Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.32 C 0.17 C Shift Assignments>> C :: 174.510 CA :: 53.221 CB :: 39.207 CG :: 177.129 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>> HA :: 4.766 HB2 :: 2.743 HB3 :: 2.875 HD21 :: 6.966 HD22 :: 7.622 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>> ND2 :: 113.006 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.23 L 0.13 C 0.11 F 0.05 Y 0.05 K 0.05 C Shift Assignments>> CA :: 52.755 CB :: 40.708 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 :: 8.220 HA :: 4.905 HB2 :: 2.483 HB3 :: 2.708 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 :: 121.733 Ave N Shift Values>> N :: 120.73(4.2) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.161 CA :: 62.838 CB :: 31.694 CG :: 27.837 CD :: 50.413 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 :: 4.792 HB2 :: 2.016 HB3 :: 2.203 HG2 :: 2.109 HG3 :: 2.262 HD2 :: 3.791 HD3 :: 3.808 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.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.31 C 0.19 C Shift Assignments>> C :: 174.251 CA :: 54.503 CB :: 45.018 CG :: 25.621 CD1 :: 25.338 CD2 :: 25.791 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 :: 7.447 HA :: 4.794 HB2 :: 1.466 HB3 :: 1.476 HG :: 1.624 HD11 :: 0.885 HD12 :: 0.885 HD13 :: 0.885 HD21 :: 0.863 HD22 :: 0.863 HD23 :: 0.863 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 :: 123.064 Ave N Shift Values>> N :: 121.98(4.07) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.23 C 0.2 A 0.01 HN Overlap>> 1.I90 1.I90 C Shift Assignments>> C :: 174.630 CA :: 53.658 CB :: 44.998 CG :: 26.988 CD1 :: 24.150 CD2 :: 27.019 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 :: 8.953 HA :: 5.026 HB2 :: 1.335 HB3 :: 1.852 HG :: 1.512 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 HD21 :: 0.793 HD22 :: 0.793 HD23 :: 0.793 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 :: 121.734 Ave N Shift Values>> N :: 121.98(4.07) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 H 0.3 W 0.24 Y 0.01 HN Overlap>> 1.L24 1.L24 C Shift Assignments>> C :: 173.910 CA :: 55.983 CB :: 32.794 CD2 :: 119.397 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 :: 8.863 HA :: 5.039 HB2 :: 3.063 HB3 :: 3.287 HD2 :: 6.856 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 128.669 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 174.518 CA :: 60.599 CB :: 34.432 CG1 :: 21.891 CG2 :: 22.422 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 :: 9.152 HA :: 5.124 HB :: 2.012 HG11 :: 0.821 HG12 :: 0.821 HG13 :: 0.821 HG21 :: 0.811 HG22 :: 0.811 HG23 :: 0.811 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.800 Ave N Shift Values>> N :: 121.02(4.96) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.26 E 0.18 Q 0.01 HN Overlap>> 1.C95 1.C95 C Shift Assignments>> C :: 175.629 CA :: 54.249 CB :: 32.794 CG :: 36.467 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 :: 8.932 HA :: 5.252 HB2 :: 1.926 HB3 :: 2.000 HG2 :: 2.165 HG3 :: 2.273 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 :: 126.016 Ave N Shift Values>> N :: 120.68(3.68) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 174.356 CA :: 60.276 CB :: 34.325 CG1 :: 20.758 CG2 :: 22.013 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 :: 8.594 HA :: 4.565 HB :: 1.576 HG11 :: 0.382 HG12 :: 0.382 HG13 :: 0.382 HG21 :: 0.419 HG22 :: 0.419 HG23 :: 0.419 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 :: 124.675 Ave N Shift Values>> N :: 121.02(4.96) 1.S14 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 :: 172.510 CA :: 56.711 CB :: 65.495 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.525 HA :: 4.593 HB2 :: 3.764 HB3 :: 3.803 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.993 Ave N Shift Values>> N :: 116.3(3.95) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.35 C 0.15 C Shift Assignments>> C :: 174.874 CA :: 52.975 CB :: 40.070 CG :: 176.622 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 :: 8.606 HA :: 5.312 HB2 :: 2.572 HB3 :: 2.803 HD21 :: 6.915 HD22 :: 7.284 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.244 ND2 :: 111.855 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 M 0.27 E 0.26 Q 0.02 K 0.01 C Shift Assignments>> C :: 175.388 CA :: 55.392 CB :: 32.311 CG :: 36.104 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 :: 8.553 HA :: 4.611 HB2 :: 1.910 HB3 :: 2.103 HG2 :: 2.215 HG3 :: 2.249 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 :: 123.648 Ave N Shift Values>> N :: 120.68(3.68) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.2 F 0.19 C 0.18 D 0.16 N 0.08 L 0.08 I 0.03 K 0.02 E 0.01 C Shift Assignments>> C :: 176.118 CA :: 56.135 CB :: 39.593 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 :: 9.147 HA :: 4.303 HB2 :: 2.645 HB3 :: 2.899 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 :: 123.207 Ave N Shift Values>> N :: 120.73(4.2) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 D 0.32 N 0.3 