Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.Y1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V2 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 :: 174.807 CA :: 61.947 CB :: 33.175 CG1 :: 21.240 CG2 :: 21.612 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 :: 7.944 HA :: 4.035 HB :: 1.899 HG11 :: 0.811 HG12 :: 0.811 HG13 :: 0.811 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.960 Ave N Shift Values>> N :: 121.02(4.96) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 M 0.11 K 0.08 Q 0.06 I 0.03 C Shift Assignments>> C :: 175.888 CA :: 56.487 CB :: 30.349 CG :: 36.099 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 :: 8.465 HA :: 4.168 HB2 :: 1.865 HB3 :: 1.907 HG2 :: 2.170 HG3 :: 2.170 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 :: 125.549 Ave N Shift Values>> N :: 120.68(3.68) 1.F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 HN Overlap>> 2.V3 2.V3 C Shift Assignments>> C :: 175.550 CA :: 57.827 CB :: 39.623 CD1 :: 131.980 CD2 :: 131.980 CE1 :: 129.997 CE2 :: 129.997 CZ :: 129.462 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 :: 8.330 HA :: 4.651 HB2 :: 3.057 HB3 :: 3.107 HD1 :: 7.281 HD2 :: 7.281 HE1 :: 7.306 HE2 :: 7.306 HZ :: 7.324 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.869 Ave N Shift Values>> N :: 120.69(4.18) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.N17 2.N17 C Shift Assignments>> C :: 173.996 CA :: 58.045 CB :: 64.050 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.177 HA :: 4.395 HB2 :: 3.765 HB3 :: 3.798 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 :: 117.865 Ave N Shift Values>> N :: 116.3(3.95) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 M 0.12 K 0.04 I 0.04 Q 0.02 HN Overlap>> 1.E7 1.E7 C Shift Assignments>> C :: 176.699 CA :: 56.479 CB :: 30.715 CG :: 36.588 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 :: 8.425 HA :: 4.290 HB2 :: 2.151 HB3 :: 1.962 HG2 :: 2.335 HG3 :: 2.335 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 :: 122.791 Ave N Shift Values>> N :: 120.68(3.68) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.26 K 0.18 Q 0.17 M 0.04 I 0.02 R 0.01 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> C :: 175.145 CA :: 55.617 CB :: 29.095 CG :: 35.337 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 :: 8.421 HA :: 4.742 HB2 :: 2.189 HB3 :: 1.795 HG2 :: 2.287 HG3 :: 2.287 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 :: 122.775 Ave N Shift Values>> N :: 120.68(3.68) 1.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.2 D 0.15 C 0.11 K 0.07 G 0.05 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 171.610 CA :: 53.880 CB :: 43.144 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.917 HA :: 4.969 HB2 :: 3.071 HB3 :: 2.923 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 :: 115.067 Ave N Shift Values>> N :: 119.95(4.79) 1.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.25 E 0.24 Q 0.03 K 0.02 C Shift Assignments>> C :: 174.038 CA :: 53.312 CB :: 36.165 CG :: 31.297 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 :: 9.379 HA :: 5.049 HB2 :: 1.916 HB3 :: 1.538 HG2 :: 2.287 HG3 :: 2.089 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 :: 117.763 Ave N Shift Values>> N :: 120.1(3.88) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 C 0.34 W 0.25 C Shift Assignments>> C :: 176.698 CA :: 55.016 CB :: 31.116 CD2 :: 118.501 CE1 :: 139.100 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.610 HA :: 4.877 HB2 :: 3.082 HB3 :: 3.196 HD1 :: 7.298 HD2 :: 6.855 HE1 :: 8.329 HE2 :: 9.569 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.293 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 C 0.26 P 0.06 A 0.04 L 0.02 N 0.01 C Shift Assignments>> C :: 174.559 CA :: 47.652 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.249 HA2 :: 4.104 HA3 :: 3.843 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.224 Ave N Shift Values>> N :: 109.91(4.29) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.178 CA :: 57.731 CB :: 63.439 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.999 HA :: 4.653 HB2 :: 3.928 HB3 :: 3.928 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 :: 121.965 Ave N Shift Values>> N :: 116.3(3.95) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 C 0.26 P 0.17 A 0.07 N 0.03 L 0.01 D 0.01 C Shift Assignments>> C :: 176.178 CA :: 47.972 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.022 HA2 :: 4.052 HA3 :: 3.957 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.294 Ave N Shift Values>> N :: 109.91(4.29) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.32 E 0.24 K 0.03 C Shift Assignments>> C :: 177.045 CA :: 60.282 CB :: 29.145 CG :: 37.015 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 :: 9.552 HA :: 4.347 HB2 :: 2.066 HB3 :: 2.066 HG2 :: 2.349 HG3 :: 2.349 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 :: 123.736 Ave N Shift Values>> N :: 120.68(3.68) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.17 D 0.13 Y 0.04 F 0.03 L 0.01 C Shift Assignments>> C :: 174.848 CA :: 51.725 CB :: 38.404 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 :: 8.425 HA :: 5.030 HB2 :: 2.975 HB3 :: 2.785 HD21 :: 7.673 HD22 :: 6.905 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 :: 112.918 ND2 :: 113.291 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 175.773 CA :: 60.125 CB :: 38.590 CD1 :: 133.382 CD2 :: 133.382 CE1 :: 118.234 CE2 :: 118.234 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.622 HA :: 4.445 HB2 :: 3.100 HB3 :: 3.100 HD1 :: 7.089 HD2 :: 7.089 HE1 :: 6.841 HE2 :: 6.841 HH :: 10.642 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.437 Ave N Shift Values>> N :: 120.79(4.69) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.24 C 0.12 R 0.09 K 0.08 N 0.08 F 0.03 Y 0.02 G 0.02 C Shift Assignments>> C :: 