.289 CB :: 41.477 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 :: 8.938 HA :: 4.609 HB2 :: 2.846 HB3 :: 2.634 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.300 Ave N Shift Values>> N :: 120.73(4.2) A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 L 0.16 M 0.14 C Shift Assignments>> C :: 175.779 CA :: 51.211 CB :: 21.645 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.521 HA :: 4.451 HB :: 1.340 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.670 Ave N Shift Values>> N :: 123.23(3.7) V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.977 CA :: 61.182 CB :: 32.842 CG1 :: 22.752 CG2 :: 20.888 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 :: 8.892 HA :: 3.922 HB :: 2.035 HG1 :: 1.000 HG2 :: 1.056 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 :: 123.201 Ave N Shift Values>> N :: 121.02(4.96) P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.259 CA :: 62.245 CB :: 32.366 CG :: 28.094 CD :: 50.528 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 :: 4.559 HB2 :: 2.168 HB3 :: 1.594 HG2 :: 1.739 HG3 :: 1.651 HD2 :: 4.146 HD3 :: 3.447 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) A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.36 C Shift Assignments>> C :: 176.235 CA :: 53.953 CB :: 19.087 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.957 HA :: 4.266 HB :: 1.542 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.390 Ave N Shift Values>> N :: 123.23(3.7) G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 173.581 CA :: 44.886 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.369 HA2 :: 3.839 HA3 :: 4.636 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.379 Ave N Shift Values>> N :: 109.91(4.29) T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> T57 Y73 C Shift Assignments>> C :: 172.901 CA :: 60.116 CB :: 70.882 CG2 :: 20.293 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 :: 8.704 HA :: 5.319 HB :: 4.169 HG2 :: 1.282 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 :: 116.599 Ave N Shift Values>> N :: 115.7(5.05) I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 G 0.14 C Shift Assignments>> C :: 174.095 CA :: 60.567 CB :: 42.465 CG1 :: 28.732 CG2 :: 19.233 CD1 :: 15.605 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 :: 6.992 HA :: 4.265 HB :: 1.400 HG2 :: 1.009 HG12 :: 0.672 HG13 :: 1.419 HD1 :: 0.772 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 :: 122.363 Ave N Shift Values>> N :: 121.6(4.72) K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.29 M 0.06 G 0.01 C Shift Assignments>> C :: 175.403 CA :: 56.176 CB :: 32.524 CG :: 24.981 CD :: 29.517 CE :: 42.015 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 :: 9.121 HA :: 4.823 HB2 :: 2.058 HB3 :: 1.739 HG2 :: 1.428 HG3 :: 1.292 HD2 :: 1.624 HD3 :: 1.624 HE2 :: 2.926 HE3 :: 2.948 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 :: 131.437 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 I 0.26 HN Overlap>> H78 E126 C Shift Assignments>> C :: 174.161 CA :: 61.690 CB :: 34.218 CG1 :: 18.927 CG2 :: 23.826 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 :: 8.684 HA :: 4.595 HB :: 1.689 HG1 :: 0.269 HG2 :: 0.370 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 :: 127.290 Ave N Shift Values>> N :: 121.02(4.96) I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.647 CA :: 59.577 CB :: 40.743 CG1 :: 27.031 CG2 :: 17.382 CD1 :: 12.586 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 :: 8.689 HA :: 4.658 HB :: 1.733 HG2 :: 0.720 HG12 :: 1.405 HG13 :: 1.019 HD1 :: 0.753 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 :: 125.833 Ave N Shift Values>> N :: 121.6(4.72) Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.26 K 0.13 I 0.12 L 0.08 D 0.04 R 0.02 C Shift Assignments>> C :: 175.646 CA :: 58.832 CB :: 40.743 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 :: 9.109 HA :: 4.508 HB2 :: 3.044 HB3 :: 2.590 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 :: 127.690 Ave N Shift Values>> N :: 120.79(4.69) G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 174.090 CA :: 46.303 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.302 HA2 :: 3.870 HA3 :: 3.938 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.950 Ave N Shift Values>> N :: 109.91(4.29) D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.18 L 0.18 Y 0.16 K 0.14 N 0.05 R 0.02 I 0.02 C Shift Assignments>> C :: 176.989 CA :: 56.038 CB :: 40.691 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 :: 8.693 HA :: 4.493 HB2 :: 2.693 HB3 :: 2.595 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 :: 120.780 Ave N Shift Values>> N :: 120.73(4.2) D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.19 N 0.13 F 0.11 K 0.1 Y 0.1 R 0.01 C Shift Assignments>> C :: 175.349 CA :: 54.601 CB :: 40.747 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 :: 8.151 HA :: 4.475 HB2 :: 2.841 HB3 :: 2.730 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.470 Ave N Shift Values>> N :: 120.73(4.2) L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.03 A 0.02 C Shift Assignments>> C :: 174.831 CA :: 54.006 CB :: 41.650 CG :: 26.289 CD1 :: 25.510 CD2 :: 23.976 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 :: 8.120 HA :: 4.643 HB2 :: 1.804 HB3 :: 1.350 HG :: 1.623 HD1 :: 0.884 HD2 :: 0.825 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 :: 121.770 Ave N Shift Values>> N :: 121.98(4.07) E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 M 0.36 I 0.03 K 0.01 Q 0.01 C Shift Assignments>> C :: 176.497 CA :: 55.730 CB :: 31.994 CG :: 36.783 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 :: 8.182 HA :: 4.944 HB2 :: 1.921 HB3 :: 1.808 HG2 :: 2.407 HG3 :: 2.214 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 :: 124.574 Ave N Shift Values>> N :: 120.68(3.68) V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.753 CA :: 64.189 CB :: 33.254 CG1 :: 23.806 CG2 :: 23.084 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 :: 8.504 HA :: 3.996 HB :: 2.291 HG1 :: 1.196 HG2 :: 1.278 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 :: 125.550 Ave N Shift Values>> N :: 121.02(4.96) K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.25 G 0.07 M 0.07 C Shift Assignments>> C :: 174.504 CA :: 54.465 CB :: 33.291 CG :: 24.331 CD :: 29.331 CE :: 42.946 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 :: 9.955 HA :: 4.913 HB2 :: 1.915 HB3 :: 1.444 HG2 :: 1.343 HG3 :: 1.343 HD2 :: 1.768 HD3 :: 1.768 HE2 :: 3.038 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 :: 133.910 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.87 E 0.12 HN Overlap>> Y162 C Shift Assignments>> C :: 176.235 CA :: 58.003 CB :: 25.450 CG :: 33.281 CD :: 180.872 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 :: 8.788 HA :: 3.838 HB2 :: 2.146 HB3 :: 2.525 HG2 :: 2.661 HG3 :: 2.661 HE21 :: 7.426 HE22 :: 7.112 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 :: 116.814 NE2 :: 110.117 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.83 L 0.1 R 0.04 C Shift Assignments>> C :: 174.783 CA :: 45.261 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.321 HA2 :: 2.555(S) HA3 :: 4.216 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.800 Ave N Shift Values>> N :: 109.91(4.29) N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.79 D 0.1 E 0.07 Q 0.02 C Shift Assignments>> C :: 172.298 CA :: 53.731 CB :: 36.300 CG :: 177.691 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 :: 8.953 HA :: 4.591 HB2 :: 3.060 HB3 :: 3.060 HD21 :: 8.143 HD22 :: 7.055 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 :: 117.660 ND2 :: 113.593 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.19 K 0.08 I 0.04 Q 0.03 C Shift Assignments>> C :: 176.696 CA :: 55.171 CB :: 30.458 CG :: 36.730 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 :: 8.735 HA :: 5.480 HB2 :: 2.042 HB3 :: 1.955 HG2 :: 2.362 