E 0.03 C Shift Assignments>> C :: 173.648 CA :: 54.014 CB :: 38.155 CG :: 178.644 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 :: 8.843 HA :: 4.660 HB2 :: 2.929 HB3 :: 3.246 HD21 :: 6.974 HD22 :: 7.695 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 :: 115.204 ND2 :: 112.659 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.55 T 0.44 C Shift Assignments>> C :: 173.599 CA :: 57.805 CB :: 67.046 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.825 HA :: 5.003 HB2 :: 3.804 HB3 :: 3.965 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 :: 111.733 Ave N Shift Values>> N :: 116.3(3.95) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.33 C 0.2 A 0.01 C Shift Assignments>> C :: 174.266 CA :: 54.018 CB :: 44.899 CG :: 27.099 CD1 :: 23.883 CD2 :: 26.030 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 :: 9.253 HA :: 4.850 HB2 :: 0.913 HB3 :: 1.784 HG :: 1.583 HD11 :: 0.686 HD12 :: 0.686 HD13 :: 0.686 HD21 :: 0.735 HD22 :: 0.735 HD23 :: 0.735 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 :: 119.526 Ave N Shift Values>> N :: 121.98(4.07) 1.H21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 H 0.42 W 0.03 C Shift Assignments>> C :: 172.653 CA :: 51.204 CB :: 30.760 CD2 :: 116.728 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 :: 8.700 HA :: 4.704 HB2 :: 2.259 HB3 :: 3.082 HD2 :: 5.656 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 :: 122.510 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.3 C 0.29 C Shift Assignments>> C :: 174.876 CA :: 55.708 CB :: 41.751 CD1 :: 131.395 CE1 :: 128.736 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 :: 8.949 HA :: 5.038 HB2 :: 2.104 HB3 :: 2.288 HD1 :: 6.531 HD2 :: 6.531 HE1 :: 5.675 HE2 :: 5.675 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.343 Ave N Shift Values>> N :: 120.69(4.18) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 173.881 CA :: 61.442 CB :: 39.389 CG1 :: 27.224 CG2 :: 17.528 CD1 :: 13.196 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 :: 8.759 HA :: 4.269 HB :: 1.492 HG12 :: 0.455 HG13 :: 0.903 HG21 :: 0.368 HG22 :: 0.368 HG23 :: 0.368 HD11 :: 0.489 HD12 :: 0.489 HD13 :: 0.489 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 :: 120.477 Ave N Shift Values>> N :: 121.6(4.72) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.17 G 0.16 K 0.04 A 0.04 HN Overlap>> 1.H10 1.H10 C Shift Assignments>> C :: 175.616 CA :: 54.268 CB :: 43.303 CG :: 29.749 CD1 :: 23.520 CD2 :: 25.950 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 :: 8.973 HA :: 4.968 HB2 :: 1.338 HB3 :: 1.704 HG :: 1.476 HD11 :: 0.339 HD12 :: 0.339 HD13 :: 0.339 HD21 :: 0.457 HD22 :: 0.457 HD23 :: 0.457 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 :: 128.655 Ave N Shift Values>> N :: 121.98(4.07) 1.Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 HN Overlap>> 1.V92 1.V92 C Shift Assignments>> C :: 176.007 CA :: 55.833 CB :: 39.930 CD1 :: 133.005 CE1 :: 118.004 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 :: 9.475 HA :: 5.115 HB2 :: 3.024 HB3 :: 3.062 HD1 :: 7.021 HD2 :: 7.021 HE1 :: 6.616 HE2 :: 6.616 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 :: 119.541 Ave N Shift Values>> N :: 120.79(4.69) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.22 Y 0.09 D 0.08 F 0.05 E 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 174.491 CA :: 53.501 CB :: 37.675 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 :: 8.979 HA :: 4.813 HB2 :: 2.258 HB3 :: 3.498 HD21 :: 6.608 HD22 :: 8.268 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.002 ND2 :: 111.776 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.43 M 0.03 C Shift Assignments>> C :: 177.631 CA :: 55.478 CB :: 31.253 CG :: 25.325 CD :: 29.207 CE :: 41.922 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 :: 8.009 HA :: 4.793 HB2 :: 2.029 HB3 :: 2.301 HG2 :: 1.253 HG3 :: 1.313 HD2 :: 1.566 HD3 :: 1.630 HE2 :: 2.712 HE3 :: 2.800 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 :: 129.830 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 61.806 CB :: 69.874 CG2 :: 21.708 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 :: 7.707 HB :: 4.411 HG1 :: 6.052 HG21 :: 1.137 HG22 :: 1.137 HG23 :: 1.137 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 :: 109.768 Ave N Shift Values>> N :: 115.7(5.05) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.45 E 0.01 C Shift Assignments>> CB :: 38.740 CG :: 178.003 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 :: 8.422 HB2 :: 2.891 HB3 :: 3.021 HD21 :: 7.014 HD22 :: 7.603 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 :: 112.948 ND2 :: 112.846 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.38 C Shift Assignments>> C :: 174.143 CA :: 59.707 CB :: 41.709 CG1 :: 26.220 CG2 :: 17.975 CD1 :: 13.603 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 :: 8.606 HA :: 4.498 HB :: 1.818 HG12 :: 1.045 HG13 :: 1.368 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 112.207 Ave N Shift