Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> W 0.17 R 0.14 E 0.13 K 0.12 M 0.11 V 0.1 H 0.09 Q 0.05 I 0.03 C Shift Assignments>> CA :: 58.985 CB :: 31.658 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) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.2 L 0.01 HN Overlap>> 1.A63 1.A63 C Shift Assignments>> C :: 176.979 CA :: 52.570 CB :: 19.660 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.468 HA :: 4.489 HB1 :: 1.401 HB2 :: 1.401 HB3 :: 1.401 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.482 Ave N Shift Values>> N :: 123.23(3.7) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.719 CA :: 59.915 CB :: 72.329 CG2 :: 21.255 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 :: 8.107 HA :: 4.972 HB :: 3.917 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 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 :: 111.561 Ave N Shift Values>> N :: 115.7(5.05) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.892 CA :: 59.957 CB :: 34.993 CG1 :: 20.272 CG2 :: 20.272 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 :: 8.984 HA :: 4.472 HB :: 1.971 HG11 :: 0.796 HG12 :: 0.796 HG13 :: 0.796 HG21 :: 0.796 HG22 :: 0.796 HG23 :: 0.796 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 :: 118.053 Ave N Shift Values>> N :: 121.02(4.96) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.35 M 0.04 G 0.01 C Shift Assignments>> C :: 174.182 CA :: 55.884 CB :: 33.411 CG :: 25.460 CD :: 29.731 CE :: 41.929 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 :: 8.262 HA :: 4.781 HB2 :: 2.289 HB3 :: 1.596 HG2 :: 1.103 HG3 :: 1.103 HD2 :: 1.413 HD3 :: 1.413 HE2 :: 2.844 HE3 :: 2.844 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 :: 123.485 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.39 G 0.03 C Shift Assignments>> C :: 174.057 CA :: 52.670 CB :: 33.090 CG :: 26.747 CD :: 41.885 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 :: 8.956 HA :: 4.698 HB2 :: 1.656 HB3 :: 1.397 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 :: 122.872 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.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 S 0.02 C Shift Assignments>> CA :: 62.344 CB :: 67.508 CG2 :: 22.384 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 :: 9.349 HA :: 5.037 HB :: 3.418 HG21 :: 1.057 HG22 :: 1.057 HG23 :: 1.057 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.296 Ave N Shift Values>> N :: 115.7(5.05) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 A 0.05 C Shift Assignments>> C :: 173.787 CA :: 58.417 CB :: 40.693 CG2 :: 18.140 CD1 :: 13.705 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 :: 9.019 HA :: 5.046 HB :: 1.954 HG12 :: 1.598 HG13 :: 1.598 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 HD11 :: 0.752 HD12 :: 0.752 HD13 :: 0.752 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 :: 118.513 Ave N Shift Values>> N :: 121.6(4.72) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 R 0.23 K 0.19 C Shift Assignments>> C :: 173.585 CA :: 54.440 CB :: 34.941 CG :: 27.281 CD :: 43.802 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 :: 9.025 HA :: 5.094 HB2 :: 1.516 HB3 :: 1.516 HG2 :: 1.310 HG3 :: 1.310 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 :: 123.079 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.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.522 CA :: 60.279 CB :: 37.895 CG2 :: 17.290 CD1 :: 13.288 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 :: 9.379 HA :: 4.585 HB :: 1.799 HG12 :: 0.981 HG13 :: 0.615 HG21 :: 0.132 HG22 :: 0.132 HG23 :: 0.132 HD11 :: 0.132 HD12 :: 0.132 HD13 :: 0.132 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.729 Ave N Shift Values>> N :: 121.6(4.72) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.19 R 0.14 W 0.12 H 0.12 E 0.09 Q 0.07 V 0.02 C Shift Assignments>> C :: 176.218 CA :: 56.535 CB :: 32.186 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 :: 9.528 HA :: 4.761 HB2 :: 1.492 HB3 :: 1.290 HD2 :: 1.075 HD3 :: 1.075 HE2 :: 2.785 HE3 :: 2.785 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 :: 132.162 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.656 CA :: 62.055 CB :: 70.129 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 :: 8.468 HA :: 5.423 HB :: 3.413 HG21 :: 1.176 HG22 :: 1.176 HG23 :: 1.176 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 :: 122.931 Ave N Shift Values>> N :: 115.7(5.05) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 K 0.22 H 0.12 R 0.12 W 0.1 E 0.06 Q 0.04 V 0.01 C Shift Assignments>> CA :: 55.061 CB :: 32.614 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 :: 8.841 HA :: 5.359 HB2 :: 2.059 HB3 :: 2.059 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.439 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 Q 0.16 R 0.14 W 0.13 K 0.13 E 0.12 M 0.07 L 0.01 C Shift Assignments>> C :: 174.466 CA :: 55.027 CB :: 29.695 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 :: 8.903 HA :: 5.058 HB2 :: 2.233 HB3 :: 2.096 HG2 :: 2.913 HG3 :: 2.543 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 :: 117.160 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 K 0.19 R 0.14 H 0.13 W 0.11 E 0.08 Q 0.07 V 0.01 C Shift Assignments>> CA :: 55.320 CB :: 32.160 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 :: 8.417 HA :: 4.697 HB2 :: 3.286 HB3 :: 3.092 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 113.880 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 F 0.17 Y 0.12 C Shift Assignments>> C :: 175.747 CA :: 63.340 CB :: 39.757 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 :: 8.832 HA :: 3.764 HB :: 1.645 HG12 :: 1.831 HG13 :: 1.831 HG21 :: 0.746 HG22 :: 0.746 HG23 :: 0.746 HD11 :: 0.746 HD12 :: 0.746 HD13 :: 0.746 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 :: 122.118 Ave N Shift Values>> N :: 121.6(4.72) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 N 0.26 L 0.16 K 0.05 F 0.04 Y 0.03 R 0.02 C Shift Assignments>> CA :: 51.191 CB :: 41.270 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 :: 8.804 HA :: 4.890 HB2 :: 1.371 HB3 :: 1.371 HG :: 1.800 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.221 Ave N Shift Values>> N :: 121.98(4.07) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.94 I 0.01 R 0.01 C Shift Assignments>> C :: 177.756 CA :: 64.409 CB :: 32.285 CG :: 27.327 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 :: 4.233 HB2 :: 2.268 HB3 :: 1.950 HG2 :: 1.781 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.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 K 0.2 I 0.13 Q 0.08 M 0.03 C Shift Assignments>> C :: 176.262 CA :: 56.859 CB :: 28.803 CG :: 36.253 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 :: 9.258 HA :: 4.233 HB2 :: 2.110 HB3 :: 1.940 HG2 :: 2.238 HG3 :: 2.238 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.546 Ave N Shift Values>> N :: 120.68(3.68) 1.V21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.211 HA :: 3.965 HB :: 1.358 HG11 :: 0.991 HG12 :: 0.991 HG13 :: 0.991 HG21 :: 0.860 HG22 :: 0.860 HG23 :: 0.860 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 :: 123.632 Ave N Shift Values>> N :: 121.02(4.96) 1.P22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.404 HB2 :: 1.768 HB3 :: 1.442 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.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.052 CB :: 32.751 CG1 :: 20.453 CG2 :: 20.453 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 :: 8.345 HA :: 3.713 HB :: 1.086 HG11 :: 0.520 HG12 :: 0.520 HG13 :: 0.520 HG21 :: 0.098 HG22 :: 0.098 HG23 :: 0.098 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 :: 122.629 Ave N Shift Values>> N :: 121.02(4.96) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 I 0.31 K 0.16 Q 0.1 R 0.02 M 0.01 C Shift Assignments>> C :: 175.097 CA :: 57.557 CB :: 26.767 CG :: 36.113 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 :: 8.806 HA :: 3.493 HB2 :: 1.967 HB3 :: 1.740 HG2 :: 1.893 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 :: 124.547 Ave N Shift Values>> N :: 120.68(3.68) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 N 0.25 Y 0.21 F 0.11 E 0.07 D 0.03 C Shift Assignments>> C :: 174.402 CB :: 37.914 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 :: 8.183 HA :: 4.009 HB2 :: 2.675 HB3 :: 2.675 HD21 :: 7.459 HD22 :: 7.459 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 :: 108.361 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.T68 1.T68 H Shift Assignments>> H :: 8.409 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 :: 121.965 Ave N Shift Values>> N :: 120.69(4.18) 1.P28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.99 C Shift Assignments>> C :: 174.493 CA :: 64.036 CB :: 31.797 CG1 :: 22.543 CG2 :: 22.543 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>> HA :: 3.843 HG11 :: 1.076 HG12 :: 1.076 HG13 :: 1.076 HG21 :: 0.953 HG22 :: 0.953 HG23 :: 0.953 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) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.32 G 0.02 C Shift Assignments>> C :: 175.157 CA :: 53.975 CB :: 32.779 CD :: 42.215 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 :: 8.617 HA :: 4.863 HB2 :: 1.348 HB3 :: 1.005 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.224 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.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 Q 0.28 E 0.16 K 0.1 C Shift Assignments>> C :: 174.353 CA :: 54.193 CB :: 31.182 CG :: 34.235 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 :: 8.649 HA :: 4.895 HB2 :: 1.812 HB3 :: 1.412 HG2 :: 2.121 HG3 :: 2.121 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 :: 120.487 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 Q 0.24 K 0.19 E 0.05 H 0.05 R 0.04 W 0.04 N 0.01 Y 0.01 C Shift Assignments>> C :: 174.004 CA :: 53.877 CB :: 33.951 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.095 HA :: 5.824 HB2 :: 3.387 HB3 :: 3.004 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 :: 125.271 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.5 T 0.49 C Shift Assignments>> C :: 173.170 CA :: 55.994 CB :: 67.420 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.435 HA :: 5.745 HB2 :: 3.675 HB3 :: 3.675 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 :: 112.528 Ave N Shift Values>> N :: 116.3(3.95) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.23 I 0.23 K 0.11 L 0.04 R 0.03 D 0.01 C Shift Assignments>> C :: 173.334 CA :: 60.383 CB :: 41.079 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 :: 8.227 HA :: 5.039 HB :: 1.315 HG12 :: 1.661 HG13 :: 1.661 HG21 :: 0.708 HG22 :: 0.708 HG23 :: 0.708 HD11 :: 0.708 HD12 :: 0.708 HD13 :: 0.708 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.397 Ave N Shift Values>> N :: 121.6(4.72) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 E 0.27 Q 0.03 C Shift Assignments>> C :: 173.915 CA :: 54.903 CB :: 33.977 CG :: 35.822 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 :: 8.470 HA :: 4.753 HB2 :: 2.039 HB3 :: 1.871 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 :: 120.736 Ave N Shift Values>> N :: 120.68(3.68) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 G 0.06 C Shift Assignments>> C :: 174.786 CA :: 61.386 CB :: 42.410 CG1 :: 27.386 CG2 :: 17.447 