HG3 :: 2.132 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 :: 121.080 Ave N Shift Values>> N :: 120.68(3.68) L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.28 R 0.02 C Shift Assignments>> C :: 176.897 CA :: 53.213 CB :: 45.658 CG :: 27.894 CD1 :: 25.824 CD2 :: 24.500 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 :: 8.984 HA :: 4.914 HB2 :: 1.135 HB3 :: 1.000 HG :: 1.402 HD1 :: 0.064 HD2 :: 0.698 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 :: 128.250 Ave N Shift Values>> N :: 121.98(4.07) T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 S 0.02 C Shift Assignments>> C :: 174.343 CA :: 58.933 CB :: 68.610 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 :: 8.824 HA :: 5.024 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 :: 112.140 Ave N Shift Values>> N :: 115.7(5.05) P35 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.9 L 0.06 I 0.02 C Shift Assignments>> C :: 175.906 CA :: 54.539(S) CB :: 41.187(S) CG :: 19.368(S) 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 :: 4.397 HB2 :: 2.616 HB3 :: 2.709 HG2 :: 1.428 HG3 :: 1.428 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) T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.149 CA :: 61.043 CB :: 69.331 CG2 :: 21.672 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 :: 8.238 HA :: 5.053 HB :: 4.543 HG2 :: 1.276 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 :: 121.299 Ave N Shift Values>> N :: 115.7(5.05) Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.59 E 0.4 HN Overlap>> T128 C Shift Assignments>> C :: 178.771 CA :: 58.333 CB :: 28.438 CG :: 34.944 CD :: 179.392 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 :: 7.654 HA :: 3.860 HB2 :: 1.516 HB3 :: 1.516 HG2 :: 2.417 HG3 :: 2.417 HE21 :: 7.568 HE22 :: 6.597 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 :: 119.560 NE2 :: 109.983 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.9 I 0.04 A 0.04 C Shift Assignments>> C :: 175.997 CA :: 59.323 CB :: 30.835 CG1 :: 18.525 CG2 :: 20.229 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 :: 7.082 HA :: 4.403 HB :: 1.851 HG1 :: -0.755(S) HG2 :: 0.761 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 :: 108.258 Ave N Shift Values>> N :: 121.02(4.96) K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 R 0.42 M 0.12 G 0.01 C Shift Assignments>> C :: 175.475 CA :: 58.712 CB :: 31.857 CG :: 22.648 CD :: 29.107 CE :: 42.015 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 :: 6.773 HA :: 4.231 HB2 :: 1.853 HB3 :: 1.430 HG2 :: 1.233 HG3 :: 1.306 HD2 :: 1.146 HD3 :: 1.300 HE2 :: 2.881 HE3 :: 2.868 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 :: 120.874 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 D 0.21 R 0.18 G 0.09 K 0.06 N 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 173.455 CA :: 52.717 CB :: 43.089 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 :: 8.429 HA :: 5.078 HB2 :: 2.631 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 :: 121.010 Ave N Shift Values>> N :: 120.73(4.2) Q41 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> Q 0.84 E 0.14 C Shift Assignments>> C :: 174.114 CA :: 53.334 CB :: 30.194 CG :: 33.513 CD :: 179.825 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 :: 7.915 HA :: 1.968(M) HB2 :: 1.362 HB3 :: 1.362 HG2 :: 2.028 HG3 :: 2.028 HE21 :: 7.662 HE22 :: 5.885 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 :: 119.541 NE2 :: 113.224 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) SRO Rule Breaks>> (HA > HG2 : 1.0000) (HA > HG3 : 0.9995) P42 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.850 CA :: 61.871 CB :: 31.369 CG :: 25.883 CD :: 50.093 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 :: 4.160 HB2 :: 0.996 HB3 :: -0.237(M) HG2 :: 1.658 HG3 :: 1.540 HD2 :: 2.886 HD3 :: 2.381 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) I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.962 CA :: 61.293 CB :: 37.935 CG1 :: 27.429 CG2 :: 17.339 CD1 :: 12.290 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 :: 8.329 HA :: 4.040 HB :: 1.732 HG2 :: 0.794 HG12 :: 1.566 HG13 :: 1.156 HD1 :: 0.814 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 :: 119.100 Ave N Shift Values>> N :: 121.6(4.72) V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.828 CA :: 60.023 CB :: 34.648 CG1 :: 22.752 CG2 :: 22.990 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 :: 8.290 HA :: 5.278 HB :: 1.833 HG1 :: 1.135 HG2 :: 1.089 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 :: 128.750 Ave N Shift Values>> N :: 121.02(4.96) S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.88 T 0.11 C Shift Assignments>> C :: 173.571 CA :: 57.316 CB :: 66.304 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.255 HA :: 4.686 HB2 :: 3.798 HB3 :: 3.720 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.850 Ave N Shift Values>> N :: 116.3(3.95) W46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.61 H 0.38 C Shift Assignments>> C :: 175.099 CA :: 55.987 CB :: 25.572 CD1 :: 126.120 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 :: 7.859 HA :: 5.311 HB2 :: 3.462 HB3 :: 2.951 HD1 :: 7.237 HE1 :: 10.291 HE3 :: 7.238 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 :: 118.194 NE1 :: 131.852 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> N141 C Shift Assignments>> C :: 175.659 CA :: 61.268 CB :: 62.987 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.132 HA :: 4.332 HB2 :: 3.935 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 :: 115.500 Ave N Shift Values>> N :: 116.3(3.95) G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 R 0.06 F 0.01 C Shift Assignments>> C :: 175.850 CA :: 45.072 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.676 HA2 :: 4.679 HA3 :: 3.829 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 119.777 Ave N Shift Values>> N :: 109.91(4.29) L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 R 0.23 A 0.04 G 0.03 K 0.01 C Shift Assignments>> C :: 175.734 CA :: 54.901 CB :: 42.447 CG :: 27.102 CD1 :: 27.137 CD2 :: 23.156 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 :: 8.939 HA :: 4.663 HB2 :: 2.161 HB3 :: 1.555 HG :: 1.780 HD1 :: 0.931 HD2 :: 0.929 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 :: 120.210 Ave N Shift Values>> N :: 121.98(4.07) E50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.34 Q 0.26 K 0.24 M 0.09 I 0.03 R 0.01 C Shift Assignments>> C :: 176.358 CA :: 56.741 CB :: 29.502 CG :: 35.046 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 10.464(S) HA :: 4.505 HB2 :: 2.133 HB3 :: 2.225 HG2 :: 2.358 HG3 :: 2.461 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 :: 123.750 Ave N Shift Values>> N :: 120.68(3.68) G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 175.227 CA :: 45.959 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.606 HA2 :: 3.954 HA3 :: 4.372 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.655 Ave N Shift Values>> N :: 109.91(4.29) K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.3 M 0.03 G 0.02 C Shift Assignments>> C :: 174.790 CA :: 55.295 CB :: 33.019 CG :: 25.132 CD :: 28.753 CE :: 42.321 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 :: 8.235 HA :: 4.715 HB2 :: 2.125 HB3 :: 1.678 HG2 :: 1.393 HG3 :: 1.393 HD2 :: 1.641 HD3 :: 1.641 HE2 :: 3.043 HE3 :: 3.043 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 :: 117.950 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.65 T 0.34 HN Overlap>> D168 C Shift Assignments>> C :: 174.030 CA :: 57.172 CB :: 66.976 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.853 HA :: 4.869 HB2 :: 4.270 HB3 :: 3.841 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 :: 112.160 Ave N Shift Values>> N :: 116.3(3.95) N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.35 C Shift Assignments>> C :: 177.094 CA :: 56.314 CB :: 38.785 CG :: 175.776 