Values>> N :: 121.6(4.72) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 176.877 CA :: 61.595 CB :: 38.928 CG1 :: 28.840 CG2 :: 17.896 CD1 :: 13.632 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 :: 8.070 HA :: 3.793 HB :: 1.624 HG12 :: 1.059 HG13 :: 1.640 HG21 :: 0.658 HG22 :: 0.658 HG23 :: 0.658 HD11 :: 0.894 HD12 :: 0.894 HD13 :: 0.894 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.376 Ave N Shift Values>> N :: 121.6(4.72) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.48 A 0.01 C Shift Assignments>> CA :: 58.097 CB :: 37.877 CG1 :: 28.010 CG2 :: 16.821 CD1 :: 12.775 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 :: 8.374 HA :: 4.309 HB :: 1.907 HG12 :: 1.153 HG13 :: 1.549 HG21 :: 0.987 HG22 :: 0.987 HG23 :: 0.987 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 130.793 Ave N Shift Values>> N :: 121.6(4.72) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 176.288 CA :: 62.317 CB :: 33.026 CG :: 27.089 CD :: 50.883 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 :: 4.442 HB2 :: 2.091 HB3 :: 2.373 HG2 :: 1.816 HG3 :: 2.038 HD2 :: 3.427 HD3 :: 3.935 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.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.21 C 0.11 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.352 CA :: 44.652 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.449 HA2 :: 3.473 HA3 :: 3.814 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.284 Ave N Shift Values>> N :: 109.91(4.29) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 N 0.19 E 0.14 D 0.12 Q 0.01 C Shift Assignments>> C :: 175.223 CA :: 54.558 CB :: 36.904 CG :: 178.848 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 :: 8.762 HA :: 4.225 HB2 :: 3.013 HB3 :: 3.038 HD21 :: 6.939 HD22 :: 7.476 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 :: 112.632 ND2 :: 114.339 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 C 0.17 I 0.16 E 0.12 V 0.09 H 0.07 Q 0.06 K 0.06 P 0.02 M 0.02 C Shift Assignments>> C :: 175.648 CA :: 60.316 CB :: 30.036 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.978 HA :: 4.920 HB2 :: 2.604 HB3 :: 3.298 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.122 Ave N Shift Values>> N :: 119.95(4.79) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 171.852 CA :: 61.088 CB :: 71.008 CG2 :: 22.994 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 :: 9.487 HA :: 4.827 HB :: 3.927 HG21 :: 1.129 HG22 :: 1.129 HG23 :: 1.129 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 :: 114.787 Ave N Shift Values>> N :: 115.7(5.05) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 C 0.29 Y 0.24 C Shift Assignments>> C :: 173.996 CA :: 56.316 CB :: 40.766 CD1 :: 131.297 CE1 :: 129.638 CZ :: 128.119 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 :: 9.151 HA :: 5.280 HB2 :: 2.887 HB3 :: 3.090 HD1 :: 6.713 HD2 :: 6.713 HE1 :: 6.106 HE2 :: 6.106 HZ :: 6.665 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 :: 126.352 Ave N Shift Values>> N :: 120.69(4.18) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.2 E 0.1 C Shift Assignments>> C :: 175.016 CA :: 53.778 CB :: 33.601 CG :: 36.653 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 :: 8.901 HA :: 5.465 HB2 :: 1.581 HB3 :: 1.704 HG2 :: 1.906 HG3 :: 2.043 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 :: 126.682 Ave N Shift Values>> N :: 120.68(3.68) 1.F40 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.34 C 0.22 C Shift Assignments>> C :: 173.334 CA :: 54.732 CB :: 41.192 CD1 :: 132.185 CE1 :: 130.316 CE2 :: 130.562 CZ :: 129.260 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 :: 8.980 HA :: 5.931 HB2 :: 2.874 HB3 :: 2.956 HD1 :: 6.830 HD2 :: 6.830 HE1 :: 6.544 HE2 :: 6.557 HZ :: 5.658 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 :: 118.606 Ave N Shift Values>> N :: 120.69(4.18) SRO Rule Breaks>> (HZ > HA : 0.9931) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 172.862 CA :: 57.040 CB :: 66.126 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.659 HA :: 5.001 HB2 :: 3.759 HB3 :: 3.800 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.493 Ave N Shift Values>> N :: 116.3(3.95) 1.S42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.887 CA :: 56.358 CB :: 65.084 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.072 HA :: 4.200 HB2 :: 2.777(S) HB3 :: 3.718 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.732 Ave N Shift Values>> N :: 116.3(3.95) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.38 E 0.22 C Shift Assignments>> C :: 176.625 CA :: 57.130 CB :: 29.407 CG :: 33.793 CD :: 180.474 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 :: 8.588 HA :: 4.324 HB2 :: 2.105 HB3 :: 2.167 HG2 :: 2.406 HG3 :: 2.430 HE21 :: 6.872 HE22 :: 7.539 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 :: 118.414 NE2 :: 112.101 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 175.749 CA :: 61.442 CB :: 38.592 CG1 :: 26.944 CG2 :: 17.710 CD1 :: 13.842 