Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.81 M 0.17 C Shift Assignments>> C :: 173.776 CA :: 52.108 CB :: 19.522 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.111 HB1 :: 1.558 HB2 :: 1.558 HB3 :: 1.558 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.843 CA :: 55.075 CB :: 63.708 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.883 HA :: 4.977 HB2 :: 3.938 HB3 :: 3.802 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.319 Ave N Shift Values>> N :: 116.3(3.95) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.787 CA :: 63.678 CB :: 32.119 CG :: 27.606 CD :: 50.940 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 :: 4.300 HB2 :: 2.355 HB3 :: 1.923 HG2 :: 2.079 HG3 :: 2.024 HD2 :: 3.825 HD3 :: 3.683 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.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.502 CA :: 62.285 CB :: 73.666 CG2 :: 21.828 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 :: 8.235 HA :: 4.781 HB :: 3.545 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 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 :: 118.985 Ave N Shift Values>> N :: 115.7(5.05) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.996 CA :: 61.194 CB :: 33.925 CG1 :: 21.616 CG2 :: 20.680 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 :: 9.186 HA :: 4.541 HB :: 1.719 HG11 :: 0.727 HG12 :: 0.727 HG13 :: 0.727 HG21 :: 0.640 HG22 :: 0.640 HG23 :: 0.640 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.483 Ave N Shift Values>> N :: 121.02(4.96) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.639 CA :: 60.614 CB :: 39.512 CG1 :: 28.622 CG2 :: 18.850 CD1 :: 13.933 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 :: 9.302 HA :: 4.384 HB :: 1.519 HG12 :: 0.980 HG13 :: 0.434 HG21 :: 0.515 HG22 :: 0.515 HG23 :: 0.515 HD11 :: -0.228 HD12 :: -0.228 HD13 :: -0.228 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 :: 132.744 Ave N Shift Values>> N :: 121.6(4.72) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.741 CA :: 61.881 CB :: 69.006 CG2 :: 20.831 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 :: 8.986 HA :: 4.998 HB :: 3.982 HG21 :: 1.249 HG22 :: 1.249 HG23 :: 1.249 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 124.033 Ave N Shift Values>> N :: 115.7(5.05) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.11 A 0.03 G 0.01 C Shift Assignments>> C :: 179.269 CA :: 54.369 CB :: 41.835 CG :: 27.672 CD1 :: 25.058 CD2 :: 23.537 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 :: 9.386 HA :: 4.928 HB2 :: 2.239 HB3 :: 1.883 HG :: 1.659 HD11 :: 0.950 HD12 :: 0.950 HD13 :: 0.950 HD21 :: 0.730 HD22 :: 0.730 HD23 :: 0.730 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.176 Ave N Shift Values>> N :: 121.98(4.07) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 E 0.18 F 0.17 N 0.16 D 0.07 I 0.05 M 0.04 L 0.02 K 0.01 C Shift Assignments>> C :: 176.053 CA :: 56.005 CB :: 37.777 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 :: 8.496 HA :: 4.387 HB2 :: 2.778 HB3 :: 2.778 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 :: 119.252 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.3 L 0.12 F 0.09 Y 0.08 K 0.03 C Shift Assignments>> C :: 177.308 CA :: 53.443 CB :: 40.107 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 :: 7.755 HA :: 4.532 HB2 :: 3.114 HB3 :: 2.584 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.530 Ave N Shift Values>> N :: 120.73(4.2) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.776 CA :: 44.832 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.141 HA2 :: 4.380 HA3 :: 3.475 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.655 Ave N Shift Values>> N :: 109.91(4.29) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.61 G 0.22 K 0.15 C Shift Assignments>> C :: 174.920 CA :: 57.830 CB :: 31.559 CG :: 28.061 CD :: 43.919 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 :: 8.091 HA :: 4.153 HB2 :: 2.033 HB3 :: 1.699 HG2 :: 1.698 HG3 :: 1.628 HD2 :: 3.284 HD3 :: 3.200 HE :: 8.117 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 :: 121.874 NE :: 85.893 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.