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 :: 9.605 HA :: 4.538 HB2 :: 3.008 HB3 :: 3.097 HD21 :: 8.091 HD22 :: 7.198 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 :: 120.205 ND2 :: 113.506 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 A 0.26 L 0.02 HN Overlap>> N174 C Shift Assignments>> C :: 176.340 CA :: 53.374 CB :: 47.599 CG :: 23.553 CD1 :: 26.088 CD2 :: 26.088 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 :: 8.393 HA :: 5.421 HB2 :: 1.382 HB3 :: 1.255 HG :: 0.789 HD1 :: 0.669 HD2 :: 0.669 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 :: 117.155 Ave N Shift Values>> N :: 121.98(4.07) L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.36 A 0.11 C Shift Assignments>> C :: 174.202 CA :: 54.877 CB :: 47.563 CD1 :: 23.681 CD2 :: 23.681 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 :: 9.422 HA :: 5.321 HB2 :: 1.500 HB3 :: 1.108 HG :: 1.423 HD1 :: 1.028 HD2 :: 0.790 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 :: 126.665 Ave N Shift Values>> N :: 121.98(4.07) T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> T16 Y73 C Shift Assignments>> C :: 171.668 CA :: 62.863 CB :: 75.020 CG2 :: 21.551 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 :: 8.635 HA :: 5.312 HB :: 3.816 HG2 :: 1.165 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 :: 116.595 Ave N Shift Values>> N :: 115.7(5.05) L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.21 A 0.14 C Shift Assignments>> C :: 173.920 CA :: 52.965 CB :: 47.148 CG :: 27.787 CD1 :: 26.809 CD2 :: 23.491 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 :: 9.502 HA :: 5.536 HB2 :: 1.502 HB3 :: 0.994 HG :: 1.158 HD1 :: 0.324 HD2 :: 1.006 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 :: 129.530 Ave N Shift Values>> N :: 121.98(4.07) L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 G 0.27 L 0.21 C Shift Assignments>> C :: 176.418 CA :: 53.009 CB :: 48.476 CG :: 27.102 CD1 :: 26.267 CD2 :: 23.427 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 :: 9.223 HA :: 5.342 HB2 :: 1.957 HB3 :: 1.399 HG :: 1.700 HD1 :: 1.087 HD2 :: 0.673 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 :: 122.450 Ave N Shift Values>> N :: 121.98(4.07) M60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.58 M 0.36 I 0.04 C Shift Assignments>> C :: 176.556 CA :: 55.201 CB :: 37.645 CG :: 32.216 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 :: 8.619 HA :: 5.976(S) HB2 :: 2.213 HB3 :: 1.947 HG2 :: 1.699 HG3 :: 1.215 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 :: 119.990 Ave N Shift Values>> N :: 120.1(3.88) V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 A 0.08 V 0.01 C Shift Assignments>> C :: 173.894 CA :: 58.851 CB :: 37.597 CG1 :: 17.159 CG2 :: 22.130 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 :: 9.210 HA :: 5.812 HB :: 2.126 HG1 :: 0.857 HG2 :: 1.109 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 :: 119.455 Ave N Shift Values>> N :: 121.02(4.96) D62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.74 D 0.09 L 0.08 R 0.03 N 0.02 C Shift Assignments>> C :: 176.201 CA :: 49.136 CB :: 43.063 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 :: 8.777 HA :: 6.078(S) HB2 :: 3.080 HB3 :: 2.622 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.400 Ave N Shift Values>> N :: 120.73(4.2) P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 V 0.12 K 0.04 I 0.03 R 0.03 C Shift Assignments>> C :: 175.873 CA :: 63.212 CB :: 32.694 CG :: 25.669 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 :: 4.729 HG2 :: 1.566 HG3 :: 1.566 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) D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.2 K 0.2 R 0.12 F 0.08 Y 0.06 N 0.03 C Shift Assignments>> C :: 170.960 CA :: 55.002 CB :: 41.994 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 :: 9.073 HA :: 4.663 HB2 :: 2.501 HB3 :: 2.302 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.417 Ave N Shift Values>> N :: 120.73(4.2) A65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.79 L 0.09 A 0.08 M 0.01 C Shift Assignments>> CA :: 48.075 CB :: 22.677 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 5.830(S) HA :: 4.643 HB :: 1.511 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.134 Ave N Shift Values>> N :: 123.23(3.7) P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 C Shift Assignments>> C :: 175.497 CA :: 65.522 CB :: 34.870 CG :: 25.391 CD :: 50.094 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 :: 5.158 HB2 :: 2.721 HB3 :: 2.400 HG2 :: 2.123 HG3 :: 2.014 HD2 :: 4.085 HD3 :: 3.199 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) T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 A 0.01 C Shift Assignments>> C :: 173.932 CA :: 59.288 CB :: 71.290 CG2 :: 20.964 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 :: 6.549 HA :: 4.438 HB :: 4.314 HG2 :: 1.202 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 :: 107.900 Ave N Shift Values>> N :: 115.7(5.05) R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 G 0.47 K 0.01 C Shift Assignments>> C :: 177.149 CA :: 59.805 CB :: 31.002 CG :: 26.873 CD :: 44.438 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 :: 8.852 HA :: 3.772 HB2 :: 1.533 HB3 :: 1.908 HG2 :: 1.723 HG3 :: 1.723 HD2 :: 3.091 HD3 :: 3.170 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 :: 124.296 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.59 E 0.4 C Shift Assignments>> C :: 176.126 CA :: 57.283 CB :: 28.698 CG :: 34.274 CD :: 180.485 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 :: 8.181 HA :: 4.171 HB2 :: 2.161 HB3 :: 2.016 HG2 :: 2.466 HG3 :: 2.466 HE21 :: 7.693 HE22 :: 6.999 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 113.105 NE2 :: 112.430 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.36 L 0.11 F 0.05 Y 0.05 K 0.02 C Shift Assignments>> C :: 173.250 CA :: 52.181 CB :: 40.341 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 :: 7.359 HA :: 4.851 HB2 :: 2.645 HB3 :: 2.409 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.800 Ave N Shift Values>> N :: 120.73(4.2) P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.94 G 0.05 C Shift Assignments>> C :: 178.236 CA :: 63.407 CB :: 28.975 CG :: 26.503 CD :: 48.851 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 :: 4.641 HB2 :: 2.512 HB3 :: 1.971 HG2 :: 1.990 HG3 :: 1.990 HD2 :: 3.539 HD3 :: 3.459 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) K72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.76 R 0.13 M 0.06 K 0.04 C Shift Assignments>> C :: 177.421 CA :: 58.998 CB :: 33.216 CG :: 24.389 CD :: 29.392 CE :: 44.897 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 :: 8.247 HA :: 4.035 HB2 :: 1.565 HB3 :: 1.391 HG2 :: 1.084 HG3 :: 0.923 HD2 :: 1.512 HD3 :: 2.895(S) HE2 :: 3.255 HE3 :: 3.110 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 :: 123.980 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.19 Y 0.18 F 0.14 L 0.05 E 0.04 I 0.02 M 0.01 HN Overlap>> T16 T57 C Shift Assignments>> C :: 174.620 CA :: 54.732 CB :: 38.647 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 :: 8.711 HA :: 5.301 HB2 :: 3.482 HB3 :: 2.511 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 :: 116.520 Ave N Shift Values>> N :: 120.79(4.69) R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 R 0.43 K 0.05 HN Overlap>> W79 C Shift Assignments>> C :: 177.546 CA :: 52.128 CB :: 32.190 CG :: 26.984 CD :: 43.872 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 :: 7.696 HA :: 4.236 HB2 :: 2.529 HB3 :: 2.151 HG2 :: 1.659 HG3 :: 2.151 HD2 :: 3.715 HD3 :: 3.288 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 :: 120.260 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 M 0.34 Q 0.14 K 0.05 I 0.03 C Shift Assignments>> C :: 176.443 CA :: 58.149 CB :: 31.737 CG :: 35.178 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 :: 9.720 HA :: 4.684 HB2 :: 2.400 HB3 :: 