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.701 HA :: 4.374 HB :: 2.036 HG12 :: 1.086 HG13 :: 1.251 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 HD11 :: 0.868 HD12 :: 0.868 HD13 :: 0.868 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 112.350 Ave N Shift Values>> N :: 121.6(4.72) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.133 CA :: 58.726 CB :: 64.355 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.600 HA :: 4.277 HB2 :: 3.892 HB3 :: 4.193 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 :: 115.228 Ave N Shift Values>> N :: 116.3(3.95) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 M 0.15 K 0.06 Q 0.05 I 0.02 C Shift Assignments>> C :: 173.978 CA :: 55.700 CB :: 30.637 CG :: 36.174 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 :: 7.713 HA :: 4.236 HB2 :: 1.673 HB3 :: 1.757 HG2 :: 1.839 HG3 :: 1.883 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 :: 119.979 Ave N Shift Values>> N :: 120.68(3.68) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 174.880 CA :: 62.293 CB :: 32.534 CG1 :: 20.930 CG2 :: 21.096 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 :: 8.068 HA :: 3.798 HB :: 1.740 HG11 :: 0.756 HG12 :: 0.756 HG13 :: 0.756 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 :: 122.088 Ave N Shift Values>> N :: 121.02(4.96) 1.F48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.36 F 0.36 C 0.27 C Shift Assignments>> C :: 174.373 CA :: 56.300 CB :: 39.192 CD1 :: 132.338 CE1 :: 130.716 CZ :: 129.088 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 :: 8.239 HA :: 4.664 HB2 :: 1.005(S) HB3 :: 2.029 HD1 :: 7.056 HD2 :: 7.056 HE1 :: 7.408 HE2 :: 7.408 HZ :: 7.303 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 :: 130.181 Ave N Shift Values>> N :: 120.69(4.18) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.891 CA :: 56.859 CB :: 65.642 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.489 HA :: 5.557 HB2 :: 3.591 HB3 :: 3.689 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.860 Ave N Shift Values>> N :: 116.3(3.95) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.38 G 0.06 C Shift Assignments>> C :: 176.245 CA :: 60.729 CB :: 42.513 CG1 :: 27.209 CG2 :: 18.849 CD1 :: 16.080 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 :: 9.534 HA :: 4.621 HB :: 2.012 HG12 :: 1.590 HG13 :: 1.987 HG21 :: 1.279 HG22 :: 1.279 HG23 :: 1.279 HD11 :: 0.980 HD12 :: 0.980 HD13 :: 0.980 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 :: 123.747 Ave N Shift Values>> N :: 121.6(4.72) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.46 M 0.03 G 0.01 C Shift Assignments>> C :: 177.416 CA :: 57.949 CB :: 31.976 CG :: 25.265 CD :: 29.231 CE :: 42.164 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 :: 9.113 HA :: 4.356 HB2 :: 1.929 HB3 :: 2.042 HG2 :: 1.518 HG3 :: 1.716 HD2 :: 1.747 HD3 :: 1.769 HE2 :: 3.042 HE3 :: 3.059 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 :: 127.813 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.46 C Shift Assignments>> C :: 176.604 CA :: 58.117 CB :: 33.684 CG :: 32.722 CE :: 15.741 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 :: 8.400 HA :: 4.171 HB2 :: 2.275 HB3 :: 2.307 HG2 :: 2.365 HG3 :: 2.455 HE1 :: 1.871 HE2 :: 1.871 HE3 :: 1.871 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 :: 122.494 Ave N Shift Values>> N :: 120.1(3.88) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 C 0.1 F 0.01 D 0.01 Y 0.01 HN Overlap>> 1.G61 1.G61 C Shift Assignments>> CA :: 44.837 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.379 HA2 :: 3.951 HA3 :: 4.635 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.201 Ave N Shift Values>> N :: 109.91(4.29) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 176.453 CA :: 64.245 CB :: 32.523 CG :: 26.178 CD :: 49.713 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 :: 4.349 HB2 :: 1.807 HB3 :: 2.157 HG2 :: 1.256 HG3 :: 1.956 HD2 :: 3.508 HD3 :: 3.664 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.H55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 C 0.32 W 0.31 C Shift Assignments>> C :: 175.633 CA :: 55.943 CB :: 31.391 CD2 :: 119.767 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 :: 7.939 HA :: 4.802 HB2 :: 3.083 HB3 :: 3.234 HD2 :: 7.128 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 :: 119.195 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.3 K 0.12 Q 0.11 M 0.11 I 0.02 C Shift Assignments>> C :: 176.697 CA :: 55.855 CB :: 30.026 CG :: 35.656 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 :: 8.832 HA :: 4.303 HB2 :: 1.888 HB3 :: 1.998 HG2 :: 2.168 HG3 :: 2.261 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.491 Ave N Shift Values>> N :: 120.68(3.68) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.214 CA :: 61.211 CB :: 38.566 CG1 :: 26.655 CG2 :: 17.611 CD1 :: 14.377 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 :: 8.941 HA :: 4.348 HB :: 1.790 HG12 :: 0.870 HG13 :: 1.671 HG21 :: 0.862 