175.748 CA :: 52.327 CB :: 42.265 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 :: 8.722 HA :: 4.599 HB2 :: 2.329 HB3 :: 2.329 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 :: 130.345 Ave N Shift Values>> N :: 120.73(4.2) 1.G18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.57 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.732 CA :: 44.739 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 4.504(S) HA2 :: 4.092 HA3 :: 3.786 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.445 Ave N Shift Values>> N :: 109.91(4.29) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.33 R 0.2 M 0.04 C Shift Assignments>> C :: 176.409 CA :: 55.454 CB :: 32.499 CG :: 25.100 CD :: 29.560 CE :: 42.114 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 :: 9.272 HA :: 3.248 HB2 :: 1.639 HB3 :: 1.639 HG2 :: 1.040 HG3 :: 1.284 HD2 :: 1.570 HD3 :: 1.570 HE2 :: 2.940 HE3 :: 2.940 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 :: 117.569 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 176.756 CA :: 64.261 CB :: 36.212 CG1 :: 29.516 CG2 :: 18.072 CD1 :: 13.230 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 :: 7.559 HA :: 3.991 HB :: 1.982 HG12 :: 1.666 HG13 :: 1.234 HG21 :: 0.992 HG22 :: 0.992 HG23 :: 0.992 HD11 :: 0.356 HD12 :: 0.356 HD13 :: 0.356 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 :: 122.778 Ave N Shift Values>> N :: 121.6(4.72) 1.S21 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 :: 172.708 CA :: 57.513 CB :: 65.126 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.817 HA :: 5.128 HB2 :: 4.483 HB3 :: 3.507 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.859 Ave N Shift Values>> N :: 116.3(3.95) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 M 0.03 K 0.02 A 0.02 C Shift Assignments>> C :: 176.120 CA :: 53.471 CB :: 37.049 CG :: 24.329 CD :: 29.771 CE :: 39.364 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 :: 7.150 HA :: 5.530 HB2 :: 1.602 HB3 :: 1.602 HG2 :: 1.417 HG3 :: 1.417 HD2 :: 1.625 HD3 :: 1.625 HE2 :: 3.031 HE3 :: 3.031 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.681 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.23 C Shift Assignments>> C :: 177.971 CA :: 61.032 CB :: 70.818 CG2 :: 23.230 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 :: 9.134 HA :: 4.630 HB :: 4.553 HG1 :: 6.051 HG21 :: 1.214 HG22 :: 1.214 HG23 :: 1.214 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.072 Ave N Shift Values>> N :: 115.7(5.05) 1.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 M 0.23 Q 0.16 K 0.15 E 0.04 R 0.03 C Shift Assignments>> C :: 176.122 CA :: 58.704 CB :: 32.546 CG :: 30.843 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 :: 9.383 HA :: 4.168 HB2 :: 2.193 HB3 :: 1.771 HG2 :: 2.387 HG3 :: 2.650 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.120 Ave N Shift Values>> N :: 120.1(3.88) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.848 CA :: 58.895 CB :: 62.844 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.763 HA :: 4.575 HB2 :: 4.082 HB3 :: 3.905 HG :: 6.060 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 :: 113.626 Ave N Shift Values>> N :: 116.3(3.95) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 174.212 CA :: 45.125 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.136 HA2 :: 4.305 HA3 :: 3.503 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.819 Ave N Shift Values>> N :: 109.91(4.29) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.23 A 0.03 R 0.03 G 0.02 C Shift Assignments>> C :: 176.178 CA :: 54.211 CB :: 42.260 CG :: 25.728 CD1 :: 25.990 CD2 :: 23.320 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 :: 7.183 HA :: 4.319 HB2 :: 1.982 HB3 :: 1.276 HG :: 1.562 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 0.872 HD22 :: 0.872 HD23 :: 0.872 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 :: 120.765 Ave N Shift Values>> N :: 121.98(4.07) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 C 0.29 K 0.13 Q 0.12 M 0.1 I 0.02 HN Overlap>> 1.H38 1.H38 C Shift Assignments>> C :: 177.161 CA :: 56.451 CB :: 30.018 CG :: 35.519 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 :: 8.699 HA :: 4.506 HB2 :: 1.984 HB3 :: 2.024 HG2 :: 2.394 HG3 :: 2.394 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 :: 122.582 Ave N Shift Values>> N :: 120.68(3.68) 1.C29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 N 0.21 Y 0.17 F 0.11 E 0.09 D 0.08 M 0.02 I 0.02 L 0.02 C Shift Assignments>> C :: 177.045 CA :: 55.189 CB :: 37.938 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.624 HA :: 4.812 HB2 :: 3.249 HB3 :: 2.652 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 :: 125.564 Ave N Shift Values>> N :: 119.95(4.79) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.22 M 0.15 E 0.06 R 0.05 C Shift Assignments>> C :: 175.310 CA :: 55.501 CB :: 29.943 CG :: 33.177 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 :: 9.664 HA :: 3.841 HB2 :: 1.192 HB3 :: 1.771 HG2 :: 2.430 HG3 :: 2.220 HE21 :: 7.785 HE22 :: 6.189 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 :: 127.687 NE2 :: 110.530 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.22 C 0.01 C Shift Assignments>> C :: 178.722 CA :: 52.327 CB :: 18.034 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.728 HA :: 4.052 HB1 :: 1.306 HB2 :: 1.306 HB3 :: 1.306 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.680 Ave N Shift Values>> N :: 123.23(3.7) 1.W32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.46 H 0.02 C Shift Assignments>> C :: 177.566 CA :: 59.531 CB :: 29.953 CD1 :: 127.751 CE3 :: 120.010 CZ2 :: 115.120 CZ3 :: 119.713 CH2 :: 123.140 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.703 HA :: 4.244 HB2 :: 3.664 HB3 :: 2.920 HD1 :: 7.104 HE1 :: 11.419 HE3 :: 7.790 HZ2 :: 7.347 HZ3 :: 7.260 HH2 :: 7.128 