1.648 HG2 :: 2.620 HG3 :: 2.037 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 :: 128.950 Ave N Shift Values>> N :: 120.68(3.68) I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 M 0.01 HN Overlap>> L153 C Shift Assignments>> C :: 177.712 CA :: 60.424 CB :: 37.896 CG1 :: 28.966 CG2 :: 17.159 CD1 :: 12.810 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 :: 8.926 HA :: 5.263 HB :: 2.204 HG2 :: 0.589 HG12 :: 1.932 HG13 :: 1.312 HD1 :: 1.006 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 :: 117.197 Ave N Shift Values>> N :: 121.6(4.72) L77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.4 V 0.03 HN Overlap>> V8 C Shift Assignments>> C :: 175.403 CA :: 56.172 CB :: 40.588 CG :: 32.467(S) CD1 :: 24.963 CD2 :: 24.963 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 :: 8.072 HA :: 4.835 HB2 :: 1.728 HB3 :: 2.047 HG :: 1.433 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 :: 115.848 Ave N Shift Values>> N :: 121.98(4.07) H78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.19 E 0.16 R 0.14 H 0.12 Q 0.11 K 0.09 I 0.07 M 0.04 V 0.04 HN Overlap>> V19 E126 C Shift Assignments>> C :: 174.079 CA :: 58.830 CB :: 30.061 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 :: 8.682 HA :: 4.041 HB2 :: 3.658 HB3 :: 3.649 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 127.398 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) W79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.62 H 0.33 Y 0.03 F 0.01 HN Overlap>> R74 C Shift Assignments>> C :: 174.065 CA :: 54.925 CB :: 34.722 CD1 :: 124.755 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 :: 7.784 HA :: 5.084 HB2 :: 3.442 HB3 :: 3.442 HD1 :: 8.346(S) HE1 :: 10.610 HE3 :: 8.347 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 :: 120.257 NE1 :: 131.048 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.626 CA :: 57.079 CB :: 64.006 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.875 HA :: 5.266 HB2 :: 3.663 HB3 :: 3.441 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 :: 122.080 Ave N Shift Values>> N :: 116.3(3.95) V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 I 0.03 C Shift Assignments>> C :: 174.378 CA :: 61.552 CB :: 34.823 CG1 :: 20.131 CG2 :: 22.406 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 :: 9.348 HA :: 4.910 HB :: 1.851 HG1 :: 0.676 HG2 :: 0.971 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 :: 130.750 Ave N Shift Values>> N :: 121.02(4.96) V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 A 0.35 V 0.15 C Shift Assignments>> C :: 175.972 CA :: 58.136 CB :: 36.432 CG1 :: 17.733 CG2 :: 21.781 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 :: 9.144 HA :: 5.572 HB :: 2.188 HG1 :: 0.977 HG2 :: 1.150 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 :: 116.350 Ave N Shift Values>> N :: 121.02(4.96) N83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.6 E 0.16 Q 0.14 D 0.08 C Shift Assignments>> C :: 174.731 CA :: 54.056 CB :: 35.893 CG :: 178.075 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 :: 9.074 HA :: 4.103 HB2 :: 3.622 HB3 :: 3.205 HD21 :: 9.017(S) HD22 :: 8.374 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.540 ND2 :: 117.471 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.978 CA :: 60.307 CB :: 39.547 CG1 :: 29.587 CG2 :: 16.538 CD1 :: 14.052 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 :: 9.215 HA :: 3.818 HB :: 1.962 HG2 :: 1.393 HG12 :: 1.622 HG13 :: 0.954 HD1 :: 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 :: 122.230 Ave N Shift Values>> N :: 121.6(4.72) P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.96 I 0.01 R 0.01 C Shift Assignments>> C :: 178.739 CA :: 64.950 CB :: 32.149 CG :: 28.080 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 :: 4.370 HB2 :: 1.949 HB3 :: 2.510 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) G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.051 CA :: 46.834 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.215 HA2 :: 4.077 HA3 :: 3.705 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.450 Ave N Shift Values>> N :: 109.91(4.29) S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.756 CA :: 58.395 CB :: 63.374 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.153 HA :: 4.376 HB2 :: 4.177 HB3 :: 4.046 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 :: 112.510 Ave N Shift Values>> N :: 116.3(3.95) N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.73 D 0.26 C Shift Assignments>> C :: 175.496 CA :: 52.815 CB :: 38.509 CG :: 176.749 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 :: 8.405 HA :: 4.887 HB2 :: 3.595 HB3 :: 3.188 HD21 :: 7.283 HD22 :: 7.068 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 :: 124.000 ND2 :: 111.378 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 M 0.25 K 0.09 Q 0.07 I 0.03 C Shift Assignments>> C :: 171.421 CA :: 55.524 CB :: 30.763 CG :: 36.140 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 :: 3.929 HB2 :: 2.009 HB3 :: 1.731 HG2 :: 2.224 HG3 :: 2.098 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 :: 117.150 Ave N Shift Values>> N :: 120.68(3.68) N90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.63 D 0.36 C Shift Assignments>> C :: 173.133 CA :: 50.926 CB :: 39.631 CG :: 177.340 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 :: 7.139 HA :: 3.001(S) HB2 :: 2.973 HB3 :: 2.541 HD21 :: 7.742 HD22 :: 6.996 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.520 ND2 :: 116.555 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.276 CA :: 64.381 CB :: 30.711 CG :: 27.282 CD :: 50.715 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 :: 4.817 HB2 :: 2.357 HB3 :: 2.092 HG2 :: 2.161 HG3 :: 1.879 HD2 :: 3.211 HD3 :: 3.739 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) S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.953 CA :: 60.253 CB :: 63.628 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.241 HA :: 4.347 HB2 :: 3.914 HB3 :: 3.914 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 :: 118.550 Ave N Shift Values>> N :: 116.3(3.95) G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.03 C Shift Assignments>> C :: 175.421 CA :: 45.428 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.763 HA2 :: 3.913 HA3 :: 4.232 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.300 Ave N Shift Values>> N :: 109.91(4.29) G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.21 R 0.16 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.370 CA :: 44.579 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.964 HA2 :: 4.486 HA3 :: 3.466 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.031 Ave N Shift Values>> N :: 109.91(4.29) H95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.79 W 0.13 Y 0.07 C Shift Assignments>> C :: 174.462 CA :: 55.309 CB :: 33.070 CD2 :: 116.583 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 :: 9.550 HA :: 4.937 HB2 :: 3.189 HB3 :: 2.854 HD2 :: 6.494 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 :: 120.509 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.782 CA :: 56.498 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>> H :: 8.590 HA :: 4.946 HB2 :: 3.831 HB3 :: 3.831 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 :: 122.470 Ave N Shift Values>> N :: 116.3(3.95) L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.1 K 0.03 A 0.01 C Shift Assignments>> C :: 180.082 CA :: 56.498 CB :: 40.908 CG :: 27.102 CD1 :: 27.071 CD2 :: 23.683 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 :: 8.413 HA :: 4.496 HB2 :: 1.935 HB3 :: 1.478 HG :: 1.818 HD1 :: 1.174 HD2 :: 1.174 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 :: 129.510 Ave N Shift Values>> N :: 121.98(4.07) A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.16 L 0.01 C Shift Assignments>> C :: 175.210 CA :: 52.052 CB :: 19.678 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.300 HA :: 