HG22 :: 0.862 HG23 :: 0.862 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 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 :: 121.453 Ave N Shift Values>> N :: 121.6(4.72) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.504 CA :: 44.822 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.805 HA2 :: 3.827 HA3 :: 4.117 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.842 Ave N Shift Values>> N :: 109.91(4.29) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> CA :: 64.259 CB :: 37.178 CG1 :: 28.219 CG2 :: 17.537 CD1 :: 12.557 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 :: 8.567 HA :: 3.607 HB :: 1.685 HG12 :: 0.995 HG13 :: 1.421 HG21 :: 0.989 HG22 :: 0.989 HG23 :: 0.989 HD11 :: 0.726 HD12 :: 0.726 HD13 :: 0.726 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.853 Ave N Shift Values>> N :: 121.6(4.72) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 K 0.33 G 0.02 C Shift Assignments>> C :: 175.515 CA :: 59.105 CB :: 29.872 CG :: 26.436 CD :: 29.323 CE :: 42.202 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 :: 8.862 HA :: 3.874 HB2 :: 2.145 HB3 :: 2.237 HG2 :: 1.437 HG3 :: 1.547 HD2 :: 1.719 HD3 :: 1.784 HE2 :: 3.010 HE3 :: 3.024 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.852 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.21 C 0.11 F 0.02 D 0.01 Y 0.01 HN Overlap>> 1.G53 1.G53 C Shift Assignments>> C :: 171.955 CA :: 44.632 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.398 HA2 :: 3.595 HA3 :: 4.266 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.144 Ave N Shift Values>> N :: 109.91(4.29) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 Q 0.18 E 0.06 C Shift Assignments>> C :: 175.015 CA :: 53.520 CB :: 33.465 CG :: 33.874 CD :: 180.091 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 :: 8.407 HA :: 5.664 HB2 :: 1.768 HB3 :: 1.931 HG2 :: 2.079 HG3 :: 2.118 HE21 :: 6.797 HE22 :: 7.109 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.023 NE2 :: 110.896 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 K 0.31 G 0.03 C Shift Assignments>> C :: 173.253 CA :: 54.321 CB :: 36.787 CG :: 24.649 CD :: 28.438 CE :: 42.295 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 :: 8.691 HA :: 4.696 HB2 :: 1.610 HB3 :: 1.718 HG2 :: 1.343 HG3 :: 1.387 HD2 :: 1.837 HD3 :: 1.962 HE2 :: 3.110 HE3 :: 3.238 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 :: 122.785 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 M 0.18 E 0.17 C Shift Assignments>> C :: 174.762 CA :: 54.715 CB :: 32.920 CG :: 37.266 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 :: 8.778 HA :: 5.253 HB2 :: 1.704 HB3 :: 2.010 HG2 :: 2.102 HG3 :: 2.269 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.671 Ave N Shift Values>> N :: 120.68(3.68) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 C 0.36 L 0.11 A 0.04 HN Overlap>> 1.K94 1.K94 C Shift Assignments>> C :: 175.002 CA :: 52.867 CB :: 46.823 CG :: 26.637 CD1 :: 23.846 CD2 :: 26.872 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 :: 8.940 HA :: 4.984 HB2 :: 1.396 HB3 :: 1.638 HG :: 1.274 HD11 :: 0.994 HD12 :: 0.994 HD13 :: 0.994 HD21 :: 0.314 HD22 :: 0.314 HD23 :: 0.314 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.177 Ave N Shift Values>> N :: 121.98(4.07) 1.W66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 W 0.45 C Shift Assignments>> C :: 174.920 CA :: 57.001 CB :: 33.532 CD1 :: 126.673 CE3 :: 120.474 CZ2 :: 113.736 CZ3 :: 121.710 CH2 :: 124.018 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.902 HA :: 5.681 HB2 :: 3.096 HB3 :: 3.141 HD1 :: 7.160 HE3 :: 7.605 HZ2 :: 6.997 HZ3 :: 6.901 HH2 :: 6.824 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 :: 121.269 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 C 0.23 L 0.23 F 0.06 Y 0.04 K 0.01 D 0.01 C Shift Assignments>> C :: 171.664 CA :: 57.997 CB :: 44.402 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 :: 9.304 HA :: 4.884 HB2 :: 3.081 HB3 :: 3.228 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.777 Ave N Shift Values>> N :: 120.69(4.18) 1.F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.34 C 0.24 G 0.01 C Shift Assignments>> CA :: 54.160 CB :: 41.841 CD1 :: 132.566 CE1 :: 131.396 CZ :: 129.866 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 :: 7.569 HA :: 4.768 HB2 :: 2.879 HB3 :: 2.894 HD1 :: 7.311 HD2 :: 7.311 HE1 :: 7.362 HE2 :: 7.362 HZ :: 7.262 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 :: 127.435 Ave N Shift Values>> N :: 120.69(4.18) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.85 P 0.13 G 0.01 C Shift Assignments>> C :: 174.006 CA :: 62.457 CB :: 34.388 CG :: 24.349 CD :: 49.409 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 :: 4.171 HB2 :: 1.869 HB3 :: 2.131 HG2 :: 1.740 HG3 :: 1.818 HD2 :: 3.268 HD3 :: 3.426 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.