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 :: 123.505 NE1 :: 131.483 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.16 N 0.13 C 0.12 F 0.09 Y 0.08 K 0.08 R 0.01 C Shift Assignments>> C :: 175.831 CA :: 54.398 CB :: 40.707 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 :: 8.797 HA :: 4.634 HB2 :: 2.843 HB3 :: 2.843 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 :: 113.424 Ave N Shift Values>> N :: 120.73(4.2) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.096 CA :: 56.454 CB :: 65.137 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.039 HA :: 4.737 HB2 :: 4.189 HB3 :: 3.961 HG :: 6.173 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 :: 114.429 Ave N Shift Values>> N :: 116.3(3.95) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 C 0.25 Q 0.2 R 0.13 M 0.09 E 0.01 C Shift Assignments>> C :: 173.518 CA :: 54.020 CB :: 28.804 CG :: 32.581 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 :: 8.387 HA :: 4.426 HB2 :: 1.494 HB3 :: 2.664 HG2 :: 2.212 HG3 :: 2.212 HE21 :: 8.131 HE22 :: 6.089 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.700 NE2 :: 116.583 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C Shift Assignments>> C :: 172.824 CA :: 54.749 CB :: 65.162 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.746 HA :: 4.466 HB2 :: 3.518 HB3 :: 3.518 HG :: 5.346 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 :: 112.974 Ave N Shift Values>> N :: 116.3(3.95) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.57 C 0.41 C Shift Assignments>> C :: 176.351 CA :: 64.110 CB :: 33.670 CG :: 24.735 CD :: 50.050 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 :: 4.382 HB2 :: 2.180 HB3 :: 1.225 HG2 :: 2.450 HG3 :: 1.279 HD2 :: 3.262 HD3 :: 3.952 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.H38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.35 C 0.27 HN Overlap>> 1.E28 1.E28 C Shift Assignments>> C :: 178.144 CA :: 55.580 CB :: 30.421 CD2 :: 119.950 CE1 :: 137.481 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 :: 8.764 HA :: 4.897 HB2 :: 3.037 HB3 :: 2.815 HD2 :: 6.860 HE1 :: 8.234 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 :: 122.516 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.13 C 0.02 C Shift Assignments>> C :: 178.375 CA :: 51.440 CB :: 18.980 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.673 HA :: 4.493 HB1 :: 1.427 HB2 :: 1.427 HB3 :: 1.427 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.546 Ave N Shift Values>> N :: 123.23(3.7) 1.H40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 W 0.12 H 0.09 C Shift Assignments>> C :: 175.484 CA :: 56.141 CB :: 35.545 CD2 :: 120.118 CE1 :: 138.985 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.291 HA :: 4.734 HB2 :: 2.105 HB3 :: 3.099 HD2 :: 7.125 HE1 :: 8.331 HE2 :: 10.346 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.682 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 176.409 CA :: 44.724 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.080 HA2 :: 4.602 HA3 :: 3.671 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.159 Ave N Shift Values>> N :: 109.91(4.29) 1.Y42 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.53 Y 0.42 H 0.03 C Shift Assignments>> C :: 174.385 CA :: 57.579 CB :: 36.198 CD1 :: 133.433 CD2 :: 133.433 CE1 :: 117.692 CE2 :: 117.692 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 :: 11.980(A) HA :: 4.616 HB2 :: 3.179 HB3 :: 4.169(S) HD1 :: 6.832 HD2 :: 6.832 HE1 :: 6.986 HE2 :: 6.986 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 :: 133.554 Ave N Shift Values>> N :: 120.79(4.69) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.46 A 0.02 C Shift Assignments>> C :: 177.219 CA :: 58.201 CB :: 38.761 CG1 :: 27.801 CG2 :: 17.446 CD1 :: 12.023 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 :: 7.120 HA :: 4.630 HB :: 1.643 HG12 :: 1.444 HG13 :: 1.251 HG21 :: 1.004 HG22 :: 1.004 HG23 :: 1.004 HD11 :: 0.829 HD12 :: 0.829 HD13 :: 0.829 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.881 Ave N Shift Values>> N :: 121.6(4.72) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.43 C Shift Assignments>> C :: 178.780 CA :: 67.061 CB :: 32.267 CG :: 26.627 CD :: 50.957 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 :: 4.193 HB2 :: 2.186 HB3 :: 2.570 HG2 :: 1.753 HG3 :: 2.238 HD2 :: 3.945 HD3 :: 3.252 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.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.004 CA :: 60.161 CB :: 62.260 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.984 HA :: 4.087 HB2 :: 3.892 HB3 :: 3.892 HG :: 4.835 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 :: 107.865 Ave N Shift Values>> N :: 116.3(3.95) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.26 R 0.24 G 0.07 M 0.02 C Shift Assignments>> C :: 175.831 CA :: 57.349 CB :: 33.283 CG :: 25.054 CD :: 29.227 CE :: 43.464 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 :: 7.769 HA :: 3.965 HB2 :: 1.413 HB3 :: 1.631 HG2 :: 1.106 HG3 :: 0.728 HD2 :: 1.230 HD3 :: 1.230 HE2 :: 2.823 HE3 :: 2.823 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 :: 121.944 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 Y 0.33 C 0.29 C Shift Assignments>> C :: 174.790 CA :: 54.142 CB :: 39.434 CD1 :: 132.480 CD2 :: 132.480 CE1 :: 130.982 CE2 :: 130.982 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 :: 7.018 HA :: 5.244 HB2 :: 3.063 HB3 :: 2.701 HD1 :: 7.225 HD2 :: 7.225 HE1 :: 7.526 HE2 :: 7.526 HZ :: 7.018 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 :: 115.480 Ave N Shift Values>> N :: 120.69(4.18) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 177.681 CA :: 65.513 CB :: 31.712 CG :: 28.865 CD :: 50.690 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 :: 4.472 HB2 :: 2.255 HB3 :: 2.056 HG2 :: 1.981 HG3 :: 1.456 HD2 :: 3.288 HD3 :: 3.612 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.