CD1 :: 14.362 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 :: 8.985 HA :: 4.982 HB :: 1.639 HG21 :: 0.815 HG22 :: 0.815 HG23 :: 0.815 HD11 :: 0.527 HD12 :: 0.527 HD13 :: 0.527 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.883 Ave N Shift Values>> N :: 121.6(4.72) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 R 0.14 E 0.14 V 0.11 H 0.09 K 0.09 M 0.08 Q 0.06 I 0.05 P 0.01 C Shift Assignments>> CA :: 59.337 CB :: 31.229 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.667 HA :: 4.899 HG11 :: 0.560 HG12 :: 0.560 HG13 :: 0.560 HG21 :: 0.139 HG22 :: 0.139 HG23 :: 0.139 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.890 Ave N Shift Values>> N :: 121.02(4.96) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.4 A 0.02 HN Overlap>> 1.R99 1.R99 C Shift Assignments>> C :: 173.870 CA :: 53.057 CB :: 46.951 CG :: 26.583 CD1 :: 24.351 CD2 :: 24.351 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 :: 8.495 HA :: 4.874 HB2 :: 1.626 HB3 :: 1.002 HG :: 1.432 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 HD21 :: 0.761 HD22 :: 0.761 HD23 :: 0.761 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 :: 123.379 Ave N Shift Values>> N :: 121.98(4.07) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.29 K 0.06 D 0.06 G 0.05 F 0.05 Y 0.03 I 0.01 C Shift Assignments>> C :: 178.486 CB :: 43.159 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 :: 7.945 HA :: 5.386 HB2 :: 1.154 HB3 :: 1.154 HD11 :: 0.675 HD12 :: 0.675 HD13 :: 0.675 HD21 :: 0.526 HD22 :: 0.526 HD23 :: 0.526 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 :: 119.227 Ave N Shift Values>> N :: 121.98(4.07) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.29 L 0.14 F 0.05 K 0.04 Y 0.04 R 0.01 C Shift Assignments>> C :: 178.112 CA :: 52.099 CB :: 40.770 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 :: 8.982 HA :: 4.599 HB2 :: 3.352 HB3 :: 2.534 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 :: 123.710 Ave N Shift Values>> N :: 120.73(4.2) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 D 0.13 L 0.13 K 0.1 I 0.06 N 0.02 R 0.01 C Shift Assignments>> CA :: 57.198 CB :: 40.329 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 :: 8.329 HA :: 4.357 HB2 :: 2.668 HB3 :: 2.668 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.655 Ave N Shift Values>> N :: 120.73(4.2) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 M 0.17 K 0.08 I 0.06 Q 0.02 C Shift Assignments>> C :: 176.548 CA :: 55.752 CB :: 30.428 CG :: 36.825 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.182 HA :: 4.392 HB2 :: 2.205 HB3 :: 1.957 HG2 :: 2.174 HG3 :: 2.174 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 :: 118.129 Ave N Shift Values>> N :: 120.68(3.68) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> CA :: 45.947 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.109 HA2 :: 4.139 HA3 :: 3.494 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.964 Ave N Shift Values>> N :: 109.91(4.29) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 K 0.21 R 0.12 Q 0.12 H 0.11 W 0.1 E 0.07 V 0.02 C Shift Assignments>> C :: 175.910 CA :: 55.994 CB :: 32.510 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 :: 8.597 HA :: 4.223 HB2 :: 1.887 HB3 :: 1.681 HG2 :: 1.314 HG3 :: 1.314 HD2 :: 1.716 HD3 :: 1.716 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 :: 122.610 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 E 0.15 R 0.15 W 0.15 K 0.11 M 0.06 I 0.01 C Shift Assignments>> C :: 176.644 CA :: 56.533 CB :: 29.909 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 :: 8.233 HA :: 4.593 HB2 :: 1.857 HB3 :: 1.574 HG2 :: 2.472 HG3 :: 2.472 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 :: 119.532 Ave N Shift Values>> N :: 120.68(3.68) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.32 I 0.16 L 0.05 D 0.04 K 0.03 E 0.01 C Shift Assignments>> CA :: 58.667 CB :: 39.888 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 :: 9.517 HA :: 5.397 HG12 :: 1.399 HG13 :: 1.279 HG21 :: 0.512 HG22 :: 0.512 HG23 :: 0.512 HD11 :: 0.512 HD12 :: 0.512 HD13 :: 0.512 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 :: 121.135 Ave N Shift Values>> N :: 121.6(4.72) 1.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 R 0.08 K 0.07 I 0.02 Q 0.02 C Shift Assignments>> C :: 178.663 CA :: 62.549 CB :: 32.316 CG :: 28.138 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 :: 4.541 HB2 :: 2.058 HB3 :: 2.058 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.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.32 C Shift Assignments>> C :: 176.272 CA :: 51.025 CB :: 16.051 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 10.132 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.140 Ave N Shift Values>> N :: 123.23(3.7) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 63.309 CB :: 67.967 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 :: 8.068 HA :: 4.452 HB :: 4.154 HG21 :: 1.192 HG22 :: 1.192 HG23 :: 1.192 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 :: 111.317 Ave N Shift Values>> N :: 115.7(5.05) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 F 0.29 Y 0.29 E 0.02 L 0.01 C Shift Assignments>> C :: 175.268 CA :: 60.156 CB :: 39.120 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.080 HA :: 3.913 HB :: 1.657 HG21 :: 0.608 HG22 :: 0.608 HG23 :: 0.608 HD11 :: 0.267 HD12 :: 0.267 HD13 :: 0.267 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 :: 107.290 Ave N Shift Values>> N :: 121.6(4.72) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.3 Y 0.09 F 0.08 L 0.08 C Shift Assignments>> C :: 174.451 CA :: 53.363 CB :: 39.495 