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.737 CA :: 59.105 CB :: 63.581 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.404 HA :: 4.010 HB2 :: 3.602 HB3 :: 3.622 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 :: 108.009 Ave N Shift Values>> N :: 116.3(3.95) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 G 0.38 C 0.15 A 0.06 C Shift Assignments>> CA :: 52.085 CB :: 44.135 CG :: 26.935 CD1 :: 23.072 CD2 :: 25.520 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 :: 6.302 HA :: 4.756 HB2 :: 1.183 HB3 :: 1.396 HG :: 1.658 HD11 :: 0.908 HD12 :: 0.908 HD13 :: 0.908 HD21 :: 0.569 HD22 :: 0.569 HD23 :: 0.569 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 :: 121.509 Ave N Shift Values>> N :: 121.98(4.07) 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 175.372 CA :: 63.227 CB :: 31.709 CG :: 27.749 CD :: 50.070 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 :: 4.322 HB2 :: 1.877 HB3 :: 2.309 HG2 :: 1.963 HG3 :: 2.159 HD2 :: 3.548 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.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.54 C 0.42 A 0.02 S 0.01 C Shift Assignments>> CA :: 57.699 CB :: 68.805 CG2 :: 22.659 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 :: 7.734 HA :: 4.253 HB :: 4.371 HG21 :: 0.856 HG22 :: 0.856 HG23 :: 0.856 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 :: 109.997 Ave N Shift Values>> N :: 115.7(5.05) 1.P74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.9 P 0.08 C Shift Assignments>> C :: 177.220 CA :: 61.683 CB :: 35.109 CG :: 24.806 CD :: 50.936 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 :: 4.604 HB2 :: 1.800 HB3 :: 1.989 HG2 :: 1.629 HG3 :: 1.805 HD2 :: 3.513 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.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 A 0.31 L 0.08 C Shift Assignments>> C :: 176.653 CA :: 52.824 CB :: 38.118 CG :: 25.959 CD1 :: 22.306 CD2 :: 26.502 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 :: 9.401 HA :: 4.211 HB2 :: 0.583 HB3 :: 1.450 HG :: 1.249 HD11 :: 0.174 HD12 :: 0.174 HD13 :: 0.174 HD21 :: 0.368 HD22 :: 0.368 HD23 :: 0.368 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 :: 128.050 Ave N Shift Values>> N :: 121.98(4.07) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.250 CA :: 60.549 CB :: 63.261 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.921 HA :: 4.171 HB2 :: 3.699 HB3 :: 3.925 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 :: 116.102 Ave N Shift Values>> N :: 116.3(3.95) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 N 0.22 D 0.19 E 0.08 C Shift Assignments>> C :: 174.996 CA :: 55.524 CB :: 37.630 CG :: 178.370 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 :: 8.759 HA :: 4.461 HB2 :: 3.146 HB3 :: 3.182 HD21 :: 7.074 HD22 :: 7.600 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.397 ND2 :: 114.323 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 176.498 CA :: 58.406 CB :: 38.803 CD1 :: 132.868 CE1 :: 118.781 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 :: 8.396 HA :: 4.895 HB2 :: 2.608 HB3 :: 3.497 HD1 :: 7.055 HD2 :: 7.055 HE1 :: 6.960 HE2 :: 6.960 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 :: 119.444 Ave N Shift Values>> N :: 120.79(4.69) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.023 CA :: 63.334 CB :: 69.928 CG2 :: 21.430 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 :: 9.123 HA :: 4.745 HB :: 4.038 HG21 :: 1.166 HG22 :: 1.166 HG23 :: 1.166 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 :: 118.448 Ave N Shift Values>> N :: 115.7(5.05) 1.M80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 C 0.46 M 0.05 C Shift Assignments>> C :: 173.495 CA :: 54.563 CB :: 35.596 CG :: 35.526 CE :: 19.867 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 :: 9.051 HA :: 5.266 HB2 :: 1.591 HB3 :: 1.735 HG2 :: 2.389 HG3 :: 2.495 HE1 :: 1.866 HE2 :: 1.866 HE3 :: 1.866 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 :: 126.876 Ave N Shift Values>> N :: 120.1(3.88) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 K 0.15 G 0.02 C Shift Assignments>> C :: 174.668 CA :: 54.405 CB :: 38.045 CG :: 25.063 CD :: 29.382 CE :: 41.920 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 :: 8.985 HA :: 5.212 HB2 :: 1.498 HB3 :: 1.787 HG2 :: 1.195 HG3 :: 1.310 HD2 :: 1.556 HD3 :: 1.625 HE3 :: 2.814 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 :: 118.157 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 174.498 CA :: 61.950 CB :: 33.298 CG1 :: 21.348 CG2 :: 22.218 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 :: 8.292 HA :: 4.843 HB :: 1.837 HG11 :: 0.878 HG12 :: 0.878 HG13 :: 0.878 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 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 :: 118.653 Ave N Shift Values>> N :: 121.02(4.96) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 176.386 CA :: 60.374 CB :: 33.831 CG1 :: 20.761 CG2 :: 20.805 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 :: 9.226 HA :: 4.755 HB :: 1.946 HG11 :: 0.863 HG12 :: 0.863 HG13 :: 0.863 HG21 :: 0.720 HG22 :: 