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.24 Y 0.08 E 0.06 D 0.06 F 0.05 M 0.03 C Shift Assignments>> C :: 175.715 CA :: 53.372 CB :: 37.351 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 :: 8.559 HA :: 4.818 HB2 :: 3.049 HB3 :: 2.922 HD21 :: 7.668 HD22 :: 7.025 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.836 ND2 :: 112.463 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.27 R 0.27 M 0.01 G 0.01 C Shift Assignments>> C :: 175.079 CA :: 53.336 CB :: 31.284 CG :: 25.079 CD :: 28.650 CE :: 42.179 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 :: 7.627 HA :: 4.480 HB2 :: 1.564 HB3 :: 1.898 HG2 :: 1.260 HG3 :: 1.260 HD2 :: 1.624 HD3 :: 1.624 HE2 :: 3.062 HE3 :: 2.955 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.224 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 N 0.23 E 0.15 M 0.09 Y 0.08 F 0.03 K 0.03 D 0.02 Q 0.01 C Shift Assignments>> C :: 175.195 CA :: 54.089 CB :: 36.504 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.945 HA :: 4.304 HB2 :: 3.134 HB3 :: 2.853 HD21 :: 7.818 HD22 :: 6.833 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 :: 115.331 ND2 :: 113.497 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.68 C 0.21 L 0.03 G 0.03 R 0.02 C Shift Assignments>> C :: 174.674 CA :: 53.983 CB :: 42.471 CG :: 25.766 CD1 :: 19.460 CD2 :: 25.400 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 :: 8.803 HA :: 3.412 HB2 :: 1.378 HB3 :: 1.722 HG :: 1.080 HD11 :: -0.833(S) HD12 :: -0.833(S) HD13 :: -0.833(S) HD21 :: 0.653 HD22 :: 0.653 HD23 :: 0.653 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 :: 121.765 Ave N Shift Values>> N :: 121.98(4.07) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.3 K 0.22 G 0.02 M 0.01 C Shift Assignments>> C :: 173.460 CA :: 54.843 CB :: 36.395 CG :: 25.127 CD :: 29.795 CE :: 42.327 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 :: 7.099 HA :: 4.324 HB2 :: 1.649 HB3 :: 1.772 HG2 :: 1.400 HG3 :: 1.270 HD2 :: 1.725 HD3 :: 1.725 HE2 :: 2.989 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 :: 124.403 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.38 C 0.32 K 0.22 G 0.04 L 0.01 M 0.01 C Shift Assignments>> C :: 173.344 CA :: 56.366 CB :: 29.830 CG :: 24.979 CD :: 28.670 CE :: 42.986 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 :: 8.805 HA :: 3.692 HB2 :: 1.143 HB3 :: 0.753(S) HG2 :: 1.355 HG3 :: 1.397 HD2 :: 1.670 HD3 :: 1.670 HE2 :: 2.983 HE3 :: 2.983 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 :: 118.125 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.26 D 0.05 Y 0.03 M 0.02 F 0.02 E 0.01 C Shift Assignments>> C :: 172.188 CA :: 51.091 CB :: 37.234 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.567 HA :: 4.643 HB2 :: 1.897 HB3 :: 2.447 HD21 :: 7.715 HD22 :: 7.214 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 :: 123.893 ND2 :: 111.061 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 177.276 CA :: 54.447 CB :: 38.633 CD1 :: 132.720 CD2 :: 132.720 CE1 :: 117.480 CE2 :: 117.480 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.584 HA :: 4.892 HB2 :: 3.328 HB3 :: 2.821 HD1 :: 6.878 HD2 :: 6.878 HE1 :: 6.834 HE2 :: 6.834 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.237 Ave N Shift Values>> N :: 120.79(4.69) 1.C57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 G 0.23 P 0.13 C Shift Assignments>> C :: 175.600 CA :: 59.824 CB :: 48.356 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.149 HA :: 4.398 HB2 :: 3.418 HB3 :: 2.404 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.273 Ave N Shift Values>> N :: 119.95(4.79) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.29 G 0.15 L 0.05 K 0.03 C Shift Assignments>> C :: 173.576 CA :: 53.187 CB :: 29.412 CG :: 27.470 CD :: 43.453 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 :: 9.138 HA :: 4.918 HB2 :: 1.484 HB3 :: 1.342 HG2 :: 1.885 HG3 :: 1.654 HD2 :: 3.657 HD3 :: 3.035 HE :: 8.011 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 :: 122.881 NE :: 88.964 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.N59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> N 0.43 C 0.25 Y 0.07 E 0.06 D 0.05 F 0.04 M 0.04 K 0.01 C Shift Assignments>> C :: 172.824 CA :: 53.176 CB :: 37.237 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 :: 8.868 HA :: 5.513 HB2 :: 3.079 HB3 :: 1.916 HD21 :: 6.895 HD22 :: 6.647 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.603 ND2 :: 104.198(S) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P60 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 :: 175.715 CA :: 63.643 CB :: 32.507 CG :: 26.896 CD :: 51.520 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 :: 4.712 HB2 :: 1.661 HB3 :: 1.761 HG2 :: 1.890 HG3 :: 1.480 HD2 :: 3.890 HD3 :: 2.625 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.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 C 0.12 N 0.1 K 0.08 R 0.07 F 0.03 Y 0.02 G 0.02 C Shift Assignments>> C :: 174.848 CA :: 51.953 CB :: 42.092 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 :: 8.883 HA :: 4.495 HB2 :: 3.122 HB3 :: 2.298 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 :: 118.660 Ave N Shift Values>> N :: 120.73(4.2) 1.R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 L 0.24 R 0.16 G 0.15 K 0.07 C Shift Assignments>> C :: 176.236 CA :: 57.318 CB :: 26.990 CG :: 27.921 CD :: 43.792 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 :: 8.395 HA :: 3.789 HB2 :: 1.876 HB3 :: 1.926 HG2 :: 1.495 HG3 :: 1.495 HD2 :: 3.166 HD3 :: 3.166 HE :: 7.259 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.013 NE :: 85.559 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.