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 E 0.46 Q 0.02 K 0.01 I 0.01 C Shift Assignments>> C :: 176.421 CA :: 54.727 CB :: 32.258 CG :: 36.452 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 :: 8.326 HA :: 5.127 HB2 :: 1.860 HB3 :: 1.627 HG2 :: 2.289 HG3 :: 2.123 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 :: 120.103 Ave N Shift Values>> N :: 120.68(3.68) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.628 CA :: 60.110 CB :: 41.251 CG1 :: 27.315 CG2 :: 18.070 CD1 :: 13.773 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 :: 9.354 HA :: 4.319 HB :: 1.611 HG12 :: 1.411 HG13 :: 1.127 HG21 :: 0.970 HG22 :: 0.970 HG23 :: 0.970 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.932 Ave N Shift Values>> N :: 121.6(4.72) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.27 E 0.2 M 0.12 R 0.03 C Shift Assignments>> C :: 174.166 CA :: 55.571 CB :: 29.610 CG :: 34.263 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 :: 8.729 HA :: 4.737 HB2 :: 2.007 HB3 :: 2.007 HG2 :: 2.342 HG3 :: 2.169 HE21 :: 7.428 HE22 :: 6.637 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.751 NE2 :: 110.980 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 L 0.25 M 0.1 G 0.03 K 0.01 C Shift Assignments>> C :: 178.445 CA :: 49.625 CB :: 22.445 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.064 HA :: 5.251 HB1 :: 1.220 HB2 :: 1.220 HB3 :: 1.220 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.101 Ave N Shift Values>> N :: 123.23(3.7) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.813 CA :: 63.651 CB :: 32.334 CG1 :: 21.778 CG2 :: 20.715 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 :: 8.502 HA :: 3.849 HB :: 2.115 HG11 :: 0.945 HG12 :: 0.945 HG13 :: 0.945 HG21 :: 0.942 HG22 :: 0.942 HG23 :: 0.942 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 :: 117.021 Ave N Shift Values>> N :: 121.02(4.96) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.13 R 0.05 D 0.04 C Shift Assignments>> C :: 175.063 CA :: 51.322 CB :: 44.315 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 :: 7.582 HA :: 4.915 HB2 :: 2.603 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 :: 115.232 Ave N Shift Values>> N :: 120.73(4.2) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.E26 1.E26 C Shift Assignments>> C :: 173.362 CA :: 61.581 CB :: 70.435 CG2 :: 21.528 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 :: 8.179 HA :: 4.136 HB :: 3.838 HG21 :: 1.349 HG22 :: 1.349 HG23 :: 1.349 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 :: 117.799 Ave N Shift Values>> N :: 115.7(5.05) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.646 CA :: 63.083 CB :: 33.147 CG :: 27.484 CD :: 51.233 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 :: 4.673 HB2 :: 2.156 HB3 :: 2.039 HG2 :: 1.701 HG3 :: 1.374 HD2 :: 3.861 HD3 :: 3.614 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.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.3 M 0.02 G 0.01 HN Overlap>> 1.T40 1.T40 C Shift Assignments>> C :: 175.708 CA :: 55.350 CB :: 34.013 CG :: 25.052 CD :: 29.065 CE :: 42.229 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 :: 8.884 HA :: 4.635 HB2 :: 1.947 HB3 :: 1.947 HG2 :: 1.581 HG3 :: 1.422 HD2 :: 1.736 HD3 :: 1.739 HE2 :: 3.017 HE3 :: 3.010 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 :: 123.676 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.727 CA :: 56.847 CB :: 39.859 CD1 :: 132.504 CD2 :: 132.504 CE1 :: 117.718 CE2 :: 117.718 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 :: 9.050 HA :: 4.838 HB2 :: 2.766 HB3 :: 2.768 HD1 :: 6.194 HD2 :: 6.194 HE1 :: 6.333 HE2 :: 6.333 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.691 Ave N Shift Values>> N :: 120.79(4.69) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.24 N 0.13 K 0.1 R 0.06 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 174.406 CA :: 52.207 CB :: 41.893 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 :: 7.902 HA :: 4.575 HB2 :: 2.686 HB3 :: 2.345 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 :: 129.213 Ave N Shift Values>> N :: 120.73(4.2) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 K 0.16 I 0.14 Q 0.1 M 0.07 