Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.5 I 0.35 A 0.13 C Shift Assignments>> CE :: 16.890 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HE1 :: 2.107 HE2 :: 2.107 HE3 :: 2.107 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.31 K 0.25 C 0.23 M 0.09 E 0.07 R 0.02 C Shift Assignments>> C :: 175.240 CA :: 55.688 CB :: 29.642 CG :: 33.827 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> HA :: 4.368 HB2 :: 1.995 HB3 :: 2.084 HG2 :: 2.072 HG3 :: 2.382 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 C 0.01 C Shift Assignments>> C :: 177.330 CA :: 52.309 CB :: 19.368 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.499 HA :: 4.311 HB1 :: 1.366 HB2 :: 1.366 HB3 :: 1.366 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.679 Ave N Shift Values>> N :: 123.23(3.54) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 C 0.31 R 0.08 HN Overlap>> 1.K94 1.K94 C Shift Assignments>> CA :: 54.090 CB :: 32.376 CG :: 24.831 CD :: 29.410 CE :: 41.960 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.319 HA :: 4.563 HB2 :: 1.680 HB3 :: 1.844 HG2 :: 1.481 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.322 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 175.750 CA :: 63.027 CB :: 32.097 CG :: 27.465 CD :: 50.591 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.440 HB2 :: 1.729 HB3 :: 2.129 HG2 :: 1.894 HG3 :: 1.961 HD2 :: 3.623 HD3 :: 3.825 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 C 0.27 Q 0.16 E 0.01 K 0.01 C Shift Assignments>> C :: 175.530 CA :: 54.046 CB :: 32.079 CG :: 33.457 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.300 HA :: 4.575 HB2 :: 2.037 HB3 :: 1.810 HG2 :: 2.301 HG3 :: 2.351 HE21 :: 7.455 HE22 :: 6.891 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.538 NE2 :: 112.600 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.44 C Shift Assignments>> CA :: 60.105 CB :: 38.994 CG1 :: 28.905 CG2 :: 16.795 CD1 :: 12.153 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.583 HA :: 4.251 HB :: 1.721 HG12 :: 0.672 HG13 :: 1.614 HG21 :: 1.070 HG22 :: 1.070 HG23 :: 1.070 HD11 :: 0.142 HD12 :: 0.142 HD13 :: 0.142 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.023 Ave N Shift Values>> N :: 121.46(4.28) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 176.970 CA :: 64.933 CB :: 32.197 CG :: 28.070 CD :: 50.611 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.259 HB2 :: 2.014 HB3 :: 2.376 HG2 :: 2.004 HG3 :: 2.176 HD2 :: 3.904 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.37 R 0.18 HN Overlap>> 1.D118 1.D118 C Shift Assignments>> C :: 177.250 CA :: 56.435 CB :: 32.530 CG :: 25.044 CD :: 28.668 CE :: 42.156 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.225 HA :: 4.270 HB2 :: 1.778 HB3 :: 1.907 HG2 :: 1.517 HG3 :: 1.582 HD2 :: 1.717 HE2 :: 3.039 HE3 :: 3.039 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.660 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.22 N 0.14 K 0.09 F 0.06 C 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 176.650 CA :: 53.190 CB :: 41.349 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.431 HA :: 4.604 HB2 :: 2.815 HB3 :: 2.631 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.815 Ave N Shift Values>> N :: 120.65(3.86) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.36 R 0.22 G 0.01 HN Overlap>> 1.Q114 1.Q114 C Shift Assignments>> C :: 175.770 CA :: 58.103 CB :: 31.758 CG :: 25.750 CD :: 29.037 CE :: 42.365 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.493 HA :: 3.907 HB2 :: 1.785 HB3 :: 2.099 HG2 :: 1.515 HG3 :: 1.659 HD2 :: 1.660 HD3 :: 1.606 HE2 :: 3.149 HE3 :: 3.112 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.165 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 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 :: 174.080 CA :: 58.527 CB :: 64.762 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.678 HA :: 4.303 HB2 :: 3.784 HB3 :: 4.087 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.394 Ave N Shift Values>> N :: 116.28(3.52) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.32 R 0.12 G 0.01 C Shift Assignments>> C :: 174.050 CA :: 54.713 CB :: 33.820 CG :: 25.188 CD :: 28.941 CE :: 42.152 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.620 HA :: 4.517 HB2 :: 1.833 HG2 :: 1.474 HG3 :: 1.340 HD2 :: 1.712 HE2 :: 3.035 HE3 :: 3.035 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.407 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 HN Overlap>> 1.R67 1.R67 C Shift Assignments>> C :: 176.720 CA :: 63.991 CB :: 32.697 CG1 :: 23.115 CG2 :: 22.275 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.821 HA :: 2.900 HB :: 1.719 HG11 :: 0.682 HG12 :: 0.682 HG13 :: 0.682 HG21 :: 0.507 HG22 :: 0.507 HG23 :: 0.507 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.792 Ave N Shift Values>> N :: 121.14(4.54) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 L 0.32 C 0.09 C Shift Assignments>> C :: 176.960 CA :: 52.340 CB :: 21.979 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.307 HA :: 4.401 HB1 :: 1.449 HB2 :: 1.449 HB3 :: 1.449 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.347 Ave N Shift