4.868 HB :: 1.088 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.230 Ave N Shift Values>> N :: 123.23(3.7) D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.23 K 0.17 F 0.09 Y 0.07 N 0.07 R 0.05 C Shift Assignments>> C :: 175.946 CA :: 54.621 CB :: 41.414 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 :: 8.582 HA :: 4.771 HB2 :: 2.840 HB3 :: 2.478 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 :: 124.370 Ave N Shift Values>> N :: 120.73(4.2) Y100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> D146 C Shift Assignments>> C :: 175.091 CA :: 60.812 CB :: 38.155 CE1 :: 118.352 CE2 :: 118.352 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 :: 8.635 HA :: 4.154 HB2 :: 2.369 HB3 :: 1.221(S) HD1 :: 6.743 HD2 :: 6.743 HE1 :: 6.795 HE2 :: 6.795 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 :: 122.120 Ave N Shift Values>> N :: 120.79(4.69) V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 I 0.05 C Shift Assignments>> C :: 175.579 CA :: 60.637 CB :: 35.796 CG1 :: 22.131 CG2 :: 20.267 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 :: 7.572 HA :: 4.094 HB :: 1.725 HG1 :: 0.921 HG2 :: 0.921 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 :: 126.930 Ave N Shift Values>> N :: 121.02(4.96) G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 R 0.04 C Shift Assignments>> C :: 176.178 CA :: 45.276 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.092 HA2 :: 2.759 HA3 :: 2.759 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.775 Ave N Shift Values>> N :: 109.91(4.29) S103 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 177.768 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.466 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 :: 120.071 Ave N Shift Values>> N :: 116.3(3.95) G104 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Suspicious H Shift Assignments>> H :: 9.610 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 131.098(S) Ave N Shift Values>> N :: 109.91(4.29) P105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.901 CA :: 62.287 CB :: 32.084 CG :: 28.232 CD :: 51.334 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 :: 4.615 HB2 :: 2.548 HB3 :: 2.136 HG2 :: 2.340 HG3 :: 2.340 HD2 :: 4.576 HD3 :: 4.025 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) K107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.6 R 0.32 M 0.04 G 0.02 C Shift Assignments>> C :: 176.118 CA :: 58.581 CB :: 32.145 CG :: 24.764 CD :: 29.397 CE :: 42.283 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 :: 8.827 HA :: 3.322 HB2 :: 1.227 HB3 :: 0.460(S) HG2 :: 1.127 HG3 :: 0.741 HD2 :: 1.340 HD3 :: 1.340 HE2 :: 2.907 HE3 :: 2.907 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 :: 128.345 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.28 D 0.1 I 0.08 N 0.07 E 0.05 L 0.05 C Shift Assignments>> C :: 175.590 CA :: 56.879 CB :: 38.909 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 :: 9.100 HA :: 4.593 HB2 :: 3.066 HB3 :: 2.988 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 :: 118.570 Ave N Shift Values>> N :: 120.73(4.2) T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.450 CA :: 61.910 CB :: 71.149 CG2 :: 21.800 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 :: 7.595 HA :: 4.727 HB :: 5.274 HG2 :: 1.327 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 :: 104.880 Ave N Shift Values>> N :: 115.7(5.05) G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.14 R 0.08 F 0.01 C Shift Assignments>> C :: 173.760 CA :: 44.965 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.688 HA2 :: 4.054 HA3 :: 4.303 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.940 Ave N Shift Values>> N :: 109.91(4.29) L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 R 0.18 G 0.08 A 0.01 C Shift Assignments>> C :: 179.215 CA :: 55.728 CB :: 43.113 CG :: 27.102 CD1 :: 25.611 CD2 :: 23.407 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 :: 8.736 HA :: 4.431 HB2 :: 1.865 HB3 :: 1.340 HG :: 1.674 HD1 :: 0.951 HD2 :: 0.819 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 :: 119.195 Ave N Shift Values>> N :: 121.98(4.07) H112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.86 W 0.13 HN Overlap>> Y119 C Shift Assignments>> C :: 173.920 CA :: 53.049 CB :: 30.506 CD2 :: 117.439 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 :: 9.638 HA :: 5.187 HB2 :: 3.395 HB3 :: 3.206 HD2 :: 7.470 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 :: 124.150 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 R 0.33 Q 0.17 M 0.04 C Shift Assignments>> C :: 172.603 CA :: 56.010 CB :: 32.535 CG :: 26.099 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 :: 9.172 HA :: 4.579 HB2 :: 1.399 HB3 :: 1.399 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 :: 122.650 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.35 F 0.29 I 0.13 E 0.07 D 0.05 L 0.03 N 0.03 M 0.01 C Shift Assignments>> C :: 174.793 CA :: 57.705 CB :: 38.657 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 :: 8.586 HA :: 4.573 HB2 :: 2.012 HB3 :: 0.987(S) 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 :: 116.868 Ave N Shift Values>> N :: 120.79(4.69) I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 G 0.07 C Shift Assignments>> C :: 174.764 CA :: 60.289 CB :: 42.010 CG1 :: 27.863 CG2 :: 17.764 CD1 :: 17.160 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 :: 8.718 HA :: 4.770 HB :: 1.688 HG2 :: 0.975 HG12 :: 0.823 HG13 :: 0.823 HD1 :: 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 :: 121.360 Ave N Shift Values>> N :: 121.6(4.72) F116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.96 G 0.03 C Shift Assignments>> C :: 174.832 CA :: 56.873 CB :: 42.088 CD1 :: 131.581 CD2 :: 131.581 CE1 :: 131.678 CE2 :: 131.678 CZ :: 131.465 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 :: 9.688 HA :: 5.576 HB2 :: 3.060 HB3 :: 2.943 HD1 :: 7.451 HD2 :: 7.451 HE1 :: 7.957 HE2 :: 7.957 HZ :: 8.397 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 :: 125.728 Ave N Shift Values>> N :: 120.69(4.18) L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 G 0.49 A 0.01 C Shift Assignments>> C :: 173.550 CA :: 53.915 CB :: 48.256 CG :: 26.480 CD1 :: 25.620 CD2 :: 25.620 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 :: 9.374 HA :: 4.965 HB2 :: 1.939 HB3 :: 1.322 HG :: 1.638 HD1 :: 1.021 HD2 :: 0.995 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 :: 121.030 Ave N Shift Values>> N :: 121.98(4.07) L118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.68 G 0.26 L 0.04 C Shift Assignments>> C :: 174.251 CA :: 52.873 CB :: 47.081 CG :: 26.076 CD1 :: 25.859 CD2 :: 20.888 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 :: 7.677 HA :: 5.422 HB2 :: 1.449 HB3 :: 0.776 HG :: 0.796 HD1 :: -0.149(S) HD2 :: -0.279(S) 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 :: 122.910 Ave N Shift Values>> N :: 121.98(4.07) Y119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 F 0.23 G 0.06 HN Overlap>> H112 C Shift Assignments>> C :: 176.736 CA :: 57.148 CB :: 42.516 CD1 :: 133.536 CD2 :: 133.536 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 :: 9.686 HA :: 4.771 HB2 :: 3.253 HB3 :: 2.562 HD1 :: 6.868 HD2 :: 6.868 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 :: 124.205 Ave N Shift Values>> N :: 120.79(4.69) R120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 G 0.22 K 0.18 C Shift Assignments>> C :: 175.081 CA :: 57.957 CB :: 31.285 CG :: 29.015 CD :: 43.854 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 :: 9.320 HA :: 4.430 HB2 :: 1.826 HB3 :: 1.826 HG2 :: 1.800 HG3 :: 1.800 HD2 :: 3.352 HD3 :: 3.120 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 :: 120.258 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 Q 0.17 K 0.14 R 0.03 E 0.02 C Shift Assignments>> C :: 173.774 CA :: 54.166 CB :: 31.291 CG :: 32.171 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 :: 7.932 HA :: 4.587 HB2 :: 1.733 HB3 :: 1.544 HG2 :: 2.337 HG3 :: 2.044 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.390 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 M 0.31 Q 0.12 K 0.06 I 0.03 C Shift Assignments>> C :: 176.618 CA :: 57.444 CB :: 31.461 CG :: 35.542 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 :: 8.777 HA :: 4.928 HB2 :: 2.070 HB3 :: 2.070 HG2 :: 2.298 HG3 :: 2.386 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 :: 126.230 Ave N Shift Values>> N :: 120.68(3.68) N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.49 N 0.49 G 0.01 C Shift Assignments>> C :: 175.095 CA :: 51.596 CB :: 41.505 CG :: 176.302 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 :: 8.201 HA :: 5.080 HB2 :: 2.796 HB3 :: 2.796 HD21 :: 7.814 HD22 :: 7.144 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 :: 115.760 ND2 :: 115.281 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 R 0.43 M 0.02 G 0.01 C Shift Assignments>> C :: 175.850 CA :: 58.087 CB :: 33.456 CG :: 25.792 CD :: 29.702 CE :: 42.291 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 :: 8.923 HA :: 3.620 HB2 :: 1.752 HB3 :: 1.652 HG2 :: 1.348 HG3 :: 1.229 HD2 :: 1.625 HD3 :: 1.625 HE2 :: 2.898 HE3 :: 2.898 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 :: 123.960 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.118 CA :: 60.915 CB :: 40.614 CG1 :: 29.517 CG2 :: 16.636 CD1 :: 13.376 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 :: 9.255 HA :: 4.048 HB :: 1.361 HG2 :: 0.817 HG12 :: 1.733 HG13 :: 0.664 HD1 :: 0.548 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 :: 130.160 Ave N Shift Values>> N :: 121.6(4.72) E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 K 0.16 Q 0.11 I 0.1 M 0.1 HN Overlap>> V19 H78 C Shift Assignments>> C :: 176.452 CA :: 57.730 CB :: 29.871 CG :: 35.927 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 :: 8.685 HA :: 3.869 HB2 :: 2.061 HB3 :: 1.971 HG2 :: 2.292 HG3 :: 2.211 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 :: 127.295 Ave N Shift Values>> N :: 120.68(3.68) E127 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.4 I 0.23 K 0.21 L 0.06 Q 0.04 M 0.03 R 0.01 C Shift Assignments>> C :: 176.117 CA :: 55.241 CB :: 26.529 CG :: 36.760 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 :: 8.586 HA :: 3.694 HB2 :: 0.373(S) HB3 :: 1.642 HG2 :: 1.517(S) HG3 :: 2.218 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 :: 126.500 Ave N Shift Values>> N :: 120.68(3.68) T128 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> Q37 C Shift Assignments>> C :: 172.066 CA :: 60.911 CB :: 68.355 CG2 :: 21.509 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 :: 7.692 HA :: 4.496 HB :: 2.340(S) HG2 :: 0.987 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 :: 119.475 Ave N Shift Values>> N :: 115.7(5.05) P129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.751 CA :: 64.335 CB :: 31.867 CG :: 28.092 CD :: 50.715 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 :: 4.532 HB2 :: 2.436 HB3 :: 1.964 HG2 :: 2.247 HG3 :: 2.099 HD2 :: 3.975 HD3 :: 3.716 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) T130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.115 CA :: 64.325 CB :: 70.997 CG2 :: 22.304 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 :: 8.464 HA :: 3.718 HB :: 3.718 HG2 :: 0.958 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 :: 123.835 Ave N Shift Values>> N :: 115.7(5.05) I131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.295 CA :: 62.611 CB :: 38.596 CG1 :: 27.476 CG2 :: 18.443 CD1 :: 13.446 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 :: 8.147 HA :: 4.192 HB :: 1.747 HG2 :: 1.093 HG12 :: 2.088 HG13 :: 1.201 HD1 :: 0.949 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 :: 128.061 Ave N Shift Values>> N :: 121.6(4.72) S132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.786 CA :: 58.318 CB :: 64.822 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.119 HA :: 4.610 HB2 :: 4.423 HB3 :: 4.142 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 :: 126.340 Ave N Shift Values>> N :: 116.3(3.95) N133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 E 0.16 Y 0.14 F 0.07 M 0.07 D 0.06 K 0.02 I 0.01 C Shift Assignments>> C :: 175.497 CA :: 54.147 CB :: 37.087 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 :: 10.180 HA :: 4.122 HB2 :: 2.700 HB3 :: 3.325 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 :: 122.140 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.683 CA :: 60.890 CB :: 69.143 CG2 :: 21.671 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 :: 7.832 HA :: 4.532 HB :: 5.053 HG2 :: 1.274 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 :: 107.890 Ave N Shift Values>> N :: 115.7(5.05) T135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.774 CA :: 62.367 CB :: 70.371 CG2 :: 22.095 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 :: 7.640 HA :: 4.528 HB :: 4.290 HG2 :: 1.474 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 :: 119.225 Ave N Shift Values>> N :: 115.7(5.05) R136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 K 0.24 G 0.15 C Shift Assignments>> C :: 175.579 CA :: 57.177 CB :: 31.984 CG :: 28.046 CD :: 43.671 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 :: 9.382 HA :: 4.111 HB2 :: 1.777 HB3 :: 1.485 HG2 :: 1.485 HG3 :: 1.485 HD2 :: 3.164 HD3 :: 3.110 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 :: 129.270 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.623 CA :: 65.749 CB :: 68.609 CG2 :: 21.935 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 :: 7.867 HA :: 3.838 HB :: 3.984 HG2 :: 1.340 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 :: 117.110 Ave N Shift Values>> N :: 115.7(5.05) G138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 176.045 CA :: 44.822 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.179 HA2 :: 4.513 HA3 :: 3.844 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.166 Ave N Shift Values>> N :: 109.91(4.29) R139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 G 0.27 K 0.05 L 0.01 C Shift Assignments>> C :: 175.716 CA :: 56.606 CB :: 30.515 CD :: 44.046 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 :: 8.472 HA :: 4.501 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 :: 117.000 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 R 0.26 G 0.02 A 0.01 C Shift Assignments>> C :: 177.728 CA :: 55.780 CB :: 42.135 CG :: 28.665 CD1 :: 24.673 CD2 :: 23.605 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 :: 7.721 HA :: 4.485 HB2 :: 1.867 HB3 :: 1.596 HG :: 1.596 HD1 :: 0.651 HD2 :: 0.441 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.600 Ave N Shift Values>> N :: 121.98(4.07) N141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 D 0.27 N 0.24 Q 0.02 HN Overlap>> S47 C Shift Assignments>> C :: 175.293 CA :: 55.781 CB :: 37.130 CG :: 178.923 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 :: 8.084 HA :: 4.495 HB2 :: 3.070 HB3 :: 2.790 HD21 :: 7.431 HD22 :: 7.284 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 :: 115.560 ND2 :: 110.243 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.49 C Shift Assignments>> C :: 173.434 CA :: 58.661 CB :: 40.073 CD1 :: 132.070 CD2 :: 132.070 CZ :: 129.218 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 :: 10.013 HA :: 4.369 HB2 :: 3.246 HB3 :: 2.836 HD1 :: 7.469 HD2 :: 7.469 HZ :: 6.295 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 :: 121.230 Ave N Shift Values>> N :: 120.69(4.18) N143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.57 N 0.42 C Shift Assignments>> C :: 174.086 CA :: 53.252 CB :: 41.204 CG :: 176.817 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 :: 6.609 HA :: 4.740 HB2 :: 2.732 HB3 :: 2.569 HD21 :: 7.677 HD22 :: 6.854 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 :: 124.300 ND2 :: 112.800 