Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.54 A 0.44 C Shift Assignments>> C :: 170.121 CA :: 54.809 CB :: 32.863 CG :: 29.559 CE :: 16.946 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.189 HB2 :: 2.102 HB3 :: 2.231 HG2 :: 2.729 HG3 :: 2.679 HE1 :: 1.981 HE2 :: 1.981 HE3 :: 1.981 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 M 0.24 Q 0.22 K 0.15 I 0.01 HN Overlap>> 1.T55 1.T55 C Shift Assignments>> C :: 173.907 CA :: 55.959 CB :: 30.582 CG :: 35.099 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 :: 8.347 HA :: 4.999 HB2 :: 1.996 HB3 :: 2.046 HG2 :: 2.377 HG3 :: 2.141 HE21 :: 6.890 HE22 :: 7.809 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.504 NE2 :: 112.312 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 G 0.41 C Shift Assignments>> C :: 173.891 CA :: 57.281 CB :: 43.678 CD1 :: 133.788 CD2 :: 133.788 CE1 :: 117.773 CE2 :: 117.773 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 :: 9.085 HA :: 5.381 HB2 :: 2.765 HB3 :: 3.416 HD1 :: 7.162 HD2 :: 7.162 HE1 :: 6.923 HE2 :: 6.923 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 :: 124.510 Ave N Shift Values>> N :: 120.79(4.69) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.4 G 0.01 M 0.01 C Shift Assignments>> C :: 171.900 CA :: 55.155 CB :: 36.059 CG :: 25.548 CD :: 29.001 CE :: 41.818 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 :: 9.084 HA :: 5.246 HB2 :: 1.907 HB3 :: 2.028 HG2 :: 1.358 HG3 :: 1.476 HD2 :: 1.633 HD3 :: 1.649 HE2 :: 2.778 HE3 :: 2.860 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 :: 122.361 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L5 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.78 R 0.12 G 0.08 C Shift Assignments>> C :: 173.662 CA :: 52.783 CB :: 42.781 CG :: 27.173 CD1 :: 24.696 CD2 :: 26.016 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 :: 8.614 HA :: 4.969 HB2 :: -1.110(S) HB3 :: 0.766 HG :: 0.875 HD11 :: 0.542 HD12 :: 0.542 HD13 :: 0.542 HD21 :: 0.582 HD22 :: 0.582 HD23 :: 0.582 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 :: 126.503 Ave N Shift Values>> N :: 121.98(4.07) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.724 CA :: 60.270 CB :: 38.334 CG1 :: 27.365 CG2 :: 17.136 CD1 :: 12.720 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 :: 9.063 HA :: 4.352 HB :: 1.969 HG12 :: 1.103 HG13 :: 1.412 HG21 :: 0.801 HG22 :: 0.801 HG23 :: 0.801 HD11 :: 0.779 HD12 :: 0.779 HD13 :: 0.779 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.291 Ave N Shift Values>> N :: 121.6(4.72) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.18 G 0.03 C Shift Assignments>> C :: 173.811 CA :: 54.471 CB :: 42.366 CG :: 27.385 CD1 :: 25.746 CD2 :: 25.746 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 :: 8.685 HA :: 4.508 HB2 :: 1.447 HB3 :: 1.358 HG :: 1.289 HD11 :: 0.745 HD12 :: 0.745 HD13 :: 0.745 HD21 :: 0.745 HD22 :: 0.745 HD23 :: 0.745 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.714 Ave N Shift Values>> N :: 121.98(4.07) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 D 0.13 Y 0.04 F 0.03 L 0.01 C Shift Assignments>> C :: 174.400 CA :: 51.206 CB :: 38.161 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 :: 8.811 HA :: 5.246 HB2 :: 2.538 HB3 :: 2.947 HD21 :: 6.768 HD22 :: 7.102 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.445 ND2 :: 111.360 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.18 R 0.12 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.391 CA :: 44.739 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.923 HA2 :: 4.484 HA3 :: 4.048 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.908 Ave N Shift Values>> N :: 109.91(4.29) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.26 M 0.02 C Shift Assignments>> C :: 177.675 CA :: 59.094 CB :: 32.554 CG :: 25.121 CD :: 28.877 CE :: 41.786 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 :: 9.205 HA :: 4.067 HB2 :: 1.804 HB3 :: 1.823 HG2 :: 1.417 HG3 :: 1.445 HD2 :: 1.665 HD3 :: 1.660 HE2 :: 2.936 HE3 :: 2.949 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.184 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.885 CA :: 61.971 CB :: 69.630 CG2 :: 21.847 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 :: 8.787 HA :: 4.365 HB :: 4.232 HG21 :: 1.139 HG22 :: 1.139 HG23 :: 1.139 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 :: 108.963 Ave N Shift Values>> N :: 115.7(5.05) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 G 0.17 R 0.15 C Shift Assignments>> C :: 172.492 CA :: 55.133 CB :: 43.674 CG :: 27.344 CD1 :: 24.171 CD2 :: 25.331 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 :: 7.309 HA :: 4.449 HB2 :: 1.428 HB3 :: 1.541 HG :: 1.426 HD11 :: 0.879 HD12 :: 0.879 HD13 :: 0.879 HD21 :: 0.797 HD22 :: 0.797 HD23 :: 0.797 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.683 Ave N Shift Values>> N :: 121.98(4.07) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.33 G 0.03 M 0.02 C Shift Assignments>> C :: 175.349 CA :: 54.012 CB :: 34.789 CG :: 25.151 CD :: 29.141 CE :: 42.457 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 :: 8.085 HA :: 5.125 HB2 :: 1.736 HB3 :: 1.904 HG2 :: 1.461 HG3 :: 1.466 HD2 :: 1.685 HD3 :: 1.754 HE2 :: 2.937 HE3 :: 2.998 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 :: 123.832 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 R 0.03 C Shift Assignments>> C :: 170.370 CA :: 45.299 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.394 HA2 :: 4.293 HA3 :: 4.169 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.568 Ave N Shift Values>> N :: 109.91(4.29) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 E 0.3 Q 0.02 C Shift Assignments>> C :: 174.376 CA :: 54.637 CB :: 33.956 CG :: 36.195 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 :: 8.355 HA :: 5.614 HB2 :: 1.934 HB3 :: 2.021 HG2 :: 2.145 HG3 :: 2.145 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.750 Ave N Shift Values>> N :: 120.68(3.68) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.040 CA :: 60.661 CB :: 69.531 CG2 :: 19.167 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 :: 8.761 HA :: 4.738 HB :: 3.907 HG21 :: 0.435 HG22 :: 0.435 HG23 :: 0.435 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 :: 116.034 Ave N Shift Values>> N :: 115.7(5.05) 1.T17 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 :: 173.127 CA :: 59.871 CB :: 73.291 CG2 :: 21.466 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 :: 8.070 HA :: 5.825 HB :: 4.307 HG21 :: 1.198 HG22 :: 1.198 HG23 :: 1.198 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 :: 112.094 Ave N Shift Values>> N :: 115.7(5.05) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 169.762 CA :: 62.152 CB :: 70.314 CG2 :: 19.149 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 :: 8.975 HA :: 4.687 HB :: 3.859 HG21 :: 0.500 HG22 :: 0.500 HG23 :: 0.500 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.759 Ave N Shift Values>> N :: 115.7(5.05) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 M 0.25 Q 0.13 K 0.12 I 0.01 C Shift Assignments>> C :: 174.849 CA :: 54.413 CB :: 30.471 CG :: 35.806 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.928 HA :: 5.196 HB2 :: 1.953 HB3 :: 1.953 HG2 :: 2.060 HG3 :: 2.297 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 :: 126.084 Ave N Shift Values>> N :: 120.68(3.68) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 K 0.11 A 0.1 P 