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.24 C 0.13 R 0.11 G 0.06 K 0.06 N 0.06 F 0.03 Y 0.02 C Shift Assignments>> C :: 177.334 CA :: 51.973 CB :: 42.698 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 :: 9.735 HA :: 4.769 HB2 :: 3.279 HB3 :: 2.926 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 :: 121.799 Ave N Shift Values>> N :: 120.73(4.2) 1.L64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.42 C 0.31 R 0.13 G 0.11 C Shift Assignments>> C :: 176.467 CA :: 57.772 CB :: 43.630 CG :: 27.468 CD1 :: 25.238 CD2 :: 23.020 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 :: 10.919(S) HA :: 3.995 HB2 :: 1.390 HB3 :: 1.416 HG :: 1.841 HD11 :: 0.954 HD12 :: 0.954 HD13 :: 0.954 HD21 :: 0.899 HD22 :: 0.899 HD23 :: 0.899 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 :: 121.789 Ave N Shift Values>> N :: 121.98(4.07) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.24 C 0.22 K 0.16 G 0.07 C Shift Assignments>> C :: 172.130 CA :: 53.368 CB :: 28.429 CG :: 26.235 CD :: 43.126 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.633 HA :: 5.006 HB2 :: 2.097 HB3 :: 1.808 HG2 :: 1.217 HG3 :: 1.545 HD2 :: 3.461 HD3 :: 3.085 HE :: 7.289 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 :: 108.790 NE :: 84.823 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.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 172.940 CA :: 63.677 CB :: 32.592 CG :: 27.875 CD :: 50.735 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 :: 4.281 HB2 :: 1.475 HB3 :: 1.768 HG2 :: 1.908 HG3 :: 1.481 HD2 :: 3.115 HD3 :: 4.028 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.W67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 W 0.11 H 0.02 C Shift Assignments>> C :: 172.919 CA :: 56.035 CB :: 34.026 CD1 :: 128.232 CE3 :: 121.210 CZ2 :: 116.022 CZ3 :: 118.907 CH2 :: 123.905 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 :: 8.716 HA :: 5.406 HB2 :: 3.343 HB3 :: 3.343 HD1 :: 7.714 HE1 :: 10.169 HE3 :: 7.491 HZ2 :: 6.783 HZ3 :: 6.659 HH2 :: 7.406 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 :: 121.250 NE1 :: 129.596 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.C68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.19 R 0.15 D 0.12 C 0.1 F 0.08 Y 0.06 N 0.01 C Shift Assignments>> C :: 175.079 CA :: 55.876 CB :: 42.232 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.384 HA :: 4.265 HB2 :: 3.320 HB3 :: 2.896 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 :: 109.624 Ave N Shift Values>> N :: 119.95(4.79) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 F 0.38 C Shift Assignments>> C :: 176.814 CA :: 59.299 CB :: 38.411 CD1 :: 132.507 CD2 :: 132.507 CE1 :: 132.026 CE2 :: 132.026 CZ :: 131.726 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 :: 8.031 HA :: 5.420 HB2 :: 2.957 HB3 :: 2.363 HD1 :: 7.165 HD2 :: 7.165 HE1 :: 7.260 HE2 :: 7.260 HZ :: 7.485 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 :: 120.433 Ave N Shift Values>> N :: 120.69(4.18) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.518 CA :: 61.208 CB :: 70.441 CG2 :: 21.866 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 :: 8.002 HA :: 5.408 HB :: 4.300 HG1 :: 6.205 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.351 Ave N Shift Values>> N :: 115.7(5.05) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.903 CA :: 62.413 CB :: 69.167 CG2 :: 21.845 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 :: 8.126 HA :: 4.037 HB :: 4.529 HG1 :: 6.203 HG21 :: 1.151 HG22 :: 1.151 HG23 :: 1.151 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 104.863 Ave N Shift Values>> N :: 115.7(5.05) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.3 L 0.22 D 0.14 C 0.13 R 0.11 N 0.02 K 0.02 F 0.01 Y 0.01 C Shift Assignments>> C :: 176.929 CA :: 51.333 CB :: 43.416 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 :: 9.024 HA :: 4.936 HB2 :: 3.044 HB3 :: 2.582 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.242 Ave N Shift Values>> N :: 120.73(4.2) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 177.045 CA :: 64.632 CB :: 32.460 CG :: 27.475 CD :: 51.230 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.962 HB2 :: 2.279 HB3 :: 1.887 HG2 :: 1.908 HG3 :: 2.035 HD2 :: 4.128 HD3 :: 3.930 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.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.24 C 0.14 Y 0.08 F 0.07 L 0.06 C Shift Assignments>> C :: 174.443 CA :: 53.380 CB :: 39.333 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 :: 8.943 HA :: 4.854 HB2 :: 2.866 HB3 :: 2.701 HD21 :: 7.948 HD22 :: 6.977 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.144 ND2 :: 115.316 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.31 R 0.22 M 0.02 A 0.01 C Shift Assignments>> C :: 173.402 CA :: 54.154 CB :: 32.186 CG :: 23.959 CD :: 28.040 CE :: 41.727 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 :: 7.795 HA :: 4.571 HB2 :: 1.332 HB3 :: 1.721 HG2 :: 0.945 HG3 :: 1.040 HD2 :: 1.503 HD3 :: 1.503 HE2 :: 2.806 HE3 :: 2.806 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 :: 122.835 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.39 G 0.11 K 0.06 C Shift Assignments>> C :: 175.137 CA :: 60.532 CB :: 29.307 CG :: 28.670 CD :: 43.210 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 :: 9.132 HA :: 4.555 HB2 :: 1.980 HB3 :: 1.718 HG2 :: 1.649 HG3 :: 1.649 HD2 :: 3.474 HD3 :: 3.474 HE :: 7.950 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 129.676 NE :: 85.375 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.W77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 W 0.47 H 0.03 C Shift Assignments>> C :: 172.940 CA :: 55.044 CB :: 31.951 CD1 :: 127.541 CE3 :: 120.538 CZ2 :: 115.366 CZ3 :: 121.950 CH2 :: 124.252 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.559 HA :: 5.357 HB2 :: 2.908 HB3 :: 2.543 HD1 :: 6.956 HE1 :: 9.433 HE3 :: 7.672 HZ2 :: 6.772 HZ3 :: 6.742 HH2 :: 6.839 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 :: 109.174 