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 :: 7.026 HA :: 5.768 HB2 :: 2.902 HB3 :: 2.724 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 :: 118.103 Ave N Shift Values>> N :: 120.69(4.18) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.2 K 0.15 F 0.12 Y 0.08 D 0.03 G 0.03 I 0.01 C Shift Assignments>> CA :: 58.006 CB :: 42.982 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 :: 8.703 HB2 :: 3.079 HB3 :: 2.656 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.629 Ave N Shift Values>> N :: 120.73(4.2) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 M 0.11 R 0.07 A 0.01 C Shift Assignments>> C :: 172.611 CA :: 55.537 CB :: 34.684 CG :: 24.064 CD :: 29.557 CE :: 40.876 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 :: 7.307 HA :: 4.821 HB2 :: 1.679 HB3 :: 1.538 HG2 :: 0.938 HG3 :: 0.841 HD2 :: 1.901 HE2 :: 2.897 HE3 :: 2.733 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 :: 111.272 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.36 E 0.2 Y 0.19 F 0.11 V 0.06 M 0.02 K 0.02 C Shift Assignments>> C :: 174.150 CA :: 60.565 CB :: 36.587 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 :: 8.704 HA :: 5.387 HB :: 1.329 HG11 :: -0.012 HG12 :: -0.012 HG13 :: -0.012 HG21 :: -0.223(S) HG22 :: -0.223(S) HG23 :: -0.223(S) 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 :: 121.986 Ave N Shift Values>> N :: 121.02(4.96) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 I 0.27 Y 0.19 K 0.1 R 0.07 L 0.02 G 0.01 HN Overlap>> 1.Y56 1.Y56 C Shift Assignments>> C :: 173.579 CA :: 61.446 CB :: 41.770 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 :: 9.001 HA :: 5.151 HB :: 1.303 HG21 :: 0.681 HG22 :: 0.681 HG23 :: 0.681 HD11 :: 0.307 HD12 :: 0.307 HD13 :: 0.307 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 :: 123.441 Ave N Shift Values>> N :: 121.6(4.72) 1.Y56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.29 I 0.1 L 0.09 D 0.07 K 0.07 N 0.01 HN Overlap>> 1.I55 1.I55 C Shift Assignments>> C :: 173.415 CA :: 58.006 CB :: 40.166 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 :: 8.987 HA :: 4.217 HB2 :: 2.142 HB3 :: 2.142 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 :: 123.424 Ave N Shift Values>> N :: 120.79(4.69) 1.H57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.22 L 0.18 Q 0.14 K 0.12 H 0.1 W 0.08 E 0.06 I 0.05 HN Overlap>> 1.V117 1.V117 C Shift Assignments>> CA :: 56.826 CB :: 27.228 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 :: 8.847 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 :: 123.322 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.21 R 0.18 D 0.13 F 0.09 Y 0.07 N 0.01 HN Overlap>> 1.F62 1.F62 C Shift Assignments>> C :: 177.232 CA :: 55.847 CB :: 42.303 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 :: 8.322 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 :: 123.071 Ave N Shift Values>> N :: 121.98(4.07) 1.H59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.15 W 0.15 M 0.14 K 0.13 E 0.13 H 0.12 Q 0.07 V 0.04 I 0.01 C Shift Assignments>> CA :: 57.610 CB :: 31.540 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.544 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.96 R 0.01 C Shift Assignments>> C :: 176.742 CA :: 64.809 CB :: 31.636 CG :: 27.319 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 :: 4.217 HB2 :: 2.202 HB3 :: 1.851 HG2 :: 1.541 HG3 :: 1.541 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.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.123 CA :: 63.462 CB :: 69.574 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 :: 8.230 HA :: 4.101 HG1 :: 7.626 HG21 :: 1.245 HG22 :: 1.245 HG23 :: 1.245 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 :: 111.244 Ave N Shift Values>> N :: 115.7(5.05) 1.F62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.33 I 0.22 L 0.02 E 0.02 D 0.02 HN Overlap>> 1.L58 1.L58 C Shift Assignments>> C :: 175.488 CA :: 58.982 CB :: 39.252 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 :: 8.354 HA :: 4.196 HB2 :: 2.955 HB3 :: 2.782 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.064 Ave N Shift Values>> N :: 120.69(4.18) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.24 HN Overlap>> 1.A3 1.A3 C Shift Assignments>> C :: 178.252 CA :: 52.656 CB :: 18.477 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.454 HA :: 4.090 HB1 :: 1.336 HB2 :: 1.336 HB3 :: 1.336 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.556 Ave N Shift Values>> N :: 123.23(3.7) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 N 0.25 Y 0.21 F 0.12 E 0.06 D 0.03 HN Overlap>> 1.E94 1.E94 C Shift Assignments>> CB :: 37.980 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.066 HA :: 4.547 HB2 :: 2.882 HB3 :: 2.752 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 :: 115.462 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.96 V 0.01 I 0.01 C Shift Assignments>> C :: 175.634 CA :: 65.425 CB :: 31.971 CG :: 27.086 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 :: 3.977 HB2 :: 2.250 HB3 :: 1.861 HG2 :: 2.017 HG3 :: 2.017 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.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.25 Y 0.06 F 0.06 L 0.05 C Shift Assignments>> C :: 174.473 CA :: 52.432 CB :: 39.160 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 :: 7.893 HA :: 5.601 HB2 :: 2.818 HB3 :: 2.239 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 :: 117.734 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.43 G 0.03 C Shift Assignments>> CA :: 54.441 CB :: 32.179 CG :: 25.864 CD :: 42.419 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 :: 8.755 HA :: 4.547 HB2 :: 2.157 HB3 :: 1.972 HG2 :: 1.994 HG3 :: 1.994 HD2 :: 3.315 HD3 :: 3.183 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.572 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.