0.720 HG23 :: 0.720 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 :: 129.774 Ave N Shift Values>> N :: 121.02(4.96) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.16 D 0.16 Y 0.05 F 0.04 L 0.02 C Shift Assignments>> C :: 178.343 CA :: 52.207 CB :: 38.607 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 :: 8.962 HA :: 5.466 HB2 :: 2.688 HB3 :: 3.737 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.912 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Q 0.39 E 0.1 C Shift Assignments>> C :: 176.387 CA :: 58.270 CB :: 28.152 CG :: 32.904 CD :: 180.550 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.269 HA :: 4.254 HB2 :: 2.233 HB3 :: 2.277 HG2 :: 2.298 HG3 :: 2.437 HE21 :: 6.791 HE22 :: 7.649 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 :: 118.583 NE2 :: 111.513 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.23 K 0.16 C 0.11 F 0.08 N 0.06 Y 0.06 C Shift Assignments>> C :: 176.263 CA :: 54.458 CB :: 41.540 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 :: 7.471 HA :: 4.804 HB2 :: 2.510 HB3 :: 2.940 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 :: 117.792 Ave N Shift Values>> N :: 120.73(4.2) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.08 C 0.08 C Shift Assignments>> C :: 174.488 CA :: 45.427 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.269 HA2 :: 3.546 HA3 :: 4.206 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.646 Ave N Shift Values>> N :: 109.91(4.29) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 M 0.14 K 0.1 Q 0.09 I 0.01 C Shift Assignments>> C :: 176.260 CA :: 54.779 CB :: 30.240 CG :: 35.808 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 :: 7.964 HA :: 4.400 HB2 :: 1.878 HB3 :: 1.933 HG2 :: 2.044 HG3 :: 2.168 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.792 Ave N Shift Values>> N :: 120.68(3.68) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 174.614 CA :: 64.407 CB :: 68.643 CG2 :: 22.563 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 :: 9.079 HA :: 4.233 HB :: 4.098 HG21 :: 1.047 HG22 :: 1.047 HG23 :: 1.047 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 :: 123.410 Ave N Shift Values>> N :: 115.7(5.05) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 HN Overlap>> 1.L9 1.L9 C Shift Assignments>> C :: 175.898 CA :: 61.760 CB :: 39.596 CG1 :: 26.590 CG2 :: 18.242 CD1 :: 14.071 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 :: 8.938 HA :: 4.571 HB :: 1.940 HG12 :: 1.045 HG13 :: 1.354 HG21 :: 0.979 HG22 :: 0.979 HG23 :: 0.979 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 :: 121.807 Ave N Shift Values>> N :: 121.6(4.72) 1.L91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 A 0.05 G 0.02 L 0.01 C Shift Assignments>> C :: 174.483 CA :: 54.184 CB :: 49.046(S) CG :: 27.362 CD1 :: 23.844 CD2 :: 27.204 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 :: 7.513 HA :: 4.808 HB2 :: 1.250 HB3 :: 1.457 HG :: 1.591 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.812 HD22 :: 0.812 HD23 :: 0.812 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.612 Ave N Shift Values>> N :: 121.98(4.07) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.24 I 0.03 HN Overlap>> 1.Y25 1.Y25 C Shift Assignments>> C :: 173.600 CA :: 60.098 CB :: 35.494 CG1 :: 18.891 CG2 :: 21.564 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 :: 9.508 HA :: 5.492 HB :: 1.979 HG11 :: 0.914 HG12 :: 0.914 HG13 :: 0.914 HG21 :: 1.036 HG22 :: 1.036 HG23 :: 1.036 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 :: 119.624 Ave N Shift Values>> N :: 121.02(4.96) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.08 L 0.08 C Shift Assignments>> C :: 170.379 CA :: 45.579 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.042 HA2 :: 4.346 HA3 :: 4.487 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.438 Ave N Shift Values>> N :: 109.91(4.29) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.45 M 0.02 G 0.01 HN Overlap>> 1.L65 1.L65 C Shift Assignments>> C :: 175.309 CA :: 55.133 CB :: 35.623 CG :: 24.653 CD :: 29.380 CE :: 41.984 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.868 HA :: 5.195 HB2 :: 1.707 HB3 :: 1.787 HG2 :: 1.363 HG3 :: 1.417 HD2 :: 1.640 HD3 :: 1.676 HE2 :: 2.931 HE3 :: 2.968 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 :: 120.208 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 C 0.14 E 0.14 K 0.12 I 0.12 Q 0.11 H 0.1 M 0.02 V 0.02 L 0.01 HN Overlap>> 1.E12 1.E12 C Shift Assignments>> C :: 174.465 CA :: 59.146 CB :: 29.131 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.954 HA :: 4.449 HB2 :: 2.689 HB3 :: 3.427 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 126.110 Ave N Shift Values>> N :: 119.95(4.79) 1.A96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> A 0.81 M 0.16 C 0.01 C Shift Assignments>> C :: 175.867 CA :: 51.636 CB :: 18.192 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.113 HA :: 4.950 HB1 :: 1.507 HB2 :: 1.507 HB3 :: 1.507 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 136.057(S) Ave N Shift Values>> N :: 123.23(3.7) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.21 C 0.13 L 0.12 F 0.09 Y 0.08 K 0.03 C Shift Assignments>> C :: 174.628 CA :: 53.938 CB :: 40.188 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 :: 8.115 HA :: 4.591 HB2 :: 2.696 HB3 :: 2.781 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.402 Ave N Shift Values>> N :: 120.73(4.2) 1.S98 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 :: 172.836 CA :: 56.388 CB :: 65.287 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.351 HA :: 4.743 HB2 :: 3.783 HB3 :: 4.054 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 :: 111.433 Ave N Shift Values>> N :: 116.3(3.95) 1.