NE1 :: 130.528 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 M 0.05 E 0.05 C Shift Assignments>> C :: 174.501 CA :: 55.659 CB :: 34.557 CG :: 37.656 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 :: 8.638 HA :: 3.671 HB2 :: 1.906 HB3 :: 1.670 HG2 :: 2.823 HG3 :: 2.228 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 :: 118.907 Ave N Shift Values>> N :: 120.68(3.68) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 175.889 CA :: 60.120 CB :: 39.789 CD1 :: 132.548 CD2 :: 132.548 CE1 :: 117.485 CE2 :: 117.485 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.636 HA :: 4.995 HB2 :: 3.318 HB3 :: 2.847 HD1 :: 6.897 HD2 :: 6.897 HE1 :: 6.914 HE2 :: 6.914 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 :: 119.277 Ave N Shift Values>> N :: 120.79(4.69) 1.C80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 C 0.24 L 0.11 C Shift Assignments>> C :: 172.419 CA :: 54.618 CB :: 46.736 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.398 HA :: 4.720 HB2 :: 2.983 HB3 :: 3.148 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 :: 118.623 Ave N Shift Values>> N :: 119.95(4.79) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.22 L 0.14 C 0.11 F 0.06 K 0.05 Y 0.05 R 0.01 C Shift Assignments>> C :: 173.576 CA :: 52.855 CB :: 40.733 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 :: 9.729 HA :: 4.781 HB2 :: 2.772 HB3 :: 2.231 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.777 Ave N Shift Values>> N :: 120.73(4.2) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.28 A 0.13 C Shift Assignments>> C :: 173.923 CA :: 56.118 CB :: 38.166 CG1 :: 26.520 CG2 :: 16.791 CD1 :: 11.479 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 :: 7.820 HA :: 4.320 HB :: 1.846 HG12 :: 0.720 HG13 :: 1.123 HG21 :: 0.410 HG22 :: 0.410 HG23 :: 0.410 HD11 :: 0.370 HD12 :: 0.370 HD13 :: 0.370 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.281 Ave N Shift Values>> N :: 121.6(4.72) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 175.167 CA :: 62.844 CB :: 32.450 CG :: 27.708 CD :: 51.281 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 :: 4.337 HB2 :: 2.260 HB3 :: 2.234 HG2 :: 2.120 HG3 :: 1.996 HD2 :: 3.522 HD3 :: 3.766 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.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.33 K 0.16 G 0.06 C Shift Assignments>> C :: 175.137 CA :: 55.617 CB :: 30.482 CG :: 28.042 CD :: 43.213 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 :: 8.656 HA :: 4.658 HB2 :: 1.796 HB3 :: 1.796 HG2 :: 1.422 HG3 :: 1.832 HD2 :: 3.292 HD3 :: 3.258 HE :: 7.019 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 :: 122.316 NE :: 84.271 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.C85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 D 0.25 C 0.14 Y 0.11 F 0.1 L 0.08 K 0.01 C Shift Assignments>> C :: 174.906 CA :: 54.177 CB :: 39.574 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.783 HA :: 4.479 HB2 :: 3.176 HB3 :: 1.884 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 :: 124.002 Ave N Shift Values>> N :: 119.95(4.79) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.25 C 0.02 C Shift Assignments>> C :: 176.236 CA :: 53.067 CB :: 19.034 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.746 HA :: 4.255 HB1 :: 1.403 HB2 :: 1.403 HB3 :: 1.403 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.444 Ave N Shift Values>> N :: 123.23(3.7) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.29 L 0.05 C 0.05 V 0.01 C Shift Assignments>> C :: 182.423 CA :: 53.659 CB :: 20.365 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.869 HA :: 4.204 HB1 :: 1.359 HB2 :: 1.359 HB3 :: 1.359 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.229 Ave N Shift Values>> N :: 123.23(3.7) 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.779 CA :: 58.624 CB :: 63.939 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.570 HB2 :: 3.897 HB3 :: 3.897 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) 2.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 HN Overlap>> 1.F4 1.F4 2.E21 2.E11 2.E21 2.E11 C Shift Assignments>> C :: 176.450 CA :: 62.793 CB :: 32.495 CG1 :: 21.054 CG2 :: 20.829 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 :: 8.341 HA :: 4.151 HB :: 2.129 HG11 :: 0.971 HG12 :: 0.971 HG13 :: 0.971 HG21 :: 0.981 HG22 :: 0.981 HG23 :: 0.981 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 :: 121.954 Ave N Shift Values>> N :: 121.02(4.96) 2.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.09 K 0.07 I 0.05 Q 0.04 C Shift Assignments>> C :: 176.450 CA :: 56.955 CB :: 30.233 CG :: 36.284 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 :: 8.521 HA :: 4.291 HB2 :: 1.966 HB3 :: 1.998 HG2 :: 2.272 HG3 :: 2.402 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.722 Ave N Shift Values>> N :: 120.68(3.68) 2.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.33 K 0.27 L 0.02 C Shift Assignments>> C :: 176.784 CA :: 56.688 CB :: 30.228 CG :: 24.910 CD :: 27.268 CE :: 41.911 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 :: 8.323 HA :: 4.313 HB2 :: 1.823 HB3 :: 1.735 HG2 :: 1.430 HG3 :: 1.430 HD2 :: 1.626 HD3 :: 1.430 HE2 :: 2.989 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 :: 122.689 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.28 R 0.08 G 0.03 A 0.01 C Shift Assignments>> C :: 177.632 CA :: 55.480 CB :: 42.587 CG :: 27.024 CD1 :: 24.926 CD2 :: 23.437 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 :: 8.369 HA :: 4.500 HB2 :: 1.735 HB3 :: 1.642 HG :: 1.690 HD11 :: 0.926 HD12 :: 0.926 HD13 :: 0.926 HD21 :: 0.881 HD22 :: 0.881 HD23 :: 0.881 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 :: 123.373 Ave N Shift Values>> N :: 121.98(4.07) 2.