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.F27 1.F27 C Shift Assignments>> C :: 173.701 CA :: 63.409 CB :: 69.663 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 :: 8.421 HA :: 4.869 HB :: 3.737 HG21 :: 0.921 HG22 :: 0.921 HG23 :: 0.921 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 :: 122.028 Ave N Shift Values>> N :: 115.7(5.05) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.21 F 0.1 K 0.1 G 0.07 Y 0.07 D 0.03 I 0.01 C Shift Assignments>> C :: 175.460 CA :: 57.987 CB :: 43.380 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 :: 9.508 HA :: 4.794 HB2 :: 3.679 HB3 :: 2.888 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.628 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 0.99 C Shift Assignments>> C :: 173.239 CA :: 62.290 CB :: 70.274 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 :: 8.839 HA :: 4.865 HB :: 4.642 HG21 :: 1.098 HG22 :: 1.098 HG23 :: 1.098 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 :: 109.755 Ave N Shift Values>> N :: 115.7(5.05) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.24 G 0.19 R 0.1 N 0.08 K 0.04 F 0.02 Y 0.01 HN Overlap>> 1.I88 1.I88 C Shift Assignments>> CA :: 50.782 CB :: 42.735 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 :: 7.820 HA :: 5.313 HB2 :: 2.463 HB3 :: 2.463 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 :: 121.581 Ave N Shift Values>> N :: 120.73(4.2) 1.P72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.49 V 0.45 K 0.01 I 0.01 R 0.01 C Shift Assignments>> C :: 173.615 CA :: 64.416 CB :: 32.028 CG :: 24.837 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 :: 4.825 HB2 :: 2.484 HB3 :: 2.005 HG2 :: 1.865 HG3 :: 1.865 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.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 M 0.17 K 0.15 Q 0.14 Y 0.06 V 0.04 I 0.03 W 0.02 F 0.02 H 0.01 R 0.01 C Shift Assignments>> C :: 173.614 CA :: 57.728 CB :: 35.092 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 :: 9.221 HA :: 3.871 HB2 :: 3.439 HB3 :: 2.805 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 :: 122.322 Ave N Shift Values>> N :: 120.69(4.18) 1.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 K 0.31 G 0.09 C Shift Assignments>> C :: 174.573 CA :: 55.831 CB :: 31.520 CG :: 28.308 CD :: 43.329 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 :: 7.550 HA :: 4.883 HB2 :: 1.556 HB3 :: 1.341 HG2 :: 0.945 HG3 :: 0.945 HD2 :: 3.128 HD3 :: 2.915 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.192 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.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 M 0.01 C Shift Assignments>> C :: 172.057 CA :: 57.916 CB :: 39.075 CG1 :: 28.870 CD1 :: 14.500 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 :: 8.528 HA :: 4.065 HB :: 0.979 HG12 :: 1.550 HG13 :: 0.788 HG21 :: 0.107 HG22 :: 0.107 HG23 :: 0.107 HD11 :: 0.107 HD12 :: 0.107 HD13 :: 0.107 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 :: 127.898 Ave N Shift Values>> N :: 121.6(4.72) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 E 0.38 Q 0.01 C Shift Assignments>> C :: 179.041 CA :: 53.990 CB :: 32.951 CG :: 36.705 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 :: 7.454 HA :: 4.880 HB2 :: 1.643 HB3 :: 1.643 HG2 :: 1.899 HG3 :: 1.899 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 :: 124.852 Ave N Shift Values>> N :: 120.68(3.68) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 R 0.17 M 0.14 W 0.13 Q 0.12 E 0.1 K 0.08 C Shift Assignments>> C :: 174.574 CA :: 54.284 CB :: 30.717 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 :: 8.310 HA :: 4.220 HG2 :: 2.121 HG3 :: 2.121 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.840 Ave N Shift Values>> N :: 120.68(3.68) 1.Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 K 0.24 H 0.1 R 0.08 W 0.07 E 0.03 Q 0.02 N 0.01 C Shift Assignments>> C :: 176.556 CA :: 53.527 CB :: 33.424 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 :: 9.633 HA :: 5.662 HB2 :: 1.839 HG2 :: 2.151 HG3 :: 2.151 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 126.625 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 171.448 CA :: 46.418 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.160 HA2 :: 4.804 HA3 :: 4.353 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.455 Ave N Shift Values>> N :: 109.91(4.29) 1.W81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 H 0.16 R 0.16 K 0.13 W 0.12 E 0.1 Q 0.09 V 0.01 C Shift Assignments>> C :: 175.800 CA :: 55.141 CB :: 31.408 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 :: 7.989 HA :: 5.397 HB2 :: 3.539 HB3 :: 2.859 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 :: 115.961 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.19 R 0.14 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.845 CA :: 44.681 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.304 HA2 :: 4.110 HA3 :: 2.936 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.402 Ave N Shift Values>> N :: 109.91(4.29) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.3 G 0.16 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 172.959 CA :: 43.730 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.990 HA2 :: 3.153 HA3 :: 2.887 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.299 Ave N Shift Values>> N :: 109.91(4.29) 1.