0.08 M 0.07 R 0.02 C Shift Assignments>> C :: 176.601 CA :: 50.821 CB :: 23.738 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 :: 4.937 HB1 :: 1.349 HB2 :: 1.349 HB3 :: 1.349 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.333 Ave N Shift Values>> N :: 123.23(3.7) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.069 CA :: 63.559 CB :: 32.141 CG1 :: 20.950 CG2 :: 20.115 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 :: 8.462 HA :: 4.130 HB :: 2.220 HG11 :: 1.008 HG12 :: 1.008 HG13 :: 1.008 HG21 :: 1.009 HG22 :: 1.009 HG23 :: 1.009 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 :: 115.865 Ave N Shift Values>> N :: 121.02(4.96) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.29 R 0.12 K 0.1 N 0.07 F 0.04 G 0.03 Y 0.03 HN Overlap>> 1.N37 1.N37 C Shift Assignments>> C :: 173.826 CA :: 52.524 CB :: 42.440 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 :: 7.340 HA :: 4.769 HB2 :: 2.988 HB3 :: 3.053 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 :: 115.289 Ave N Shift Values>> N :: 120.73(4.2) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.41 I 0.02 C Shift Assignments>> C :: 178.262 CA :: 54.580 CB :: 17.493 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.276 HA :: 3.337 HB1 :: 1.190 HB2 :: 1.190 HB3 :: 1.190 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.561 Ave N Shift Values>> N :: 123.23(3.7) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.42 I 0.03 C Shift Assignments>> C :: 179.874 CA :: 54.761 CB :: 17.894 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.015 HA :: 3.971 HB1 :: 1.307 HB2 :: 1.307 HB3 :: 1.307 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.637 Ave N Shift Values>> N :: 123.23(3.7) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.103 CA :: 66.909 CB :: 67.893 CG2 :: 21.058 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 :: 8.274 HA :: 3.710 HB :: 4.034 HG21 :: 1.232 HG22 :: 1.232 HG23 :: 1.232 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 :: 116.441 Ave N Shift Values>> N :: 115.7(5.05) 1.A26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.59 A 0.36 I 0.03 C Shift Assignments>> C :: 176.116 CA :: 54.910 CB :: 17.536 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.158 HA :: 3.092 HB1 :: 0.531(S) HB2 :: 0.531(S) HB3 :: 0.531(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.675 Ave N Shift Values>> N :: 123.23(3.7) 1.E27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.47 I 0.29 K 0.12 Q 0.06 M 0.03 C Shift Assignments>> C :: 176.320 CA :: 59.737 CB :: 29.418 CG :: 35.948 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 :: 8.305 HA :: 2.661(S) HB2 :: 1.850 HB3 :: 1.971 HG2 :: 1.623 HG3 :: 1.623 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 :: 116.704 Ave N Shift Values>> N :: 120.68(3.68) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.24 M 0.02 G 0.01 C Shift Assignments>> C :: 178.972 CA :: 59.744 CB :: 32.368 CG :: 25.084 CD :: 29.225 CE :: 41.840 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 :: 6.965 HA :: 3.736 HB2 :: 1.842 HB3 :: 1.842 HG2 :: 1.338 HG3 :: 1.549 HD2 :: 1.606 HD3 :: 1.606 HE2 :: 2.889 HE3 :: 2.889 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 :: 116.755 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.859 CA :: 66.018 CB :: 31.593 CG1 :: 20.347 CG2 :: 21.773 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 :: 7.340 HA :: 3.626 HB :: 1.757 HG11 :: 0.799 HG12 :: 0.799 HG13 :: 0.799 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 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 :: 120.600 Ave N Shift Values>> N :: 121.02(4.96) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 F 0.49 C Shift Assignments>> C :: 177.389 CA :: 56.624 CB :: 37.470 CE1 :: 130.538 CE2 :: 130.538 CZ :: 130.602 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 :: 8.514 HA :: 4.795 HB2 :: 2.861 HB3 :: 3.356 HE1 :: 7.087 HE2 :: 7.087 HZ :: 7.204 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 :: 120.676 Ave N Shift Values>> N :: 120.69(4.18) 1.K31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.73 R 0.24 M 0.01 C Shift Assignments>> C :: 178.569 CA :: 59.931 CB :: 31.663 CG :: 25.786 CD :: 28.797 CE :: 41.188 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 :: 9.093 HA :: 4.181 HB2 :: 1.568 HB3 :: 1.693 HG2 :: 0.503 HG3 :: 0.833 HD2 :: 1.066 HD3 :: 1.130 HE2 :: 1.694(S) HE3 :: 1.917(S) 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 :: 122.889 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Q 0.32 R 0.13 E 0.1 M 0.03 I 0.03 C Shift Assignments>> C :: 176.112 CA :: 58.799 CB :: 28.272 CG :: 33.503 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 :: 7.451 HA :: 4.063 HB2 :: 2.230 HB3 :: 2.269 HG2 :: 2.431 HG3 :: 2.468 HE21 :: 6.876 HE22 :: 7.906 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 :: 119.649 NE2 :: 114.972 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.R112 1.H156 1.R112 1.H156 C Shift Assignments>> C :: 178.002 CA :: 61.885 CB :: 38.687 CD1 :: 132.711 CD2 :: 132.711 CE1 :: 118.287 CE2 :: 118.287 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 :: 8.252 HA :: 4.277 HB2 :: 3.320 HB3 :: 3.320 HD1 :: 6.996 HD2 :: 6.996 HE1 :: 6.745 HE2 :: 6.745 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 :: 121.056 Ave N Shift Values>> N :: 120.79(4.69) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.19 I 0.1 V 0.01 C Shift Assignments>> C :: 178.370 CA :: 56.264 CB :: 17.935 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.184 HA :: 3.816 HB1 :: 1.855 HB2 :: 1.855 HB3 :: 1.855 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.627 Ave N Shift Values>> N :: 123.23(3.7) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.28 I 0.09 D 0.09 E 0.06 N 0.06 L 0.04 C Shift Assignments>> C :: 178.360 CA :: 57.067 CB :: 38.822 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 :: 8.273 HA :: 4.451 HB2 :: 2.982 HB3 :: 2.936 HD21 :: 6.973 HD22 :: 7.614 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 :: 117.715 ND2 :: 112.208 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 D 0.13 L 0.11 K 0.06 I 0.06 N 0.03 C Shift Assignments>> C :: 176.125 CA :: 57.125 CB :: 40.089 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 :: 8.924 HA :: 4.396 HB2 :: 2.575 HB3 :: 2.744 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 :: 121.545 Ave N Shift Values>> N :: 120.73(4.2) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.26 L 0.13 F 0.09 Y 0.09 K 0.04 HN Overlap>> 1.D22 1.D22 C Shift Assignments>> C :: 173.103 CA :: 53.709 CB :: 40.199 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 :: 7.391 HA :: 4.613 HB2 :: 2.696 HB3 :: 2.131 HD21 :: 6.648 HD22 :: 6.241 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 :: 115.296 ND2 :: 114.699 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 173.176 CA :: 46.837 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.818 HA2 :: 3.870 HA3 :: 3.926 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.219 Ave N Shift Values>> N :: 109.91(4.29) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E42 1.D127 1.E42 1.D127 C Shift Assignments>> C :: 172.716 CA :: 61.998 CB :: 33.164 CG1 :: 21.717 CG2 :: 21.573 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 :: 8.127 HA :: 4.162 HB :: 1.768 HG11 :: 0.834 HG12 :: 0.834 HG13 :: 0.834 HG21 :: 0.664 HG22 :: 0.664 HG23 :: 0.664 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 :: 120.818 Ave N Shift Values>> N :: 121.02(4.96) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.19 R 0.18 G 0.17 K 0.04 N 0.03 F 0.02 Y 0.02 C Shift Assignments>> C :: 173.703 CA :: 52.456 CB :: 43.334 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 :: 8.414 HA :: 4.891 HB2 :: 2.612 HB3 :: 2.697 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 :: 127.228 Ave N Shift Values>> N :: 120.73(4.2) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 170.813 CA :: 45.483 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.964 HA2 :: 4.178 HA3 :: 3.779 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.563 Ave N Shift Values>> N :: 109.91(4.29) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 M 0.36 Q 0.04 K 0.03 I 0.02 HN Overlap>> 1.D127 1.V39 1.D127 1.V39 C Shift Assignments>> C :: 175.863 CA :: 55.657 CB :: 31.671 CG :: 36.276 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 :: 8.029 HA :: 4.705 HB2 :: 1.939 HB3 :: 2.055 HG2 :: 2.236 HG3 :: 2.342 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.774 Ave N Shift Values>> N :: 120.68(3.68) 1.W43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.95 H 0.04 C Shift Assignments>> C :: 175.977 CA :: 57.756 CB :: 30.601 CD1 :: 127.122 CE3 :: 119.637 CZ2 :: 114.463 CZ3 :: 120.853 CH2 :: 123.223 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 :: 9.276 HA :: 5.377 HB2 :: 3.168 HB3 :: 3.378 HD1 :: 7.570 HE1 :: 10.488 HE3 :: 7.627 HZ2 :: 7.348 HZ3 :: 6.644 HH2 :: 6.768 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 :: 128.177 NE1 :: 130.679 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.712 CA :: 60.585 CB :: 72.245 CG2 :: 21.822 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.236 HA :: 4.843 HB :: 4.236 HG21 :: 1.197 HG22 :: 1.197 HG23 :: 1.197 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.681 Ave N Shift Values>> N :: 115.7(5.05) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.210 CA :: 56.849 CB :: 41.473 CD1 :: 132.611 CD2 :: 132.611 CE1 :: 117.440 CE2 :: 117.440 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 :: 8.540 HA :: 4.982 HB2 :: 2.887 HB3 :: 2.523 HD1 :: 7.810 HD2 :: 7.810 HE1 :: 6.378 HE2 :: 6.378 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 :: 121.033 Ave N Shift Values>> N :: 120.79(4.69) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.22 G 0.18 R 0.15 K 0.04 N 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 173.626 CA :: 51.824 CB :: 43.158 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 :: 7.645 HA :: 4.602 HB2 :: 2.275 HB3 :: 2.602 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.577 Ave N Shift Values>> N :: 120.73(4.2) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.22 R 0.17 D 0.12 F 0.1 Y 0.08 N 0.01 C Shift Assignments>> C :: 177.017 CA :: 56.258 CB :: 42.207 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 :: 8.542 HA :: 4.162 HB2 :: 2.538 HB3 :: 2.832 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 :: 124.962 Ave N Shift Values>> N :: 120.73(4.2) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.41 I 0.03 HN Overlap>> 1.D154 1.D154 C Shift Assignments>> C :: 178.897 CA :: 55.009 CB :: 18.321 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.302 HA :: 4.133 HB1 :: 1.521 HB2 :: 1.521 HB3 :: 1.521 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.932 Ave N Shift Values>> N :: 123.23(3.7) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.347 CA :: 60.445 CB :: 70.274 CG2 :: 21.219 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 :: 7.010 HA :: 4.413 HB :: 4.417 HG21 :: 1.092 HG22 :: 1.092 HG23 :: 1.092 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 :: 103.268 Ave N Shift Values>> N :: 115.7(5.05) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 K 0.28 L 0.08 G 0.04 C Shift Assignments>> C :: 174.075 CA :: 56.595 CB :: 29.239 CG :: 24.677 CD :: 28.248 CE :: 42.766 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 :: 7.863 HA :: 4.197 HB2 :: 2.026 HB3 :: 2.091 HG2 :: 1.239 HG3 :: 1.392 HD2 :: 1.435 HD3 :: 1.713 HE2 :: 2.967 HE3 :: 3.095 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 :: 123.067 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.838 CA :: 62.249 CB :: 72.031 CG2 :: 20.855 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 :: 7.382 HA :: 5.508 HB :: 3.773 HG21 :: 1.017 HG22 :: 1.017 HG23 :: 1.017 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.246 Ave N Shift Values>> N :: 115.7(5.05) 1.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.89 G 0.1 C Shift Assignments>> C :: 173.716 CA :: 57.197 CB :: 42.956 CD1 :: 131.908 CD2 :: 131.908 CE1 :: 131.306 CE2 :: 131.306 CZ :: 128.809 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 :: 10.366 HA :: 5.695 HB2 :: 3.307 HB3 :: 3.227 HD1 :: 7.809 HD2 :: 7.809 HE1 :: 7.168 HE2 :: 7.168 HZ :: 6.989 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 :: 130.830 Ave N Shift Values>> N :: 120.69(4.18) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.730 CA :: 61.537 CB :: 71.092 CG2 :: 20.678 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.088 HA :: 5.216 HB :: 3.839 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.037 Ave N Shift Values>> N :: 115.7(5.05) 1.V54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.92 A 0.07 C Shift Assignments>> C :: 172.375 CA :: 58.146 CB :: 32.424 CG1 :: 20.681 CG2 :: 19.812 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.208 HA :: 4.505 HB :: -0.211(S) HG11 :: -0.356(S) HG12 :: -0.356(S) HG13 :: -0.356(S) HG21 :: 0.383 HG22 :: 0.383 HG23 :: 0.383 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 :: 123.372 Ave N Shift Values>> N :: 121.02(4.96) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.Q2 1.Q2 C Shift Assignments>> C :: 173.539 CA :: 60.947 CB :: 70.534 CG2 :: 21.309 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 :: 8.336 HA :: 4.731 HB :: 3.871 HG21 :: 1.157 HG22 :: 1.157 HG23 :: 1.157 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 :: 123.434 Ave N Shift Values>> N :: 115.7(5.05) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 M 0.34 I 0.04 Q 0.02 K 0.02 C Shift Assignments>> C :: 175.150 CA :: 56.571 CB :: 31.959 CG :: 36.481 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 :: 8.135 HA :: 4.521 HB2 :: 2.185 HB3 :: 2.051 HG2 :: 2.433 HG3 :: 2.477 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 :: 128.752 Ave N Shift Values>> N :: 120.68(3.68) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 R 0.04 C Shift Assignments>> C :: 172.653 CA :: 45.205 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.796 HA2 :: 3.996 HA3 :: 4.093 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.718 Ave N Shift Values>> N :: 109.91(4.29) 1.S58 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 V 0.06 C Shift Assignments>> CB :: 76.394(A) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.026 HB2 :: 3.743 HB3 :: 3.743 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 :: 122.462 Ave N Shift Values>> N :: 116.3(3.95) 1.H59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.5 W 0.49 C Shift Assignments>> C :: 173.981 CA :: 56.103 CB :: 30.420 CD2 :: 119.606 CE1 :: 137.890 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>> HA :: 4.550 HB2 :: 2.984 HB3 :: 3.043 HD2 :: 6.931 HE1 :: 7.945 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) 1.M65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 