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.614 CA :: 62.000 CB :: 70.090 CG2 :: 22.158 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>> HA :: 4.558 HB :: 4.357 HG1 :: 4.775 HG21 :: 1.336 HG22 :: 1.336 HG23 :: 1.336 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) 2.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.32 I 0.04 C 0.04 V 0.01 C Shift Assignments>> C :: 179.290 CA :: 55.552 CB :: 18.704 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.649 HA :: 4.458 HB1 :: 1.705 HB2 :: 1.705 HB3 :: 1.705 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.857 Ave N Shift Values>> N :: 123.23(3.7) 2.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 C 0.15 K 0.15 L 0.11 D 0.07 I 0.05 R 0.03 C Shift Assignments>> C :: 178.845 CA :: 57.733 CB :: 40.881 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 :: 8.286 HA :: 4.457 HB2 :: 2.661 HB3 :: 2.620 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 :: 115.621 Ave N Shift Values>> N :: 120.73(4.2) 2.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.41 C 0.03 I 0.02 C Shift Assignments>> C :: 180.906 CA :: 55.014 CB :: 18.631 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.887 HA :: 4.182 HB1 :: 1.561 HB2 :: 1.561 HB3 :: 1.561 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.756 Ave N Shift Values>> N :: 123.23(3.7) 2.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.17 K 0.07 Q 0.03 M 0.03 HN Overlap>> 2.V3 2.E21 2.V3 2.E21 C Shift Assignments>> C :: 178.678 CA :: 59.105 CB :: 29.559 CG :: 36.257 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 :: 8.390 HA :: 4.256 HB2 :: 2.210 HB3 :: 2.238 HG2 :: 2.398 HG3 :: 2.398 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 :: 121.999 Ave N Shift Values>> N :: 120.68(3.68) 2.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.42 R 0.09 C Shift Assignments>> C :: 178.288 CA :: 58.407 CB :: 41.329 CG :: 27.550 CD1 :: 25.660 CD2 :: 22.654 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 :: 8.395 HA :: 3.808 HB2 :: 1.133 HB3 :: 2.005 HG :: 1.339 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 HD21 :: -0.081 HD22 :: -0.081 HD23 :: -0.081 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 :: 119.939 Ave N Shift Values>> N :: 121.98(4.07) 2.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.23 E 0.11 R 0.06 I 0.02 M 0.02 C Shift Assignments>> C :: 177.954 CA :: 58.674 CB :: 28.513 CG :: 33.860 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 :: 7.761 HA :: 4.008 HB2 :: 2.120 HB3 :: 2.151 HG2 :: 2.347 HG3 :: 2.435 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 :: 117.305 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.37 G 0.07 K 0.06 C Shift Assignments>> C :: 179.625 CA :: 59.770 CB :: 29.884 CG :: 27.264 CD :: 43.186 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.752 HA :: 4.053 HB2 :: 1.925 HB3 :: 2.124 HG2 :: 1.745 HG3 :: 1.545 HD2 :: 3.127 HD3 :: 3.327 HE :: 7.532 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 :: 121.241 NE :: 84.250 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 2.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.37 R 0.02 C Shift Assignments>> C :: 180.627 CA :: 58.251 CB :: 41.751 CG :: 26.065 CD1 :: 25.160 CD2 :: 22.970 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 :: 8.478 HA :: 3.974 HB2 :: 1.488 HB3 :: 1.731 HG :: 1.708 HD11 :: 0.141 HD12 :: 0.141 HD13 :: 0.141 HD21 :: 0.849 HD22 :: 0.849 HD23 :: 0.849 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 :: 120.898 Ave N Shift Values>> N :: 121.98(4.07) 2.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.32 K 0.24 C Shift Assignments>> C :: 178.288 CA :: 60.242 CB :: 30.249 CG :: 24.049 CD :: 27.526 CE :: 41.754 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 :: 8.437 HA :: 3.368 HB2 :: 1.769 HB3 :: 2.087 HG2 :: 0.545 HG3 :: 0.911 HD2 :: 1.343 HD3 :: 1.443 HE2 :: 2.648 HE3 :: 2.880 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 :: 123.214 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.2 E 0.16 F 0.12 N 0.08 I 0.04 D 0.03 M 0.03 K 0.01 L 0.01 HN Overlap>> 1.S5 1.S5 C Shift Assignments>> C :: 178.288 CA :: 56.318 CB :: 37.573 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 :: 8.137 HA :: 4.270 HB2 :: 2.900 HB3 :: 2.935 HD21 :: 7.793 HD22 :: 6.915 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.923 ND2 :: 111.928 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.34 I 0.22 K 0.04 M 0.03 Q 0.01 C Shift Assignments>> C :: 178.956 CA :: 59.659 CB :: 29.950 CG :: 36.614 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 :: 8.110 HA :: 4.146 HB2 :: 2.182 HB3 :: 2.197 HG2 :: 2.480 HG3 :: 2.452 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 :: 120.249 Ave N Shift Values>> N :: 120.68(3.68) 2.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.37 K 0.07 G 0.06 L 0.01 C Shift Assignments>> C :: 180.070 CA :: 59.564 CB :: 29.879 CG :: 27.308 CD :: 43.153 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.925 HA :: 4.057 HB2 :: 2.135 HB3 :: 2.308 HG2 :: 1.746 HG3 :: 1.525 HD2 :: 3.129 HD3 :: 3.399 HE :: 7.793 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.801 NE :: 83.180 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 2.H20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.42 C 0.37 W 0.2 C Shift Assignments>> C :: 176.784 CA :: 58.397 CB :: 29.343 CD2 :: 117.477 CE1 :: 136.585 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 :: 8.316 HA :: 4.574 HB2 :: 3.258 HB3 :: 3.387 HD1 :: 6.568 HD2 :: 6.590 HE1 :: 8.519 HE2 :: 7.538 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 :: 117.802 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 2.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.18 K 0.07 M 0.02 Q 0.02 HN Overlap>> 2.V3 2.V3 2.E11 2.E11 C Shift Assignments>> C :: 178.566 CA :: 59.105 CB :: 29.559 CG :: 36.368 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 :: 8.400 HA :: 4.268 HB2 :: 2.158 HB3 :: 2.231 HG2 :: 2.398 HG3 :: 2.363 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 :: 121.996 Ave N Shift Values>> N :: 120.68(3.68) 2.