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 I 0.22 N 0.17 Y 0.16 F 0.07 M 0.03 K 0.01 D 0.01 V 0.01 C Shift Assignments>> CB :: 36.964 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 :: 7.145 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 :: 115.672 Ave N Shift Values>> N :: 120.69(4.18) 1.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 R 0.07 K 0.04 I 0.01 Q 0.01 C Shift Assignments>> C :: 176.587 CA :: 62.875 CB :: 32.064 CG :: 27.788 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 :: 4.562 HB2 :: 2.281 HB3 :: 1.876 HG2 :: 2.056 HG3 :: 2.056 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.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.08 G 0.05 C Shift Assignments>> C :: 176.955 CA :: 56.320 CB :: 42.709 CG :: 27.220 CD1 :: 24.141 CD2 :: 24.141 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.159 HA :: 4.024 HB2 :: 1.458 HB3 :: 1.345 HG :: 1.427 HD11 :: 0.756 HD12 :: 0.756 HD13 :: 0.756 HD21 :: 0.756 HD22 :: 0.756 HD23 :: 0.756 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 :: 123.249 Ave N Shift Values>> N :: 121.98(4.07) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.13 Y 0.12 F 0.08 E 0.06 M 0.02 L 0.02 C Shift Assignments>> C :: 175.311 CA :: 53.677 CB :: 37.899 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 :: 8.455 HA :: 4.643 HB2 :: 2.736 HB3 :: 2.736 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 :: 117.522 Ave N Shift Values>> N :: 120.73(4.2) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 I 0.28 Y 0.27 K 0.04 L 0.02 D 0.01 HN Overlap>> 1.D71 1.D71 C Shift Assignments>> C :: 176.296 CA :: 60.308 CB :: 40.357 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.914 HA :: 4.468 HB :: 1.537 HG21 :: 0.039 HG22 :: 0.039 HG23 :: 0.039 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 :: 121.521 Ave N Shift Values>> N :: 121.6(4.72) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 F 0.13 Y 0.12 W 0.1 E 0.08 R 0.07 K 0.06 Q 0.05 H 0.05 M 0.04 I 0.03 L 0.02 V 0.02 T 0.02 C Shift Assignments>> CA :: 58.466 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.249 HA :: 5.028 HB2 :: 3.752 HB3 :: 3.411 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 :: 123.868 Ave N Shift Values>> N :: 116.3(3.95) 1.V90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.9 A 0.08 HN Overlap>> 1.Y112 1.Y112 C Shift Assignments>> C :: 173.467 CA :: 58.303 CB :: 31.240 CG1 :: 19.871 CG2 :: 19.871 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 :: 8.593 HG11 :: 0.281 HG12 :: 0.281 HG13 :: 0.281 HG21 :: -0.134(S) HG22 :: -0.134(S) HG23 :: -0.134(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.055 Ave N Shift Values>> N :: 121.02(4.96) 1.F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.3 Y 0.1 F 0.09 L 0.08 K 0.01 C Shift Assignments>> C :: 174.878 CA :: 53.560 CB :: 39.559 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 :: 7.892 HB2 :: 2.907 HB3 :: 2.731 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 :: 121.754 Ave N Shift Values>> N :: 120.69(4.18) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 R 0.3 G 0.17 A 0.01 C Shift Assignments>> C :: 176.842 CA :: 55.147 CB :: 43.719 CG :: 28.586 CD1 :: 25.254 CD2 :: 23.914 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 :: 8.693 HA :: 4.843 HB2 :: 1.824 HB3 :: 1.639 HD11 :: 0.825 HD12 :: 0.825 HD13 :: 0.825 HD21 :: 0.825 HD22 :: 0.825 HD23 :: 0.825 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.304 Ave N Shift Values>> N :: 121.98(4.07) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 R 0.15 G 0.1 A 0.03 C Shift Assignments>> C :: 176.164 CA :: 55.647 CB :: 43.219 CG :: 27.195 CD1 :: 25.132 CD2 :: 22.772 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 :: 7.571 HA :: 4.112 HB2 :: 1.530 HB3 :: 1.530 HD11 :: 0.850 HD12 :: 0.850 HD13 :: 0.850 HD21 :: 0.850 HD22 :: 0.850 HD23 :: 0.850 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.708 Ave N Shift Values>> N :: 121.98(4.07) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 I 0.29 K 0.15 Q 0.06 L 0.01 M 0.01 R 0.01 HN Overlap>> 1.N64 1.N64 C Shift Assignments>> CA :: 56.846 CB :: 26.861 CG :: 36.453 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 :: 8.996 HA :: 3.807 HB2 :: 2.146 HB3 :: 1.947 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 :: 115.390 Ave N Shift Values>> N :: 120.68(3.68) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 K 0.37 L 0.12 G 0.02 C Shift Assignments>> C :: 178.021 CA :: 57.076 CB :: 29.748 CG :: 25.297 CE :: 42.325 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 :: 8.774 HA :: 4.153 HB2 :: 1.945 HB3 :: 1.945 HG2 :: 1.361 HG3 :: 1.361 HD2 :: 1.639 HD3 :: 1.639 HE2 :: 2.936 HE3 :: 2.936 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 :: 113.113 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.31 L 0.01 C Shift Assignments>> C :: 177.663 CA :: 53.656 CB :: 19.436 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.407 HA :: 4.211 HB1 :: 1.440 HB2 :: 1.440 HB3 :: 1.440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.422 Ave N Shift Values>> N :: 123.23(3.7) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 171.530 CA :: 44.895 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.900 HA2 :: 4.398 HA3 :: 3.788 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.696 Ave N Shift Values>> N :: 109.91(4.29) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 K 0.19 H 0.12 Q 0.12 R 0.11 W 0.08 E 0.04 C Shift Assignments>> CA :: 53.921 CB :: 32.598 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 :: 8.346 HA :: 4.764 HB2 :: 1.480 HB3 :: 1.296 HG2 :: 2.075 HG3 :: 2.075 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 :: 121.004 Ave N Shift Values>> N :: 120.68(3.68) 1.R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.31 G 0.04 HN Overlap>> 1.L38 1.L38 C Shift Assignments>> C :: 173.448 CA :: 53.459 CB :: 31.589 CG :: 27.026 CD :: 42.518 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 :: 8.492 HA :: 4.541 HB2 :: 1.508 HB3 :: 1.508 HG2 :: 1.195 HG3 :: 1.195 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 :: 123.310 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.