A 0.26 HN Overlap>> 1.R112 1.R112 C Shift Assignments>> C :: 174.410 CA :: 55.525 CB :: 33.278 CG :: 31.880 CE :: 17.387 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 :: 8.196 HA :: 4.336 HB2 :: 1.853 HB3 :: 1.933 HG2 :: 2.325 HG3 :: 2.391 HE1 :: 2.171 HE2 :: 2.171 HE3 :: 2.171 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 :: 121.181 Ave N Shift Values>> N :: 120.1(3.88) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 K 0.13 N 0.12 F 0.08 Y 0.07 R 0.03 HN Overlap>> 1.Y149 1.Y149 C Shift Assignments>> C :: 175.570 CA :: 54.018 CB :: 41.189 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 :: 8.322 HA :: 4.597 HB2 :: 2.549 HB3 :: 2.718 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 :: 121.827 Ave N Shift Values>> N :: 120.73(4.2) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.720 CA :: 62.504 CB :: 32.808 CG1 :: 20.104 CG2 :: 21.203 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 :: 8.048 HA :: 4.050 HB :: 1.978 HG11 :: 0.791 HG12 :: 0.791 HG13 :: 0.791 HG21 :: 0.804 HG22 :: 0.804 HG23 :: 0.804 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 :: 119.568 Ave N Shift Values>> N :: 121.02(4.96) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.16 K 0.12 M 0.08 Q 0.04 C Shift Assignments>> C :: 176.196 CA :: 57.846 CB :: 29.851 CG :: 36.462 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 :: 8.411 HA :: 4.119 HB2 :: 1.980 HB3 :: 2.023 HG2 :: 2.254 HG3 :: 2.254 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 :: 123.091 Ave N Shift Values>> N :: 120.68(3.68) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 R 0.04 C Shift Assignments>> C :: 173.461 CA :: 45.236 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.284 HA2 :: 3.988 HA3 :: 3.961 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.621 Ave N Shift Values>> N :: 109.91(4.29) 1.M70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.31 HN Overlap>> 1.T86 1.T86 C Shift Assignments>> C :: 174.855 CA :: 55.789 CB :: 34.423 CG :: 33.525 CE :: 17.838 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.752 HA :: 4.680 HB2 :: 1.766 HB3 :: 1.867 HG2 :: 2.260 HG3 :: 2.480 HE1 :: 1.696 HE2 :: 1.696 HE3 :: 1.696 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 :: 118.353 Ave N Shift Values>> N :: 120.1(3.88) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.283 CA :: 63.090 CB :: 70.507 CG2 :: 22.137 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 :: 8.866 HA :: 4.541 HB :: 3.852 HG21 :: 1.200 HG22 :: 1.200 HG23 :: 1.200 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 :: 117.776 Ave N Shift Values>> N :: 115.7(5.05) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 171.698 CA :: 58.616 CB :: 64.886 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.982 HA :: 5.351 HB2 :: 3.627 HB3 :: 3.929 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 :: 122.227 Ave N Shift Values>> N :: 116.3(3.95) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 G 0.36 A 0.03 C Shift Assignments>> C :: 175.185 CA :: 52.776 CB :: 44.150 CG :: 26.844 CD1 :: 23.522 CD2 :: 23.522 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 :: 9.335 HA :: 5.137 HB2 :: 1.234 HB3 :: 1.695 HG :: 0.939 HD11 :: 0.879 HD12 :: 0.879 HD13 :: 0.879 HD21 :: 0.879 HD22 :: 0.879 HD23 :: 0.879 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.004 Ave N Shift Values>> N :: 121.98(4.07) 1.K74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.64 R 0.31 M 0.03 HN Overlap>> 1.F119 1.F119 C Shift Assignments>> C :: 173.804 CA :: 55.208 CB :: 34.986 CG :: 25.648 CD :: 29.685 CE :: 41.365 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 :: 9.306 HA :: 4.830 HB2 :: 1.415 HB3 :: 1.713 HG2 :: 1.055 HG3 :: 1.055 HD2 :: 1.395 HD3 :: 1.456 HE2 :: 2.257(S) HE3 :: 2.257(S) 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 :: 123.440 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 172.662 CA :: 60.945 CB :: 33.391 CG1 :: 21.568 CG2 :: 22.953 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 :: 9.241 HA :: 4.776 HB :: 1.889 HG11 :: 0.746 HG12 :: 0.746 HG13 :: 0.746 HG21 :: 1.022 HG22 :: 1.022 HG23 :: 1.022 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.625 Ave N Shift Values>> N :: 121.02(4.96) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.01 D 0.01 C Shift Assignments>> C :: 174.348 CA :: 52.673 CB :: 45.477 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 :: 9.428 HA :: 5.323 HB2 :: 2.489 HB3 :: 2.718 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 :: 126.159 Ave N Shift Values>> N :: 120.73(4.2) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 Y 0.12 D 0.11 F 0.08 E 0.07 M 0.03 L 0.01 C Shift Assignments>> C :: 173.554 CA :: 53.664 CB :: 37.665 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 :: 8.792 HA :: 4.504 HB2 :: 2.742 HB3 :: 3.682 HD21 :: 6.807 HD22 :: 8.229 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 :: 113.788 ND2 :: 111.757 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 R 0.3 L 0.14 A 0.01 HN Overlap>> 1.Y94 1.Y94 C Shift Assignments>> C :: 178.276 CA :: 53.769 CB :: 43.936 CG :: 24.660 CD1 :: 27.210 CD2 :: 27.210 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 :: 7.680 HA :: 4.415 HB2 :: 1.245 HB3 :: 1.383 HG :: 0.817 HD11 :: 0.628 HD12 :: 0.628 HD13 :: 0.628 HD21 :: 0.628 HD22 :: 0.628 HD23 :: 0.628 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 :: 115.249 Ave N Shift Values>> N :: 121.98(4.07) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.487 CA :: 60.856 CB :: 70.789 CG2 :: 22.794 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 :: 8.431 HA :: 4.417 HB :: 4.453 HG21 :: 1.404 HG22 :: 1.404 HG23 :: 1.404 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.713 Ave N Shift Values>> N :: 115.7(5.05) 1.Y80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 H 0.01 HN Overlap>> 1.H157 1.D124 1.H157 1.D124 C Shift Assignments>> C :: 175.235 CA :: 59.285 CB :: 36.960 CD1 :: 132.695 CD2 :: 132.695 CE1 :: 118.239 CE2 :: 118.239 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.116 HA :: 4.334 HB2 :: 3.104 HB3 :: 3.201 HD1 :: 7.111 HD2 :: 7.111 HE1 :: 6.809 HE2 :: 6.809 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.675 Ave N Shift Values>> N :: 120.79(4.69) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 K 0.2 G 0.12 L 0.06 C Shift Assignments>> C :: 175.493 CA :: 55.891 CB :: 30.024 CG :: 26.057 CD :: 43.484 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 :: 7.398 HA :: 4.252 HB2 :: 1.700 HB3 :: 1.791 HG2 :: 1.218 HG3 :: 1.439 HD2 :: 3.092 HD3 :: 3.092 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 114.988 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.331 CA :: 64.700 CB :: 68.275 CG2 :: 21.807 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 :: 7.390 HA :: 4.073 HB :: 4.065 HG21 :: 1.146 HG22 :: 1.146 HG23 :: 1.146 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 :: 119.123 Ave N Shift Values>> N :: 115.7(5.05) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.382 CA :: 55.531 CB :: 64.331 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.457 HA :: 4.866 HB2 :: 3.984 HB3 :: 4.413 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.663 Ave N Shift Values>> N :: 116.3(3.95) 1.P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.213 CA :: 65.855 CB :: 31.643 CG :: 28.138 CD :: 50.658 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 :: 4.085 HB2 :: 2.065 HB3 :: 2.207 HG2 :: 2.308 HG3 :: 1.941 HD2 :: 4.045 HD3 :: 3.823 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 K 0.18 L 0.15 D 0.1 I 0.04 R 0.03 N 0.01 HN Overlap>> 1.R96 1.R96 C Shift Assignments>> C :: 177.356 CA :: 57.405 CB :: 40.914 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 :: 8.060 HA :: 4.401 HB2 :: 2.643 HB3 :: 2.643 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 :: 115.817 Ave N Shift Values>> N :: 120.73(4.2) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.M70 1.M70 C Shift Assignments>> C :: 175.149 CA :: 66.328 CB :: 68.195 CG2 :: 22.130 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 :: 7.839 HA :: 3.930 HB :: 4.358 HG21 :: 1.279 HG22 :: 1.279 HG23 :: 1.279 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.424 Ave N Shift Values>> N :: 115.7(5.05) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.15 G 0.04 C Shift Assignments>> C :: 177.448 CA :: 57.697 CB :: 42.507 CG :: 26.652 CD1 :: 25.860 CD2 :: 24.405 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 :: 7.625 HA :: 4.077 HB2 :: 1.797 HB3 :: 1.414 HG :: 1.617 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 HD21 :: 0.718 HD22 :: 0.718 HD23 :: 0.718 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 :: 119.242 Ave N Shift Values>> N :: 121.98(4.07) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.15 K 0.14 C Shift Assignments>> C :: 175.896 CA :: 61.018 CB :: 30.224 CG :: 28.102 CD :: 43.105 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 :: 8.603 HA :: 3.666 HB2 :: 1.954 HB3 :: 2.020 HG2 :: 1.382 HG3 :: 1.490 HD2 :: 3.146 HD3 :: 3.315 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 :: 118.881 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 K 0.14 G 0.12 C Shift Assignments>> C :: 178.236 CA :: 59.319 CB :: 30.261 CG :: 27.614 CD :: 43.339 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 :: 7.768 HA :: 4.098 HB2 :: 1.970 HB3 :: 1.970 HG2 :: 1.711 HG3 :: 1.809 HD2 :: 3.227 HD3 :: 3.227 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 :: 116.020 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.964 CA :: 65.464 CB :: 32.296 CG1 :: 21.432 CG2 :: 21.992 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 :: 7.858 HA :: 3.880 HB :: 2.216 HG11 :: 0.792 HG12 :: 0.792 HG13 :: 0.792 HG21 :: 1.107 HG22 :: 1.107 HG23 :: 1.107 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 :: 115.768 Ave N Shift Values>> N :: 121.02(4.96) 1.F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.571 CA :: 62.864 CB :: 38.776 CD1 :: 132.041 CD2 :: 132.041 CE1 :: 130.583 CE2 :: 130.583 CZ :: 131.378 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 :: 8.251 HA :: 4.534 HB2 :: 3.031 HB3 :: 3.218 HD1 :: 7.759 HD2 :: 7.759 HE1 :: 7.023 HE2 :: 7.023 HZ :: 7.084 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 :: 116.162 Ave N Shift Values>> N :: 120.69(4.18) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.34 K 0.07 M 0.01 L 0.01 C Shift Assignments>> C :: 176.732 CA :: 57.566 CB :: 28.810 CG :: 37.468 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 :: 8.723 HA :: 5.071 HB2 :: 2.105 HB3 :: 2.266 HG2 :: 2.474 HG3 :: 2.545 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.344 Ave N Shift Values>> N :: 120.68(3.68) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.35 M 0.04 C Shift Assignments>> C :: 176.271 CA :: 58.125 CB :: 31.909 CG :: 24.308 CD :: 28.622 CE :: 41.793 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 :: 6.896 HA :: 3.914 HB2 :: 1.154 HB3 :: 1.459 HG2 :: 1.145 HG3 :: 0.951 HD2 :: 1.513 HD3 :: 1.556 HE2 :: 2.884 HE3 :: 2.884 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.414 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.L78 1.L78 C Shift Assignments>> C :: 173.364 CA :: 58.998 CB :: 39.375 CD1 :: 132.801 CD2 :: 132.801 CE1 :: 118.347 CE2 :: 118.347 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.672 HA :: 4.332 HB2 :: 2.849 HB3 :: 3.402 HD1 :: 7.286 HD2 :: 7.286 HE1 :: 6.638 HE2 :: 6.638 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 :: 115.228 Ave N Shift Values>> N :: 120.79(4.69) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.26 R 0.25 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 170.473 CA :: 44.261 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.377 HA2 :: 3.861 HA3 :: 4.739 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.816 Ave N Shift Values>> N :: 109.91(4.29) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.16 G 0.11 HN Overlap>> 1.D85 1.D85 C Shift Assignments>> C :: 175.939 CA :: 57.446 CB :: 30.712 CG :: 26.984 CD :: 43.371 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 :: 7.973 HA :: 4.340 HB2 :: 1.803 HB3 :: 1.892 HG2 :: 1.551 HG3 :: 1.551 HD2 :: 3.107 HD3 :: 3.107 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.749 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.748 CA :: 61.745 CB :: 33.439 CG1 :: 22.075 CG2 :: 22.301 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 :: 8.877 HA :: 3.762 HB :: 1.864 HG11 :: 0.429 HG12 :: 0.429 HG13 :: 0.429 HG21 :: 0.532 HG22 :: 0.532 HG23 :: 0.532 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.345 Ave N Shift Values>> N :: 121.02(4.96) 1.G98 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 :: 172.142 CA :: 45.967 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.047 HA2 :: 4.326 HA3 :: 3.319 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.216 Ave N Shift Values>> N :: 109.91(4.29) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 L 0.33 R 0.21 D 0.05 F 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 172.545 CA :: 54.615 CB :: 44.381 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 :: 7.387 HA :: 4.667 HB2 :: 2.144 HB3 :: 2.758 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.198 Ave N Shift Values>> N :: 120.73(4.2) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.R143 1.R143 C Shift Assignments>> C :: 172.647 CA :: 61.787 CB :: 34.805 CG1 :: 21.792 CG2 :: 21.798 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 :: 7.810 HA :: 4.704 HB :: 1.938 HG11 :: 0.831 HG12 :: 0.831 HG13 :: 0.831 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.493 Ave N Shift Values>> N :: 121.02(4.96) 1.Y101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.622 CA :: 55.357 CB :: 41.450 CD1 :: 132.700 CD2 :: 132.700 CE1 :: 117.933 CE2 :: 117.933 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 :: 9.092 HA :: 5.085 HB2 :: 2.781 HB3 :: 3.179 HD1 :: 7.048 HD2 :: 7.048 HE1 :: 6.773 HE2 :: 6.773 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 :: 127.543 Ave N Shift Values>> N :: 120.79(4.69) 1.