C Shift Assignments>> C :: 177.944 CA :: 58.374 CB :: 29.627 CG :: 35.866 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 :: 8.482 HA :: 3.583 HB2 :: 1.979 HB3 :: 1.980 HG2 :: 2.295 HG3 :: 2.294 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.379 Ave N Shift Values>> N :: 120.68(3.68) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.26 K 0.11 M 0.04 Q 0.04 HN Overlap>> 1.T20 1.T20 C Shift Assignments>> C :: 177.719 CA :: 58.921 CB :: 29.514 CG :: 36.383 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 :: 8.151 HA :: 4.027 HB2 :: 2.057 HB3 :: 2.055 HG2 :: 2.276 HG3 :: 2.204 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 :: 117.871 Ave N Shift Values>> N :: 120.68(3.68) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.829 CA :: 58.799 CB :: 64.652 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.649 HA :: 4.489 HB2 :: 3.922 HB3 :: 3.834 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 :: 111.517 Ave N Shift Values>> N :: 116.3(3.95) 1.G28 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 :: 173.436 CA :: 46.072 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.267 HA2 :: 4.068 HA3 :: 3.836 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.550 Ave N Shift Values>> N :: 109.91(4.29) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.722 CA :: 57.530 CB :: 41.490 CD1 :: 131.658 CD2 :: 131.658 CE1 :: 131.658 CE2 :: 131.658 CZ :: 130.159 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.348 HA :: 5.032 HB2 :: 2.915 HB3 :: 2.760 HD1 :: 7.006 HD2 :: 7.006 HE1 :: 7.387 HE2 :: 7.387 HZ :: 7.406 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 :: 116.258 Ave N Shift Values>> N :: 120.69(4.18) 1.Y30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.986 CA :: 57.938 CB :: 41.180 CD1 :: 132.326 CD2 :: 132.326 CE1 :: 118.021 CE2 :: 118.021 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 :: 9.291 HA :: 5.521 HB2 :: 3.085 HB3 :: 2.882 HD1 :: 6.963 HD2 :: 6.963 HE1 :: 6.617 HE2 :: 6.617 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 :: 118.874 Ave N Shift Values>> N :: 120.79(4.69) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 E 0.44 I 0.01 C Shift Assignments>> C :: 175.710 CA :: 55.198 CB :: 33.296 CG :: 36.846 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.262 HA :: 5.433 HB2 :: 2.035 HB3 :: 2.029 HG2 :: 2.207 HG3 :: 2.094 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 :: 121.240 Ave N Shift Values>> N :: 120.68(3.68) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 171.353 CA :: 55.938 CB :: 40.003 CD1 :: 132.332 CD2 :: 132.332 CE1 :: 130.384 CE2 :: 130.384 CZ :: 129.365 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 :: 8.490 HA :: 5.114 HB2 :: 3.132 HB3 :: 3.056 HD1 :: 6.789 HD2 :: 6.789 HE1 :: 6.996 HE2 :: 6.996 HZ :: 7.030 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 :: 120.828 Ave N Shift Values>> N :: 120.69(4.18) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.31 M 0.05 G 0.01 C Shift Assignments>> C :: 176.283 CA :: 55.075 CB :: 34.656 CG :: 24.917 CD :: 29.685 CE :: 42.129 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 :: 9.212 HA :: 4.929 HB2 :: 1.734 HB3 :: 1.692 HG2 :: 1.423 HG3 :: 1.287 HD2 :: 1.660 HD3 :: 1.660 HE2 :: 2.993 HE3 :: 2.988 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.896 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 M 0.3 Q 0.07 K 0.06 I 0.02 C Shift Assignments>> C :: 177.661 CA :: 55.865 CB :: 31.163 CG :: 36.083 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 :: 8.363 HA :: 4.937 HB2 :: 2.597 HB3 :: 2.370 HG2 :: 2.608 HG3 :: 2.483 HE21 :: 8.031 HE22 :: 6.989 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 :: 122.546 NE2 :: 113.434 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.09 C Shift Assignments>> C :: 177.698 CA :: 58.170 CB :: 41.611 CG :: 27.393 CD1 :: 24.714 CD2 :: 23.349 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 :: 8.633 HA :: 3.927 HB2 :: 1.636 HB3 :: 1.641 HG :: 1.658 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.831 HD22 :: 0.831 HD23 :: 0.831 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.448 Ave N Shift Values>> N :: 