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.21 M 0.04 C Shift Assignments>> C :: 175.620 CA :: 55.525 CB :: 33.645 CG :: 24.926 CD :: 29.314 CE :: 41.534 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 :: 8.532 HA :: 4.926 HB2 :: 1.459 HB3 :: 1.459 HG2 :: 1.084 HG3 :: 1.084 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 :: 124.376 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 L 0.13 K 0.12 D 0.11 I 0.06 N 0.02 R 0.01 C Shift Assignments>> CA :: 57.392 CB :: 40.481 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 :: 9.478 HA :: 5.384 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 129.033 Ave N Shift Values>> N :: 121.6(4.72) 1.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.45 P 0.37 I 0.04 W 0.04 R 0.01 K 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 176.728 CA :: 62.577 CB :: 32.479 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.049 HB2 :: 2.299 HB3 :: 1.966 HG2 :: 2.138 HG3 :: 2.138 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.H103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.26 M 0.22 K 0.16 Q 0.15 Y 0.05 N 0.02 W 0.02 H 0.01 F 0.01 V 0.01 R 0.01 I 0.01 C Shift Assignments>> C :: 171.967 CA :: 55.911 CB :: 35.203 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 :: 8.892 HA :: 4.858 HB2 :: 2.702 HB3 :: 2.702 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 :: 121.234 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.21 D 0.18 K 0.09 G 0.05 F 0.04 Y 0.03 N 0.02 C Shift Assignments>> C :: 173.879 CA :: 53.746 CB :: 43.026 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.923 HA :: 4.506 HB2 :: 2.194 HB3 :: 2.194 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 :: 125.151 Ave N Shift Values>> N :: 120.73(4.2) 1.L105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.42 A 0.26 L 0.17 K 0.12 M 0.01 C Shift Assignments>> C :: 172.993 CA :: 53.281 CB :: 41.073 CG :: 30.038 CD1 :: 26.391 CD2 :: 22.745 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 :: 7.606 HA :: 3.912 HB2 :: 0.875 HB3 :: 0.080(S) HD11 :: -0.057 HD12 :: -0.057 HD13 :: -0.057 HD21 :: -0.649(S) HD22 :: -0.649(S) HD23 :: -0.649(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.715 Ave N Shift Values>> N :: 121.98(4.07) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 N 0.21 L 0.19 K 0.06 F 0.04 R 0.03 Y 0.03 G 0.01 C Shift Assignments>> C :: 172.490 CA :: 51.271 CB :: 41.535 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 :: 8.000 HA :: 3.917 HB2 :: 2.230 HB3 :: 2.230 HD21 :: 6.800 HD22 :: 7.178 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 :: 123.454 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.09 Y 0.08 F 0.05 E 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 176.845 CA :: 52.534 CB :: 37.570 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 :: 8.157 HA :: 5.132 HB2 :: 3.182 HB3 :: 2.599 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.327 Ave N Shift Values>> N :: 120.69(4.18) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.11 A 0.01 G 0.01 C Shift Assignments>> C :: 177.243 CA :: 57.314 CB :: 41.838 CG :: 27.549 CD1 :: 24.505 CD2 :: 22.681 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.179 HA :: 4.009 HB2 :: 1.525 HB3 :: 1.402 HD11 :: 0.728 HD12 :: 0.728 HD13 :: 0.728 HD21 :: 0.728 HD22 :: 0.728 HD23 :: 0.728 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 :: 120.695 Ave N Shift Values>> N :: 121.98(4.07) 1.Q109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 P 0.2 I 0.18 L 0.15 Q 0.07 K 0.05 H 0.04 W 0.03 E 0.02 C Shift Assignments>> C :: 174.863 CB :: 27.228 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 :: 7.671 HA :: 5.181 HB2 :: 1.823 HB3 :: 1.823 HG2 :: 2.277 HG3 :: 2.064 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 113.799 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.2 E 0.16 R 0.14 H 0.1 I 0.09 Q 0.09 K 0.07 V 0.06 M 0.04 HN Overlap>> 1.I120 1.I120 C Shift Assignments>> C :: 175.675 CA :: 59.387 CB :: 30.309 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.071 HA :: 4.444 HB2 :: 2.217 HB3 :: 2.141 HG2 :: 2.432 HG3 :: 2.432 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 :: 121.468 Ave N Shift Values>> N :: 120.68(3.68) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.998 CB :: 65.050 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.558 HA :: 5.378 HB2 :: 3.912 HB3 :: 3.912 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 :: 108.638 Ave N Shift Values>> N :: 116.3(3.95) 1.Y112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.29 D 0.1 I 0.09 L 0.06 N 0.05 E 0.03 HN Overlap>> 1.V90 1.V90 C Shift Assignments>> C :: 174.409 CA :: 57.130 CB :: 39.150 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 :: 8.590 HA :: 4.880 HB2 :: 3.216 HB3 :: 2.887 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 :: 117.144 Ave N Shift Values>> N :: 120.79(4.69) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 E 0.41 Q 0.01 I 0.01 C Shift Assignments>> C :: 175.001 CA :: 55.100 CB :: 33.291 CG :: 36.535 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 :: 9.095 HA :: 5.362 HB2 :: 2.015 HB3 :: 1.677 HG2 :: 2.149 HG3 :: 2.149 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 :: 122.200 Ave N Shift Values>> N :: 