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 C Shift Assignments>> C :: 172.031 CA :: 58.173 CB :: 38.963 CG1 :: 27.318 CG2 :: 16.673 CD1 :: 13.357 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 :: 8.553 HA :: 4.418 HB :: 1.693 HG12 :: 0.764 HG13 :: 0.764 HG21 :: 0.727 HG22 :: 0.727 HG23 :: 0.727 HD11 :: 0.583 HD12 :: 0.583 HD13 :: 0.583 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 :: 129.138 Ave N Shift Values>> N :: 121.6(4.72) 1.P103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.586 CA :: 62.489 CB :: 31.862 CG :: 27.472 CD :: 50.454 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 :: 4.056 HB2 :: 1.560 HB3 :: 2.198 HG2 :: 1.577 HG3 :: 1.577 HD2 :: 3.088 HD3 :: 3.363 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 Q 0.27 K 0.21 E 0.04 R 0.04 C Shift Assignments>> C :: 175.512 CA :: 54.600 CB :: 32.730 CG :: 30.785 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 :: 8.206 HA :: 4.195 HB2 :: 2.109 HB3 :: 2.232 HG2 :: 2.213 HG3 :: 2.446 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 :: 119.626 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.27 D 0.12 K 0.09 F 0.05 G 0.05 Y 0.03 N 0.01 C Shift Assignments>> C :: 176.805 CA :: 54.919 CB :: 43.199 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 :: 8.581 HA :: 4.459 HB2 :: 2.569 HB3 :: 2.972 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 :: 122.661 Ave N Shift Values>> N :: 120.73(4.2) 1.R106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.18 G 0.1 L 0.02 C Shift Assignments>> C :: 175.124 CA :: 58.006 CB :: 30.309 CG :: 26.511 CD :: 43.282 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 :: 8.480 HA :: 4.004 HB2 :: 1.555 HB3 :: 1.693 HG2 :: 1.201 HG3 :: 1.293 HD2 :: 3.006 HD3 :: 3.006 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 :: 122.111 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Y107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.720 CA :: 59.073 CB :: 38.641 CD1 :: 133.241 CD2 :: 133.241 CE1 :: 118.026 CE2 :: 118.026 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 :: 8.448 HA :: 4.677 HB2 :: 3.095 HB3 :: 3.192 HD1 :: 7.219 HD2 :: 7.219 HE1 :: 6.792 HE2 :: 6.792 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 :: 118.128 Ave N Shift Values>> N :: 120.79(4.69) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.934 CA :: 61.825 CB :: 70.339 CG2 :: 21.436 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 :: 8.927 HA :: 4.335 HB :: 4.424 HG21 :: 1.281 HG22 :: 1.281 HG23 :: 1.281 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.175 Ave N Shift Values>> N :: 115.7(5.05) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 R 0.43 L 0.05 G 0.01 C Shift Assignments>> C :: 174.654 CA :: 57.657 CB :: 30.238 CG :: 25.117 CE :: 42.141 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 :: 7.973 HA :: 4.003 HB2 :: 1.990 HB3 :: 2.122 HG2 :: 1.365 HG3 :: 1.319 HE2 :: 2.967 HE3 :: 2.967 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 :: 115.276 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 M 0.28 K 0.05 Q 0.05 I 0.04 C Shift Assignments>> C :: 175.545 CA :: 56.148 CB :: 31.195 CG :: 36.332 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.884 HA :: 4.344 HB2 :: 1.821 HB3 :: 2.036 HG2 :: 2.241 HG3 :: 2.241 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.003 Ave N Shift Values>> N :: 120.68(3.68) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.401 CA :: 58.315 CB :: 63.911 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.555 HA :: 4.318 HB2 :: 3.814 HB3 :: 4.002 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.350 Ave N Shift Values>> N :: 116.3(3.95) 1.R112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.15 K 0.14 HN Overlap>> 1.M65 1.Y33 1.M65 1.Y33 C Shift Assignments>> C :: 176.039 CA :: 55.690 CB :: 30.892 CG :: 27.276 CD :: 43.593 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.161 HA :: 4.359 HB2 :: 1.337 HB3 :: 2.119 HG2 :: 1.525 HG3 :: 1.525 HD2 :: 3.145 HD3 :: 3.145 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 :: 121.102 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 170.921 CA :: 45.868 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.426 HA2 :: 3.652 HA3 :: 4.226 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.609 Ave N Shift Values>> N :: 109.91(4.29) 1.F114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.93 G 0.06 C Shift Assignments>> C :: 171.422 CA :: 54.464 CB :: 42.431 CD1 :: 132.329 CD2 :: 132.329 CE1 :: 131.294 CE2 :: 131.294 CZ :: 129.563 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 :: 6.991 HA :: 5.668 HB2 :: 2.830 HB3 :: 3.201 HD1 :: 6.691 HD2 :: 6.691 HE1 :: 7.221 HE2 :: 7.221 HZ :: 7.278 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 113.200 Ave N Shift Values>> N :: 120.69(4.18) 1.A115 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.92 L 0.03 R 0.01 C Shift Assignments>> C :: 174.244 CA :: 49.717 CB :: 26.101(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.900 HA :: 4.850 HB1 :: 0.986 HB2 :: 0.986 HB3 :: 0.986 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.209 Ave N Shift Values>> N :: 123.23(3.7) 1.F116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 174.324 CA :: 56.407 CB :: 41.455 CD1 :: 131.096 CD2 :: 131.096 CE1 :: 131.362 CE2 :: 131.362 CZ :: 129.718 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 :: 9.056 HA :: 5.816 HB2 :: 2.837 HB3 :: 2.837 HD1 :: 7.382 HD2 :: 7.382 HE1 :: 7.140 HE2 :: 7.140 HZ :: 7.412 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 :: 116.218 Ave N Shift Values>> N :: 120.69(4.18) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.344 CA :: 61.483 CB :: 34.000 CG1 :: 20.625 CG2 :: 21.654 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 :: 8.887 HA :: 4.346 HB :: 1.404 HG11 :: 0.306 HG12 :: 0.306 HG13 :: 0.306 HG21 :: 0.329 HG22 :: 0.329 HG23 :: 0.329 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 :: 123.139 Ave N Shift Values>> N :: 121.02(4.96) 1.R118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 K 0.34 G 0.09 C Shift Assignments>> C :: 174.452 CA :: 54.737 CB :: 32.342 CG :: 27.859 CD :: 43.207 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 :: 8.684 HA :: 5.274 HB2 :: 1.431 HB3 :: 1.732 HG2 :: 1.102 HG3 :: 1.102 HD2 :: 2.926 HD3 :: 2.926 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 :: 125.469 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.97 G 0.02 HN Overlap>> 1.K74 1.K74 C Shift Assignments>> C :: 174.659 CA :: 57.622 CB :: 42.138 CD1 :: 131.850 CD2 :: 131.850 CE1 :: 130.930 CE2 :: 130.930 CZ :: 129.656 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 :: 9.228 HA :: 4.868 HB2 :: 2.786 HB3 :: 3.651 HD1 :: 7.235 HD2 :: 7.235 HE1 :: 7.086 HE2 :: 7.086 HZ :: 7.479 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.512 Ave N Shift Values>> N :: 120.69(4.18) 1.H120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.2 E 0.14 R 0.13 I 0.11 V 0.1 H 0.09 Q 0.07 K 0.05 M 0.04 P 0.02 C Shift Assignments>> C :: 174.421 CA :: 59.901 CB :: 30.477 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 :: 7.757 HA :: 4.421 HB2 :: 3.118 HB3 :: 3.238 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 :: 119.783 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.28 R 0.14 D 0.07 F 0.01 Y 0.01 C Shift Assignments>> C :: 175.170 CA :: 52.899 CB :: 44.237 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 :: 9.242 HA :: 5.090 HB2 :: 2.599 HB3 :: 2.890 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.858 Ave N Shift Values>> N :: 120.73(4.2) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.15 M 0.04 G 0.01 C Shift Assignments>> C :: 176.566 CA :: 59.860 CB :: 33.061 CG :: 24.288 CD :: 29.513 CE :: 41.788 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 :: 8.739 HA :: 3.887 HB2 :: 1.806 HB3 :: 1.961 HG2 :: 1.409 HG3 :: 1.409 HD2 :: 1.682 HD3 :: 1.682 HE2 :: 2.954 HE3 :: 2.954 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.488 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 K 0.24 G 0.06 L 0.06 C Shift Assignments>> C :: 177.472 CA :: 58.431 CB :: 29.560 CG :: 26.727 CD :: 43.013 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 :: 8.596 HA :: 4.125 HB2 :: 