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A144 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> A 0.59 M 0.39 C Shift Assignments>> C :: 179.348 CA :: 52.977 CB :: 17.043 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 10.976(S) HA :: 3.950 HB :: 1.684 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 135.524(S) Ave N Shift Values>> N :: 123.23(3.7) R145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 K 0.33 P 0.12 M 0.11 Q 0.01 HN Overlap>> Y166 C Shift Assignments>> C :: 180.613 CA :: 60.839 CB :: 30.580 CG :: 29.574 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 :: 8.631 HA :: 4.174 HB2 :: 2.175 HB3 :: 1.828 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 :: 118.490 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 K 0.15 L 0.14 D 0.12 I 0.04 R 0.02 N 0.02 HN Overlap>> Y100 C Shift Assignments>> C :: 178.496 CA :: 57.189 CB :: 40.673 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 :: 8.589 HA :: 4.424 HB2 :: 2.667 HB3 :: 2.667 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 :: 122.220 Ave N Shift Values>> N :: 120.73(4.2) F147 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.85 F 0.14 C Shift Assignments>> C :: 177.489 CA :: 62.188 CB :: 40.474 CD1 :: 134.140(M) CD2 :: 134.140 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 :: 8.809 HA :: 4.101 HB2 :: 3.174 HB3 :: 2.988 HD1 :: 7.350 HD2 :: 7.350 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 :: 124.470 Ave N Shift Values>> N :: 120.69(4.18) A148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.42 I 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 180.421 CA :: 55.078 CB :: 19.090 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.031 HA :: 3.759 HB :: 1.631 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.110 Ave N Shift Values>> N :: 123.23(3.7) A149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.42 I 0.03 C Shift Assignments>> C :: 181.172 CA :: 54.857 CB :: 18.174 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.109 HA :: 4.222 HB :: 1.591 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.288 Ave N Shift Values>> N :: 123.23(3.7) K150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.3 M 0.04 G 0.01 C Shift Assignments>> C :: 178.171 CA :: 58.826 CB :: 32.253 CG :: 24.394 CD :: 29.171 CE :: 42.003 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 :: 8.354 HA :: 3.879 HB2 :: 1.695 HB3 :: 1.419 HG2 :: 1.053 HG3 :: 0.718 HD2 :: 1.502 HD3 :: 1.419 HE2 :: 2.892 HE3 :: 2.892 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 :: 119.900 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H151 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.52 W 0.47 C Shift Assignments>> C :: 174.747 CA :: 55.933 CB :: 30.269 CD2 :: 120.887 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 :: 7.285 HA :: 4.720 HB2 :: 3.223 HB3 :: 2.285 HD2 :: 7.231 HE1 :: 5.464(S) 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 :: 113.010 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) G152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 P 0.04 L 0.03 A 0.03 N 0.01 C Shift Assignments>> C :: 176.435 CA :: 47.474 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.686 HA2 :: 4.153 HA3 :: 4.031 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.260 Ave N Shift Values>> N :: 109.91(4.29) L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 A 0.12 R 0.03 HN Overlap>> I76 C Shift Assignments>> C :: 176.358 CA :: 55.037 CB :: 41.446 CG :: 26.977 CD1 :: 24.632 CD2 :: 22.172 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 :: 8.946 HA :: 4.435 HB2 :: 1.803 HB3 :: 1.510 HG :: 1.509 HD1 :: 0.470 HD2 :: 0.882 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 :: 117.261 Ave N Shift Values>> N :: 121.98(4.07) G154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.02 C Shift Assignments>> C :: 174.204 CA :: 45.680 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.160 HA2 :: 3.764 HA3 :: 4.107 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.900 Ave N Shift Values>> N :: 109.91(4.29) E155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 K 0.19 M 0.1 Q 0.07 I 0.03 C Shift Assignments>> C :: 174.957 CA :: 53.552 CB :: 29.349 CG :: 36.423 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 :: 8.402 HA :: 4.816 HB2 :: 2.199 HB3 :: 1.855 HG2 :: 2.459 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 :: 121.165 Ave N Shift Values>> N :: 120.68(3.68) P156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.605 CA :: 63.794 CB :: 30.764 CG :: 27.780 CD :: 49.472 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 :: 3.993 HB2 :: 1.546 HB3 :: 1.081 HG2 :: 1.985 HG3 :: 1.897 HD2 :: 3.984 HD3 :: 3.984 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) I157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.436 CA :: 60.995 CB :: 39.086 CG1 :: 25.893 CG2 :: 19.163 CD1 :: 14.610 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 :: 8.706 HA :: 4.409 HB :: 2.080 HG2 :: 1.013 HG12 :: 1.062 HG13 :: 0.763 HD1 :: 0.763 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 :: 112.220 Ave N Shift Values>> N :: 121.6(4.72) A158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 A 0.13 K 0.11 M 0.09 P 0.03 R 0.01 C Shift Assignments>> C :: 173.992 CA :: 51.140 CB :: 23.510 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.631 HA :: 4.576 HB :: 1.064 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.675 Ave N Shift Values>> N :: 123.23(3.7) A159 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.59 K 0.12 A 0.1 M 0.08 P 0.03 R 0.02 C Shift Assignments>> C :: 176.719 CA :: 51.218 CB :: 23.658 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.786 HA :: 5.695(S) HB :: 1.462 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.043 Ave N Shift Values>> N :: 123.23(3.7) N160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.45 C Shift Assignments>> C :: 173.301 CA :: 52.511 CB :: 40.905 CG :: 176.122 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 :: 8.968 HA :: 5.392 HB2 :: 3.640 HB3 :: 2.594 HD21 :: 8.628 HD22 :: 6.864 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 :: 113.690 ND2 :: 110.757 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.82 G 0.17 C Shift Assignments>> C :: 171.795 CA :: 57.379 CB :: 42.913 CD1 :: 133.000 CD2 :: 133.000 CE1 :: 120.704 CE2 :: 120.704 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 :: 9.834 HA :: 6.124 HB2 :: 3.379 HB3 :: 3.071 HD1 :: 7.011 HD2 :: 7.011 HE1 :: 6.769 HE2 :: 6.769 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 :: 120.975 Ave N Shift Values>> N :: 120.79(4.69) Y162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.22 K 0.17 F 0.12 Y 0.1 N 0.06 R 0.04 HN Overlap>> Q29 C Shift Assignments>> C :: 172.945 CA :: 55.300 CB :: 41.181 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 :: 8.762 HA :: 5.054 HB2 :: 3.121 HB3 :: 3.707 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 :: 116.731 Ave N Shift Values>> N :: 120.79(4.69) Q163 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.71 D 0.24 E 0.03 C Shift Assignments>> C :: 174.641 CA :: 54.344 CB :: 35.253 CG :: 36.320 CD :: 178.689 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 :: 9.085 HA :: 6.165(S) HB2 :: 2.253 HB3 :: 1.815 HG2 :: 2.339 HG3 :: 2.085 HE21 :: 7.906 HE22 :: 6.899 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 :: 117.475 NE2 :: 110.637 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 K 0.15 M 0.09 A 0.07 R 0.02 C Shift Assignments>> C :: 175.406 CA :: 52.508 CB :: 23.491 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.296 HA :: 5.453 HB :: 1.470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.080 Ave N Shift Values>> N :: 123.23(3.7) Q165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.86 Q 0.12 C Shift Assignments>> C :: 173.116 CA :: 52.943 CB :: 33.506 CG :: 31.498 CD :: 180.655 