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.15 K 0.1 Q 0.04 M 0.02 C Shift Assignments>> C :: 178.288 CA :: 58.841 CB :: 29.322 CG :: 36.075 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 :: 8.285 HA :: 4.204 HB2 :: 2.295 HB3 :: 2.261 HG2 :: 2.361 HG3 :: 2.520 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 :: 119.798 Ave N Shift Values>> N :: 120.68(3.68) 2.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.38 C 0.03 I 0.01 C Shift Assignments>> C :: 179.569 CA :: 54.158 CB :: 18.923 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.037 HA :: 4.270 HB1 :: 1.561 HB2 :: 1.561 HB3 :: 1.561 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.418 Ave N Shift Values>> N :: 123.23(3.7) 2.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 K 0.12 I 0.08 Q 0.07 M 0.04 HN Overlap>> 2.E26 2.E26 C Shift Assignments>> C :: 177.954 CA :: 58.023 CB :: 29.566 CG :: 35.882 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 :: 8.039 HA :: 4.291 HB2 :: 1.860 HB3 :: 2.151 HG2 :: 2.381 HG3 :: 2.381 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 :: 119.517 Ave N Shift Values>> N :: 120.68(3.68) 2.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.34 R 0.05 HN Overlap>> 2.R27 2.R27 C Shift Assignments>> C :: 179.123 CA :: 57.213 CB :: 41.809 CG :: 27.049 CD1 :: 24.724 CD2 :: 24.724 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 :: 7.962 HA :: 4.226 HB2 :: 1.654 HB3 :: 1.860 HG :: 1.748 HD11 :: 0.908 HD12 :: 0.908 HD13 :: 0.908 HD21 :: 0.952 HD22 :: 0.952 HD23 :: 0.952 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 :: 120.617 Ave N Shift Values>> N :: 121.98(4.07) 2.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.11 K 0.07 M 0.05 Q 0.03 HN Overlap>> 2.E24 2.E24 C Shift Assignments>> C :: 177.954 CA :: 58.095 CB :: 29.910 CG :: 36.445 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 :: 8.093 HA :: 4.140 HB2 :: 2.117 HB3 :: 2.082 HG2 :: 2.359 HG3 :: 2.359 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 :: 119.473 Ave N Shift Values>> N :: 120.68(3.68) 2.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.11 G 0.06 HN Overlap>> 2.L25 2.L25 C Shift Assignments>> C :: 177.619 CA :: 57.677 CB :: 30.374 CG :: 27.273 CD :: 43.231 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.954 HA :: 4.210 HB2 :: 1.894 HB3 :: 1.963 HG2 :: 1.688 HG3 :: 1.688 HD2 :: 3.232 HD3 :: 3.232 HE :: 7.102 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.670 NE :: 82.329 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 2.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.31 R 0.07 G 0.01 A 0.01 C Shift Assignments>> C :: 178.065 CA :: 56.096 CB :: 42.252 CG :: 27.052 CD1 :: 23.412 CD2 :: 24.862 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 :: 8.038 HA :: 4.270 HB2 :: 1.649 HB3 :: 1.774 HG :: 1.722 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 HD21 :: 0.946 HD22 :: 0.946 HD23 :: 0.946 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 :: 120.818 Ave N Shift Values>> N :: 121.98(4.07) 2.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.32 K 0.22 G 0.05 C Shift Assignments>> C :: 176.951 CA :: 57.168 CB :: 32.755 CG :: 24.796 CD :: 26.976 CE :: 43.198 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 :: 7.944 HA :: 4.270 HB2 :: 1.815 HB3 :: 1.845 HG2 :: 1.490 HG3 :: 1.490 HD2 :: 1.713 HD3 :: 1.713 HE2 :: 3.192 HE3 :: 3.192 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.960 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.101 CA :: 58.590 CB :: 63.939 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.030 HA :: 4.466 HB2 :: 3.890 HB3 :: 3.890 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 :: 115.496 Ave N Shift Values>> N :: 116.3(3.95) 2.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.11 K 0.07 I 0.04 Q 0.04 C Shift Assignments>> C :: 175.112 CA :: 56.654 CB :: 30.389 CG :: 36.323 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 :: 8.157 HA :: 4.291 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 2.226 HG3 :: 2.226 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 :: 122.569 Ave N Shift Values>> N :: 120.68(3.68) 2.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 174.257 CA :: 59.163 CB :: 39.485 CD1 :: 132.943 CD2 :: 132.943 CE1 :: 118.053 CE2 :: 118.053 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.618 HA :: 4.401 HB2 :: 3.090 HB3 :: 2.893 HD1 :: 7.105 HD2 :: 7.105 HE1 :: 6.812 HE2 :: 6.812 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 :: 125.071 Ave N Shift Values>> N :: 120.79(4.69) ########################################################################### Overall Results: #Consistent: 113 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 117 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 119 #Suspicious: 0 C Shift Results: #Consistent: 523 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 807 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 1 N Shift Results: #Consistent: 127 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.G18 H = 4.504(S), Expected = 8.34, Std = 0.7400, ChiSquare = 2.1743e-07 1.Y42 H = 11.980(A), Expected = 8.37, Std = 0.7500, ChiSquare = 1.4843e-06 1.Y42 HB3 = 4.169(S), Expected = 2.91, Std = 0.3700, ChiSquare = 6.6723e-04 1.L52 HD11 = -0.833(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.9022e-09 1.L52 HD12 = -0.833(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.9022e-09 1.L52 HD13 = -0.833(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.9022e-09 1.K54 HB3 = 0.753(S), Expected = 1.78, Std = 0.2600, ChiSquare = 7.8151e-05 1.N59 ND2 = 104.198(S), Expected = 112.83, Std = 2.6000, ChiSquare = 9.0017e-04 1.L64 H = 10.919(S), Expected = 8.22, Std = 0.6500, ChiSquare = 3.2914e-05