1.871 HB3 :: 1.923 HG2 :: 1.765 HG3 :: 1.774 HD2 :: 3.290 HD3 :: 3.290 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 :: 118.684 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 L 0.16 D 0.15 K 0.14 I 0.04 N 0.03 R 0.02 HN Overlap>> 1.Y80 1.H157 1.Y80 1.H157 C Shift Assignments>> C :: 175.852 CA :: 56.854 CB :: 40.674 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 :: 7.091 HA :: 4.219 HB2 :: 2.674 HB3 :: 3.006 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.689 Ave N Shift Values>> N :: 120.73(4.2) 1.A125 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.52 M 0.44 I 0.01 C Shift Assignments>> C :: 177.979 CA :: 54.303 CB :: 18.342 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.879 HA :: 2.859(S) HB1 :: 1.270 HB2 :: 1.270 HB3 :: 1.270 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.696 Ave N Shift Values>> N :: 123.23(3.7) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 E 0.42 K 0.04 M 0.01 C Shift Assignments>> C :: 178.011 CA :: 59.898 CB :: 29.396 CG :: 37.134 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 :: 8.064 HA :: 3.679 HB2 :: 2.181 HB3 :: 1.977 HG2 :: 2.098 HG3 :: 2.473 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 :: 117.557 Ave N Shift Values>> N :: 120.68(3.68) 1.D127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 L 0.12 D 0.12 K 0.09 I 0.06 N 0.02 R 0.01 HN Overlap>> 1.E42 1.E42 1.V39 1.V39 C Shift Assignments>> C :: 178.074 CA :: 57.248 CB :: 40.325 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 :: 8.084 HA :: 4.295 HB2 :: 3.018 HB3 :: 2.712 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.849 Ave N Shift Values>> N :: 120.73(4.2) 1.A128 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.53 M 0.39 L 0.03 V 0.01 C Shift Assignments>> C :: 177.846 CA :: 54.357 CB :: 19.889 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.152 HA :: 2.754(S) HB1 :: 1.305 HB2 :: 1.305 HB3 :: 1.305 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.493 Ave N Shift Values>> N :: 123.23(3.7) 1.M129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.91 I 0.08 C Shift Assignments>> C :: 175.961 CA :: 59.989 CB :: 33.237 CG :: 31.153 CE :: 16.440 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 :: 8.345 HA :: 3.686 HB2 :: 2.277 HB3 :: 1.931 HG2 :: 2.296 HG3 :: 2.443 HE1 :: 2.139 HE2 :: 2.139 HE3 :: 2.139 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 :: 118.603 Ave N Shift Values>> N :: 120.1(3.88) 1.D130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.18 L 0.18 Y 0.15 D 0.12 R 0.06 I 0.02 N 0.01 C Shift Assignments>> C :: 176.995 CA :: 56.923 CB :: 41.268 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 :: 7.749 HA :: 4.355 HB2 :: 2.742 HB3 :: 2.625 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 :: 117.093 Ave N Shift Values>> N :: 120.73(4.2) 1.A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.36 L 0.07 V 0.01 C Shift Assignments>> C :: 179.015 CA :: 54.086 CB :: 20.381 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.351 HA :: 4.173 HB1 :: 1.157 HB2 :: 1.157 HB3 :: 1.157 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.777 Ave N Shift Values>> N :: 123.23(3.7) 1.M132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 A 0.21 C Shift Assignments>> C :: 176.646 CA :: 53.256 CB :: 31.368 CE :: 15.218 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 :: 8.146 HA :: 4.800 HB2 :: 2.037 HB3 :: 1.823 HE1 :: 1.567 HE2 :: 1.567 HE3 :: 1.567 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 112.363 Ave N Shift Values>> N :: 120.1(3.88) 1.D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 F 0.22 Y 0.17 L 0.15 D 0.07 R 0.07 I 0.04 C Shift Assignments>> C :: 176.345 CA :: 57.788 CB :: 41.339 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 :: 7.914 HA :: 4.435 HB2 :: 2.810 HB3 :: 2.977 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 :: 120.159 Ave N Shift Values>> N :: 120.73(4.2) 1.G134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.01 C Shift Assignments>> C :: 172.487 CA :: 45.733 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.724 HA2 :: 3.708 HA3 :: 4.297 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.920 Ave N Shift Values>> N :: 109.91(4.29) 1.A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 L 0.02 C Shift Assignments>> C :: 174.900 CA :: 51.605 CB :: 20.116 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.958 HA :: 4.374 HB1 :: 1.504 HB2 :: 1.504 HB3 :: 1.504 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.877 Ave N Shift Values>> N :: 123.23(3.7) 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.469 CA :: 61.603 CB :: 32.326 CG1 :: 21.109 CG2 :: 21.950 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 :: 8.140 HA :: 4.686 HB :: 1.824 HG11 :: 0.697 HG12 :: 0.697 HG13 :: 0.697 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.631 Ave N Shift Values>> N :: 121.02(4.96) 1.L137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.24 R 0.07 A 0.01 C Shift Assignments>> C :: 175.372 CA :: 54.556 CB :: 45.300 CG :: 27.898 CD1 :: 24.127 CD2 :: 26.464 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 :: 8.934 HA :: 4.566 HB2 :: 1.222 HB3 :: 1.832 HG :: 1.459 HD11 :: 0.937 HD12 :: 0.937 HD13 :: 0.937 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 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 :: 129.568 Ave N Shift Values>> N :: 121.98(4.07) 1.D138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.18 F 0.16 Y 0.16 L 0.13 K 0.03 I 0.01 C Shift Assignments>> C :: 174.644 CA :: 55.049 CB :: 39.914 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 :: 9.485 HA :: 4.255 HB2 :: 2.264 HB3 :: 3.102 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 :: 129.722 Ave N Shift Values>> N :: 120.73(4.2) 1.G139 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 :: 172.880 CA :: 45.447 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.039 HA2 :: 4.052 HA3 :: 3.500 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 100.618 Ave N Shift Values>> N :: 109.91(4.29) 1.R140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 K 0.37 G 0.11 C Shift Assignments>> C :: 173.309 CA :: 53.718 CB :: 33.273 CG :: 27.029 CD :: 42.929 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 :: 7.530 HA :: 4.573 HB2 :: 1.861 HB3 :: 1.935 HG2 :: 1.479 HG3 :: 1.714 HD2 :: 3.058 HD3 :: 3.058 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 :: 120.254 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.12 K 0.12 I 0.07 Q 0.04 C Shift Assignments>> C :: 175.158 CA :: 55.825 CB :: 29.939 CG :: 36.641 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 :: 8.393 HA :: 4.341 HB2 :: 1.894 HB3 :: 1.789 HG2 :: 2.066 HG3 :: 2.148 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 :: 121.179 Ave N Shift Values>> N :: 120.68(3.68) 1.L142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 G 0.21 R 0.06 A 0.06 C Shift Assignments>> C :: 176.970 CA :: 55.085 CB :: 43.684 CG :: 26.279 CD1 :: 22.679 CD2 :: 25.413 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 :: 9.383 HA :: 4.586 HB2 :: 2.198 HB3 :: 1.269 HG :: 1.968 HD11 :: 0.776 HD12 :: 0.776 HD13 :: 0.776 HD21 :: 0.805 HD22 :: 0.805 HD23 :: 0.805 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 :: 128.043 Ave N Shift Values>> N :: 121.98(4.07) 1.R143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.23 G 0.12 HN Overlap>> 1.V100 1.V100 C Shift Assignments>> C :: 