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 :: 9.475 HA :: 5.157 HB2 :: 2.329 HB3 :: 1.693 HG2 :: 2.375 HG3 :: 2.375 HE21 :: 8.586 HE22 :: 6.915 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 :: 119.620 NE2 :: 115.473 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Y166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> R145 C Shift Assignments>> C :: 176.432 CA :: 61.387 CB :: 39.332 CE1 :: 118.285 CE2 :: 118.285 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 :: 8.632 HA :: 3.942 HB2 :: 2.922 HB3 :: 3.151 HE1 :: 6.817 HE2 :: 6.817 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 :: 118.471 Ave N Shift Values>> N :: 120.79(4.69) D167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.29 R 0.11 K 0.11 N 0.07 F 0.04 Y 0.03 G 0.02 C Shift Assignments>> C :: 175.000 CA :: 52.894 CB :: 42.319 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 :: 6.634 HA :: 4.301 HB2 :: 3.038 HB3 :: 3.256 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 :: 124.956 Ave N Shift Values>> N :: 120.73(4.2) D168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.2 D 0.19 L 0.15 K 0.1 N 0.05 I 0.03 R 0.01 HN Overlap>> S53 C Shift Assignments>> C :: 176.744 CA :: 56.357 CB :: 40.426 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 :: 7.917 HA :: 4.251 HB2 :: 2.676 HB3 :: 2.856 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 :: 112.104 Ave N Shift Values>> N :: 120.73(4.2) Y169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.31 I 0.28 L 0.02 E 0.01 D 0.01 K 0.01 C Shift Assignments>> C :: 177.029 CA :: 59.722 CB :: 39.478 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 :: 8.579 HA :: 4.426 HB2 :: 3.004 HB3 :: 3.278 HE1 :: 6.810 HE2 :: 6.810 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 :: 121.821 Ave N Shift Values>> N :: 120.79(4.69) V170 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.649 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.027 Ave N Shift Values>> N :: 121.02(4.96) P171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.192 CA :: 65.658 CB :: 31.524 CG :: 29.150 CD :: 50.094 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 :: 4.396 HB2 :: 2.431 HB3 :: 1.836 HG2 :: 2.163 HG3 :: 2.163 HD2 :: 3.722 HD3 :: 3.722 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) I172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.923 CA :: 64.075 CB :: 36.422 CG1 :: 28.457 CG2 :: 17.159 CD1 :: 12.188 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 :: 6.827 HA :: 3.613 HB :: 1.843 HG2 :: 0.901 HG12 :: 1.620 HG13 :: 1.222 HD1 :: 0.957 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 :: 118.501 Ave N Shift Values>> N :: 121.6(4.72) R173 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 180.158 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 :: 7.716 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 :: 121.107 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.86 D 0.13 HN Overlap>> L55 C Shift Assignments>> C :: 177.448 CA :: 55.304 CB :: 37.359 CG :: 175.436 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 :: 8.312 HA :: 4.464 HB2 :: 2.810 HB3 :: 2.963 HD21 :: 7.564 HD22 :: 7.311 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 :: 117.139 ND2 :: 111.367 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.32 M 0.05 G 0.01 C Shift Assignments>> C :: 177.644 CA :: 58.647 CB :: 32.793 CG :: 25.106 CD :: 29.996 CE :: 42.015 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 :: 7.490 HA :: 4.221 HB2 :: 2.010 HB3 :: 2.010 HG2 :: 1.768 HG3 :: 1.622 HD2 :: 1.768 HD3 :: 1.768 HE2 :: 3.039 HE3 :: 3.039 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 :: 119.155 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.251 CA :: 61.998 CB :: 70.112 CG2 :: 22.021 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 :: 7.530 HA :: 4.420 HB :: 4.492 HG2 :: 1.326 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 :: 106.555 Ave N Shift Values>> N :: 115.7(5.05) I177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 M 0.04 A 0.03 V 0.01 C Shift Assignments>> C :: 175.861 CA :: 61.136 CB :: 37.183 CG1 :: 27.241 CG2 :: 12.896 CD1 :: 18.108 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 :: 7.192 HA :: 4.246 HB :: 1.886 HG2 :: 0.754 HG12 :: 1.725 HG13 :: 1.725 HD1 :: 0.754 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 :: 122.511 Ave N Shift Values>> N :: 121.6(4.72) V178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 175.830 CA :: 61.352 CB :: 33.822 CG1 :: 19.020 CG2 :: 21.391 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 :: 8.305 HA :: 4.515 HB :: 2.343 HG1 :: 0.991 HG2 :: 0.988 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 :: 122.790 Ave N Shift Values>> N :: 121.02(4.96) G179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 179.564 CA :: 46.182 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.428 HA2 :: 4.368 HA3 :: 3.967 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.841 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 153 #Clerical: 0 #Suspicious: 22 #Anomalous: 3 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 173 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 178 #Suspicious: 1 C Shift Results: #Consistent: 738 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 1 H Shift Results: #Consistent: 936 #Duplicate: 0 #Unknown: 0 #Suspicious: 22 #Anomalous: 2 N Shift Results: #Consistent: 180 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: G30 HA2 = 2.555(S), Expected = 3.95, Std = 0.4000, ChiSquare = 4.8756e-04 P35 Typing: Mistyped P35 CA = 54.539(S), Expected = 63.30, Std = 1.6400, ChiSquare = 9.1890e-08 P35 CB = 41.187(S), Expected = 31.81, Std = 1.5400, ChiSquare = 1.1365e-09 P35 CG = 19.368(S), Expected = 27.14, Std = 1.1800, ChiSquare = 4.5050e-11 V38 HG1 = -0.755(S), Expected = 0.84, Std = 0.2700, ChiSquare = 3.4753e-09 Q41 HA = 1.968(M), Expected = 4.28, Std = 0.4400, ChiSquare = 1.4839e-07 Q41 SRO Rule Break>> HA > HG2 : 1 Q41 SRO Rule Break>> HA > HG3 : 0.999546896239239 P42 HB3 = -0.237(M), Expected = 2.05, Std = 0.3900, ChiSquare = 4.5157e-09 E50 H = 10.464(S), Expected = 8.34, Std = 0.6100, ChiSquare = 4.9774e-04 M60 HA = 5.976(S), Expected = 4.39, Std = 0.4600, ChiSquare = 5.6512e-04 D62 HA = 6.078(S), Expected = 4.61, Std = 0.3100, ChiSquare = 2.1853e-06 A65 H = 5.830(S), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8151e-05 K72 HD3 = 2.895(S), Expected = 1.61, Std = 0.2500, ChiSquare = 2.7474e-07 L77 CG = 32.467(S), Expected = 26.77, Std = 1.2500, ChiSquare = 5.1741e-06 W79 HD1 = 8.346(S), Expected = 7.16, Std = 0.3400, ChiSquare = 4.8622e-04 N83 HD21 = 9.017(S), Expected = 7.27, Std = 0.5200, ChiSquare = 7.8051e-04 N90 HA = 3.001(S), Expected = 4.70, Std = 0.3900, ChiSquare = 1.3221e-05 Y100 HB3 = 1.221(S), Expected = 2.91, Std = 0.3700, ChiSquare = 4.9982e-06 G104 N = 131.098(S), Expected = 109.91, Std = 4.2900, ChiSquare = 7.8553e-07 K107 HB3 = 0.460(S), Expected = 1.78, Std = 0.2600, ChiSquare = 3.8360e-07 Y114 HB3 = 0.987(S), Expected = 2.91, Std = 0.3700, ChiSquare = 2.0221e-07 L118 HD1 = -0.149(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.6479e-04 L118 HD2 = -0.279(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.0668e-04 E127 HB2 = 0.373(S), Expected = 2.04, Std = 0.2200, ChiSquare = 3.5289e-14 E127 HG2 = 1.517(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.5925e-04 T128 HB = 2.340(S), Expected = 4.17, Std = 0.3700, ChiSquare = 7.5775e-07 A144 H = 10.976(S), Expected = 8.20, Std = 0.6000, ChiSquare = 3.7160e-06 A144 N = 135.524(S), Expected = 123.23, Std = 3.7000, ChiSquare = 8.9150e-04 F147 CD1 = 134.140(M), Expected = 131.38, Std = 1.3800, ChiSquare = 4.5500e-02 H151 HE1 = 5.464(S), Expected = 8.08, Std = 0.5700, ChiSquare = 4.4437e-06 A159 HA = 5.695(S), Expected = 4.26, Std = 0.4200, ChiSquare = 6.3393e-04 Q163 HA = 6.165(S), Expected = 4.28, Std = 0.4400, ChiSquare = 1.8349e-05