121.98(4.07) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.32 L 0.1 Y 0.1 F 0.09 K 0.01 C Shift Assignments>> C :: 177.078 CA :: 53.656 CB :: 39.787 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 :: 7.933 HA :: 4.453 HB2 :: 3.030 HB3 :: 2.618 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 :: 115.628 Ave N Shift Values>> N :: 120.73(4.2) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.13 R 0.07 F 0.01 C Shift Assignments>> C :: 174.294 CA :: 45.024 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.206 HA2 :: 4.304 HA3 :: 3.642 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.414 Ave N Shift Values>> N :: 109.91(4.29) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.3 M 0.04 G 0.01 C Shift Assignments>> C :: 176.748 CA :: 57.080 CB :: 33.029 CG :: 25.044 CD :: 29.156 CE :: 42.089 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 :: 7.814 HA :: 4.201 HB2 :: 1.780 HB3 :: 1.683 HG2 :: 1.371 HG3 :: 1.268 HD2 :: 1.627 HD3 :: 1.627 HE2 :: 2.974 HE3 :: 2.974 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 :: 121.023 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.75 E 0.24 C Shift Assignments>> C :: 175.617 CA :: 55.952 CB :: 29.146 CG :: 33.642 CD :: 179.703 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 :: 8.744 HA :: 4.591 HB2 :: 2.001 HB3 :: 1.945 HG2 :: 2.251 HG3 :: 2.252 HE21 :: 7.523 HE22 :: 6.743 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 :: 126.544 NE2 :: 111.188 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.K22 1.K22 C Shift Assignments>> C :: 170.957 CA :: 61.370 CB :: 70.837 CG2 :: 21.369 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 :: 8.890 HA :: 4.381 HB :: 2.928(S) HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 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 :: 123.710 Ave N Shift Values>> N :: 115.7(5.05) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 K 0.26 G 0.23 C Shift Assignments>> C :: 175.662 CA :: 54.324 CB :: 33.458 CG :: 27.229 CD :: 43.503 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 :: 8.172 HA :: 5.674 HB2 :: 1.642 HB3 :: 1.573 HG2 :: 1.421 HG3 :: 1.421 HD2 :: 2.775 HD3 :: 2.617 HE :: 7.000 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 :: 122.900 NE :: 83.823 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.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 G 0.13 A 0.01 C Shift Assignments>> C :: 173.797 CA :: 59.489 CB :: 42.786 CG1 :: 28.150 CG2 :: 17.527 CD1 :: 13.976 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 :: 9.139 HA :: 4.732 HB :: 1.745 HG12 :: 1.627 HG13 :: 1.342 HG21 :: 1.009 HG22 :: 1.009 HG23 :: 1.009 HD11 :: 0.949 HD12 :: 0.949 HD13 :: 0.949 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.974 Ave N Shift Values>> N :: 121.6(4.72) 1.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 N 0.25 Y 0.16 F 0.15 L 0.1 K 0.01 I 0.01 E 0.01 C Shift Assignments>> C :: 176.105 CA :: 54.763 CB :: 39.516 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.114 HA :: 3.933 HB2 :: 2.680 HB3 :: 2.304 HD21 :: 6.880 HD22 :: 6.220 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 128.781 ND2 :: 112.155 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.3 M 0.05 G 0.02 C Shift Assignments>> C :: 177.396 CA :: 59.759 CB :: 32.120 CG :: 24.085 CD :: 29.456 CE :: 42.280 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 :: 8.742 HA :: 4.144 HB2 :: 1.920 HB3 :: 1.919 HG2 :: 1.621 HG3 :: 1.381 HD2 :: 1.657 HD3 :: 1.538 HE2 :: 2.945 HE3 :: 2.945 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.110 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.22 D 0.21 N 0.11 L 0.11 I 0.03 K 0.03 E 0.01 C Shift Assignments>> C :: 177.091 CA :: 55.927 CB :: 39.729 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 :: 8.951 HA :: 4.439 HB2 :: 2.685 HB3 :: 2.671 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 :: 120.134 Ave N Shift Values>> N :: 120.73(4.2) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 Q 0.28 E 0.25 K 0.15 C Shift Assignments>> C :: 175.868 CA :: 55.725 CB :: 30.764 CG :: 34.520 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 :: 7.965 HA :: 4.489 HB2 :: 2.466 HB3 :: 2.091 HG2 :: 2.520 HG3 :: 2.456 HE21 :: 7.673 HE22 :: 6.886 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.991 NE2 :: 113.663 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.117 CA :: 63.921 CB :: 33.690 CG1 :: 22.209 CG2 :: 21.762 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 :: 7.604 HA :: 3.677 HB :: 2.092 HG11 :: 0.730 HG12 :: 0.730 HG13 :: 0.730 HG21 :: 0.475 HG22 :: 0.475 HG23 :: 0.475 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 :: 121.177 Ave N Shift Values>> N :: 121.02(4.96) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 G 0.22 K 0.12 C Shift Assignments>> C :: 176.782 CA :: 57.758 CB :: 32.217 CG :: 26.786 CD :: 43.820 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.330 HA :: 4.394 HB2 :: 1.646 HB3 :: 1.482 HG2 :: 1.679 HG3 :: 1.579 HD2 :: 3.250 HD3 :: 3.103 HE :: 7.284 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 128.971 NE :: 84.120 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.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.665 CA :: 60.464 CB :: 72.596 CG2 :: 21.864 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 :: 7.713 HA :: 4.569 HB :: 4.012 HG21 :: 1.093 HG22 :: 1.093 HG23 :: 1.093 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 :: 108.581 Ave N Shift Values>> N :: 115.7(5.05) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.957 CA :: 62.302 CB :: 33.732 CG1 :: 21.703 CG2 :: 20.633 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 :: 8.198 HA :: 4.306 HB :: 1.800 HG11 :: 0.575 HG12 :: 0.575 HG13 :: 0.575 HG21 :: 0.442 HG22 :: 0.442 HG23 :: 0.442 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.664 Ave N Shift Values>> N :: 121.02(4.96) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.39 G 0.02 M 0.02 C Shift Assignments>> C :: 174.641 CA :: 54.703 CB :: 36.567 CG :: 24.712 CD :: 29.225 CE :: 42.054 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 :: 8.519 HA :: 4.738 HB2 :: 1.764 HB3 :: 1.601 HG2 :: 1.322 HG3 :: 1.321 HD2 :: 1.608 HD3 :: 1.608 HE2 :: 2.876 HE3 :: 2.876 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.245 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.24 K 0.19 F 0.09 Y 0.07 R 0.07 N 0.05 C Shift Assignments>> C :: 176.280 CA :: 54.865 CB :: 41.593 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 :: 8.616 HA :: 4.531 HB2 :: 2.693 HB3 :: 2.565 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.279 Ave N Shift Values>> N :: 120.73(4.2) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.11 G 0.04 C Shift Assignments>> C :: 177.033 CA :: 56.583 CB :: 42.573 CG :: 27.195 CD1 :: 24.551 CD2 :: 24.417 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 :: 8.159 HA :: 4.120 HB2 :: 1.568 HB3 :: 1.263 HG :: 1.442 HD11 :: 0.786 HD12 :: 0.786 HD13 :: 0.786 HD21 :: 0.787 HD22 :: 0.787 HD23 :: 0.787 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 :: 124.013 Ave N Shift Values>> N :: 121.98(4.07) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.09 A 0.02 G 0.01 C Shift Assignments>> C :: 177.431 CA :: 55.340 CB :: 41.963 CG :: 27.115 CD1 :: 24.957 CD2 :: 23.350 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 :: 8.377 HA :: 4.281 HB2 :: 1.635 HB3 :: 1.482 HG :: 1.557 HD11 :: 0.907 HD12 :: 0.907 HD13 :: 0.907 HD21 :: 0.828 HD22 :: 0.828 HD23 :: 0.828 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.832 Ave N Shift Values>> N :: 121.98(4.07) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.15 K 0.11 I 0.08 Q 0.06 C Shift Assignments>> C :: 176.540 CA :: 56.905 CB :: 30.265 CG :: 36.309 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 :: 8.097 HA :: 4.130 HB2 :: 1.925 HB3 :: 1.925 HG2 :: 2.207 HG3 :: 2.128 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 :: 120.539 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 54 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 54 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 55 #Suspicious: 0 C Shift Results: #Consistent: 246 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 389 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 59 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T40 HB = 2.928(S), Expected = 4.17, Std = 0.3700, ChiSquare = 7.8862e-04