174.601 CA :: 54.310 CB :: 32.314 CG :: 26.930 CD :: 43.234 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 :: 7.712 HA :: 5.195 HB2 :: 1.720 HB3 :: 1.882 HG2 :: 1.652 HG3 :: 1.652 HD2 :: 3.283 HD3 :: 3.283 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 :: 121.450 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 I 0.01 K 0.01 C Shift Assignments>> C :: 172.512 CA :: 61.211 CB :: 34.528 CG1 :: 24.742 CG2 :: 22.508 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 :: 9.547 HA :: 5.151 HB :: 1.976 HG11 :: 1.016 HG12 :: 1.016 HG13 :: 1.016 HG21 :: 1.067 HG22 :: 1.067 HG23 :: 1.067 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 :: 127.015 Ave N Shift Values>> N :: 121.02(4.96) 1.Q145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.84 Q 0.08 E 0.06 C Shift Assignments>> C :: 173.534 CA :: 53.515 CB :: 34.008 CG :: 33.699 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 :: 8.548 HA :: 4.982 HB2 :: 1.990 HB3 :: 2.097 HG2 :: 2.159 HG3 :: 2.364 HE21 :: 6.843 HE22 :: 7.602 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 :: 122.228 NE2 :: 112.129 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 A 0.19 C Shift Assignments>> C :: 175.421 CA :: 55.990 CB :: 31.927 CG :: 32.299 CE :: 17.053 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 :: 8.752 HA :: 4.691 HB2 :: 1.984 HB3 :: 2.030 HG2 :: 2.575 HG3 :: 2.670 HE1 :: 1.947 HE2 :: 1.947 HE3 :: 1.947 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 :: 122.173 Ave N Shift Values>> N :: 120.1(3.88) 1.A147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 L 0.03 C Shift Assignments>> C :: 175.720 CA :: 52.242 CB :: 20.206 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.630 HA :: 4.469 HB1 :: 1.367 HB2 :: 1.367 HB3 :: 1.367 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.568 Ave N Shift Values>> N :: 123.23(3.7) 1.R148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.22 G 0.1 C Shift Assignments>> C :: 174.477 CA :: 55.859 CB :: 31.301 CG :: 27.120 CD :: 43.289 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 :: 8.374 HA :: 4.352 HB2 :: 1.698 HB3 :: 1.751 HG2 :: 1.524 HG3 :: 1.524 HD2 :: 3.139 HD3 :: 3.139 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 :: 120.213 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Y149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.D66 1.D66 C Shift Assignments>> C :: 174.963 CA :: 57.834 CB :: 39.077 CD1 :: 133.263 CD2 :: 133.263 CE1 :: 118.042 CE2 :: 118.042 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 :: 8.260 HA :: 4.512 HB2 :: 2.811 HB3 :: 2.947 HD1 :: 7.000 HD2 :: 7.000 HE1 :: 6.703 HE2 :: 6.703 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 :: 121.803 Ave N Shift Values>> N :: 120.79(4.69) 1.G150 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 :: 172.163 CA :: 45.072 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.102 HA2 :: 3.706 HA3 :: 3.826 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.852 Ave N Shift Values>> N :: 109.91(4.29) 1.R151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 G 0.14 K 0.09 L 0.02 C Shift Assignments>> C :: 172.806 CA :: 53.714 CB :: 30.415 CG :: 26.793 CD :: 43.290 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 :: 7.980 HA :: 4.508 HB2 :: 1.622 HB3 :: 1.734 HG2 :: 1.546 HG3 :: 1.546 HD2 :: 3.097 HD3 :: 3.097 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 :: 121.457 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.610 CB :: 30.820 CG :: 27.473 CD :: 50.629 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 :: 4.637 HB2 :: 1.890 HB3 :: 2.304 HG2 :: 2.030 HG3 :: 1.959 HD2 :: 3.547 HD3 :: 3.787 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.631 CA :: 63.232 CB :: 31.994 CG :: 27.397 CD :: 50.489 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 :: 4.384 HB2 :: 1.904 HB3 :: 2.248 HG2 :: 1.967 HG3 :: 1.967 HD2 :: 3.722 HD3 :: 3.585 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.14 N 0.1 F 0.09 Y 0.07 R 0.03 HN Overlap>> 1.A48 1.A48 C Shift Assignments>> C :: 175.321 CA :: 54.242 CB :: 41.198 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 :: 8.341 HA :: 4.569 HB2 :: 2.656 HB3 :: 2.656 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.906 Ave N Shift Values>> N :: 120.73(4.2) 1.S155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.345 CA :: 58.360 CB :: 63.769 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.127 HA :: 4.383 HB2 :: 3.770 HB3 :: 3.770 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 :: 115.254 Ave N Shift Values>> N :: 116.3(3.95) 1.H156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 W 0.49 HN Overlap>> 1.Y33 1.Y33 C Shift Assignments>> CA :: 56.178 CB :: 30.169 CD2 :: 119.646 CE1 :: 137.788 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 :: 8.331 HA :: 4.618 HB2 :: 2.973 HB3 :: 2.973 HD2 :: 6.952 HE1 :: 7.908 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 :: 120.979 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 W 0.49 HN Overlap>> 1.Y80 1.Y80 1.D124 1.D124 C Shift Assignments>> C :: 173.152 CA :: 55.838 CB :: 30.409 CE1 :: 138.715 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 :: 7.104 HA :: 4.691 HB2 :: 3.100 HB3 :: 3.211 HE1 :: 7.746 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 :: 119.686 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 177.680 CA :: 60.044 CB :: 64.730 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.026 HA :: 4.262 HB2 :: 3.857 HB3 :: 3.857 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 :: 122.894 Ave N Shift Values>> N :: 116.3(3.95) ########################################################################### Overall Results: #Consistent: 148 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 151 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 158 #Suspicious: 0 C Shift Results: #Consistent: 666 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent:1013 #Duplicate: 0 #Unknown: 0 #Suspicious: 15 #Anomalous: 0 N Shift Results: #Consistent: 155 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L5 HB2 = -1.110(S), Expected = 1.63, Std = 0.3400, ChiSquare = 7.7032e-16 1.A26 HB1 = 0.531(S), Expected = 1.38, Std = 0.2500, ChiSquare = 6.8378e-04 1.A26 HB2 = 0.531(S), Expected = 1.38, Std = 0.2500, ChiSquare = 6.8378e-04 1.A26 HB3 = 0.531(S), Expected = 1.38, Std = 0.2500, ChiSquare = 6.8378e-04 1.E27 HA = 2.661(S), Expected = 4.26, Std = 0.4300, ChiSquare = 2.0033e-04 1.K31 HE2 = 1.694(S), Expected = 2.93, Std = 0.2000, ChiSquare = 6.4102e-10 1.K31 HE3 = 1.917(S), Expected = 2.93, Std = 0.2000, ChiSquare = 4.0840e-07 1.V54 HB = -0.211(S), Expected = 1.99, Std = 0.3300, ChiSquare = 2.5633e-11 1.V54 HG11 = -0.356(S), Expected = 0.84, Std = 0.2700, ChiSquare = 9.4395e-06 1.V54 HG12 = -0.356(S), Expected = 0.84, Std = 0.2700, ChiSquare = 9.4395e-06 1.V54 HG13 = -0.356(S), Expected = 0.84, Std = 0.2700, ChiSquare = 9.4395e-06 1.S58 Typing: Mistyped 1.S58 CB = 76.394(A), Expected = 63.80, Std = 1.5700, ChiSquare = 1.0433e-15 1.K74 HE2 = 2.257(S), Expected = 2.93, Std = 0.2000, ChiSquare = 7.6544e-04 1.K74 HE3 = 2.257(S), Expected = 2.93, Std = 0.2000, ChiSquare = 7.6544e-04 1.A115 Typing: Mistyped 1.A115 CB = 26.101(S), Expected = 18.90, Std = 1.8500, ChiSquare = 9.9244e-05 1.A125 HA = 2.859(S), Expected = 4.26, Std = 0.4200, ChiSquare = 8.5081e-04 1.A128 HA = 2.754(S), Expected = 4.26, Std = 0.4200, ChiSquare = 3.3616e-04