120.68(3.68) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 V 0.2 E 0.16 Y 0.12 F 0.05 K 0.03 M 0.03 Q 0.01 P 0.01 W 0.01 C Shift Assignments>> C :: 174.209 CA :: 61.312 CB :: 35.779 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 :: 8.450 HA :: 4.458 HB :: 2.037 HG11 :: 1.193 HG12 :: 1.193 HG13 :: 1.193 HG21 :: 1.026 HG22 :: 1.026 HG23 :: 1.026 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.218 Ave N Shift Values>> N :: 121.02(4.96) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 M 0.38 I 0.03 K 0.01 C Shift Assignments>> C :: 175.678 CA :: 54.978 CB :: 32.008 CG :: 37.153 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 :: 8.498 HA :: 5.491 HB2 :: 1.733 HB3 :: 1.733 HG2 :: 2.107 HG3 :: 2.107 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 :: 125.229 Ave N Shift Values>> N :: 120.68(3.68) 1.H116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 M 0.21 K 0.12 Y 0.08 Q 0.08 N 0.06 F 0.03 I 0.01 W 0.01 H 0.01 C Shift Assignments>> C :: 173.543 CA :: 55.451 CB :: 35.682 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 :: 8.646 HA :: 4.742 HB2 :: 2.878 HB3 :: 2.452 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 :: 118.488 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.H57 1.H57 C Shift Assignments>> CA :: 62.160 CB :: 32.413 CG1 :: 21.491 CG2 :: 21.491 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 :: 8.850 HA :: 4.712 HB :: 1.913 HG11 :: 0.923 HG12 :: 0.923 HG13 :: 0.923 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 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 :: 123.308 Ave N Shift Values>> N :: 121.02(4.96) 1.I118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 C Shift Assignments>> C :: 173.608 CA :: 58.651 CB :: 40.940 CG1 :: 26.587 CG2 :: 16.821 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 :: 9.465 HA :: 4.580 HB :: 1.691 HG12 :: 1.375 HG13 :: 1.116 HG21 :: 0.778 HG22 :: 0.778 HG23 :: 0.778 HD11 :: 0.778 HD12 :: 0.778 HD13 :: 0.778 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 :: 125.797 Ave N Shift Values>> N :: 121.6(4.72) 1.Q119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 Q 0.17 K 0.14 R 0.13 W 0.13 E 0.11 M 0.06 L 0.02 C Shift Assignments>> C :: 175.690 CA :: 54.561 CB :: 29.514 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 :: 8.603 HA :: 5.004 HB2 :: 2.502 HB3 :: 2.049 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 :: 123.092 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.31 I 0.1 D 0.09 L 0.07 N 0.03 E 0.02 K 0.02 HN Overlap>> 1.E110 1.E110 C Shift Assignments>> CA :: 57.461 CB :: 39.471 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 :: 9.072 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 :: 121.573 Ave N Shift Values>> N :: 121.6(4.72) 1.P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.43 P 0.4 I 0.05 W 0.04 R 0.01 K 0.01 E 0.01 C Shift Assignments>> C :: 176.050 CA :: 62.748 CB :: 32.278 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 :: 4.874 HB2 :: 2.263 HB3 :: 2.018 HG2 :: 1.785 HG3 :: 1.785 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.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 K 0.19 L 0.13 G 0.07 C Shift Assignments>> C :: 174.009 CA :: 56.129 CB :: 42.762 CD1 :: 27.710 CD2 :: 27.710 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 :: 8.928 HA :: 4.982 HB2 :: 2.036 HB3 :: 1.857 HG :: 1.630 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 HD21 :: 0.641 HD22 :: 0.641 HD23 :: 0.641 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 :: 120.404 Ave N Shift Values>> N :: 121.98(4.07) 1.N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.14 Y 0.11 F 0.08 E 0.04 L 0.02 M 0.02 C Shift Assignments>> C :: 176.235 CA :: 53.483 CB :: 38.010 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 :: 7.824 HA :: 5.382 HB2 :: 2.383 HB3 :: 2.276 HD21 :: 6.604 HD22 :: 6.973 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 :: 118.697 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L124 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E125 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H126 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H127 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H128 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H129 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H130 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H131 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 128 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 116 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 15 Shift Relative Order (SRO) Results: #Consistent: 131 #Suspicious: 0 C Shift Results: #Consistent: 392 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 679 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 107 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V54 HG21 = -0.223(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.8229e-04 1.V54 HG22 = -0.223(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.8229e-04 1.V54 HG23 = -0.223(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.8229e-04 1.V90 HG21 = -0.134(S), Expected = 0.83, Std = 0.2900, ChiSquare = 8.8692e-04 1.V90 HG22 = -0.134(S), Expected = 0.83, Std = 0.2900, ChiSquare = 8.8692e-04 1.V90 HG23 = -0.134(S), Expected = 0.83, Std = 0.2900, ChiSquare = 8.8692e-04 1.L105 HB3 = 0.080(S), Expected = 1.57, Std = 0.3600, ChiSquare = 3.4899e-05 1.L105 HD21 = -0.649(S), Expected = 0.76, Std = 0.2800, ChiSquare = 4.8503e-07 1.L105 HD22 = -0.649(S), Expected = 0.76, Std = 0.2800, ChiSquare = 4.8503e-07 1.L105 HD23 = -0.649(S), Expected = 0.76, Std = 0.2800, ChiSquare = 4.8503e-07