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.22 C 0.22 C Shift Assignments>> C :: 173.134 CA :: 53.251 CB :: 38.296 CG :: 177.063 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 :: 8.572 HA :: 4.796 HB2 :: 2.724 HB3 :: 3.744 HD21 :: 6.547 HD22 :: 7.311 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.202 ND2 :: 110.578 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.31 M 0.22 Q 0.01 K 0.01 I 0.01 C Shift Assignments>> C :: 175.200 CA :: 55.417 CB :: 31.869 CG :: 36.511 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 :: 7.970 HA :: 5.280 HB2 :: 1.949 HB3 :: 1.970 HG2 :: 2.185 HG3 :: 2.242 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 :: 118.223 Ave N Shift Values>> N :: 120.68(3.68) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.07 I 0.07 G 0.07 C Shift Assignments>> C :: 174.507 CA :: 60.858 CB :: 42.511 CG1 :: 30.091 CG2 :: 20.376 CD1 :: 16.668 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.263 HA :: 4.522 HB :: 1.524 HG12 :: 1.120 HG13 :: 1.528 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 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 :: 124.725 Ave N Shift Values>> N :: 121.6(4.72) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 173.620 CA :: 60.324 CB :: 70.638 CG2 :: 22.707 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 :: 8.483 HA :: 5.065 HB :: 3.997 HG21 :: 1.074 HG22 :: 1.074 HG23 :: 1.074 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 :: 118.022 Ave N Shift Values>> N :: 115.7(5.05) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 C 0.42 L 0.13 C Shift Assignments>> C :: 174.784 CA :: 54.401 CB :: 44.508 CG :: 29.601 CD1 :: 25.309 CD2 :: 25.774 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 :: 9.344 HA :: 4.779 HB2 :: 1.468 HB3 :: 1.596 HG :: 1.522 HD11 :: 0.706 HD12 :: 0.706 HD13 :: 0.706 HD21 :: 0.575 HD22 :: 0.575 HD23 :: 0.575 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 :: 125.104 Ave N Shift Values>> N :: 121.98(4.07) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 K 0.2 G 0.02 M 0.01 C Shift Assignments>> C :: 176.170 CA :: 54.444 CB :: 37.491 CG :: 24.728 CD :: 29.630 CE :: 42.095 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 :: 8.397 HA :: 4.907 HB2 :: 1.839 HB3 :: 2.003 HG2 :: 1.388 HG3 :: 1.595 HD2 :: 1.696 HD3 :: 1.728 HE2 :: 2.967 HE3 :: 2.989 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.693 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.285 CB :: 63.148 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.775 HA :: 4.944 HB2 :: 3.970 HB3 :: 3.988 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 :: 117.693 Ave N Shift Values>> N :: 116.3(3.95) 1.P106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 175.507 CA :: 63.389 CB :: 31.966 CG :: 27.018 CD :: 50.837 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 :: 4.436 HB2 :: 2.057 HB3 :: 2.151 HG2 :: 1.783 HG3 :: 2.003 HD2 :: 3.565 HD3 :: 3.761 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.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.27 G 0.14 K 0.01 C Shift Assignments>> CA :: 56.819 CB :: 43.554 CD1 :: 23.597 CD2 :: 25.209 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 :: 7.718 HA :: 4.191 HB2 :: 1.575 HB3 :: 1.595 HD11 :: 0.899 HD12 :: 0.899 HD13 :: 0.899 HD21 :: 0.935 HD22 :: 0.935 HD23 :: 0.935 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 :: 126.937 Ave N Shift Values>> N :: 121.98(4.07) ########################################################################### Overall Results: #Consistent: 102 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 103 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 106 #Suspicious: 1 C Shift Results: #Consistent: 454 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 740 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 105 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.F40 SRO Rule Break>> HZ > HA : 0.993127147766323 1.S42 HB2 = 2.777(S), Expected = 3.88, Std = 0.2900, ChiSquare = 1.4270e-04 1.F48 HB2 = 1.005(S), Expected = 2.99, Std = 0.3700, ChiSquare = 8.1010e-08 1.L91 CB = 49.046(S), Expected = 42.37, Std = 1.8600, ChiSquare = 3.3163e-04 1.A96 N = 136.057(S), Expected = 123.23, Std = 3.7000, ChiSquare = 5.2678e-04