Values>> N :: 123.23(3.54) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 170.170 CA :: 45.522 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.405 HA2 :: 4.030 HA3 :: 4.157 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.404 Ave N Shift Values>> N :: 109.67(3.87) 1.Y17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.22 G 0.07 C Shift Assignments>> C :: 174.370 CA :: 57.439 CB :: 42.924 CD1 :: 133.193 CD2 :: 133.193 CE1 :: 118.224 CE2 :: 118.224 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.917 HA :: 5.285 HB2 :: 2.706 HB3 :: 2.812 HD1 :: 6.847 HD2 :: 6.847 HE1 :: 6.705 HE2 :: 6.705 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.528 Ave N Shift Values>> N :: 120.52(4.2) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 I 0.12 A 0.04 G 0.03 C Shift Assignments>> C :: 172.860 CA :: 57.480 CB :: 42.581 CG1 :: 29.374 CG2 :: 16.895 CD1 :: 15.158 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.468 HA :: 5.575 HB :: 1.413 HG12 :: 0.920 HG13 :: 1.414 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 HD11 :: 0.551 HD12 :: 0.551 HD13 :: 0.551 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.131 Ave N Shift Values>> N :: 121.46(4.28) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.21 E 0.09 C Shift Assignments>> C :: 175.910 CA :: 54.340 CB :: 33.870 CG :: 36.427 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.336 HA :: 5.481 HB2 :: 2.136 HG2 :: 2.130 HG3 :: 2.320 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.401 Ave N Shift Values>> N :: 120.67(3.48) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.47 A 0.01 C Shift Assignments>> CA :: 58.423 CB :: 39.658 CG1 :: 27.982 CG2 :: 18.205 CD1 :: 15.181 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.791 HA :: 4.995 HB :: 1.877 HG12 :: 0.979 HG13 :: 1.437 HG21 :: 0.741 HG22 :: 0.741 HG23 :: 0.741 HD11 :: 0.429 HD12 :: 0.429 HD13 :: 0.429 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.571 Ave N Shift Values>> N :: 121.46(4.28) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 180.260 CA :: 66.040 CB :: 32.103 CG :: 27.439 CD :: 50.689 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.597 HB2 :: 2.202 HB3 :: 2.522 HG2 :: 2.211 HG3 :: 2.337 HD2 :: 3.605 HD3 :: 4.223 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.23 D 0.14 L 0.12 C 0.11 I 0.04 N 0.04 K 0.02 C Shift Assignments>> C :: 175.920 CA :: 56.904 CB :: 40.129 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.847 HA :: 4.430 HB2 :: 2.436 HB3 :: 2.745 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.233 Ave N Shift Values>> N :: 120.65(3.86) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 L 0.14 C 0.09 C Shift Assignments>> C :: 175.850 CA :: 50.045 CB :: 21.971 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.499 HA :: 4.514 HB1 :: 1.140 HB2 :: 1.140 HB3 :: 1.140 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.465 Ave N Shift Values>> N :: 123.23(3.54) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.19 Y 0.17 L 0.13 N 0.12 C 0.1 I 0.02 K 0.01 C Shift Assignments>> C :: 174.610 CA :: 55.609 CB :: 39.919 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.103 HA :: 4.317 HB2 :: 3.076 HB3 :: 2.545 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.319 Ave N Shift Values>> N :: 120.65(3.86) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 C Shift Assignments>> C :: 176.540 CA :: 60.980 CB :: 40.753 CG1 :: 28.038 CG2 :: 16.439 CD1 :: 15.319 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.081 HA :: 4.414 HB :: 1.436 HG12 :: 1.303 HG13 :: 1.712 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 HD11 :: 0.662 HD12 :: 0.662 HD13 :: 0.662 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.375 Ave N Shift Values>> N :: 121.46(4.28) 1.K26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> K 0.44 C 0.4 R 0.14 C Shift Assignments>> C :: 175.010 CA :: 56.936 CB :: 33.730 CG :: 25.279 CD :: 29.639 CE :: 41.968 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.440 HA :: 5.072 HB2 :: 1.895 HB3 :: 1.764 HG2 :: 1.464 HG3 :: 1.309 HD2 :: 1.607 HD3 :: 1.534 HE2 :: 2.833 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 133.878(S) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 M 0.17 E 0.02 C Shift Assignments>> CA :: 52.440 CB :: 34.397 CG :: 35.888 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.941 HA :: 5.242 HB2 :: 1.418 HB3 :: 2.080 HG2 :: 2.006 HG3 :: 2.291 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.836 Ave N Shift Values>> N :: 120.67(3.48) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.53 C 0.46 C Shift Assignments>> C :: 174.590 CA :: 61.601 CB :: 32.693 CG :: 27.011 CD :: 50.885 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.269 HB2 :: 1.508 HB3 :: 1.943 HG2 :: 2.238 HG3 :: 2.381 HD2 :: 3.911 HD3 :: 4.143 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 174.930 CA :: 60.019 CB :: 33.542 CG1 :: 21.273 CG2 :: 21.316 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.235 HA :: 4.224 HB :: 1.158 HG11 :: 0.525 HG12 :: 0.525 HG13 :: 0.525 HG21 :: -0.064 HG22 :: -0.064 HG23 :: -0.064 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.301 Ave N Shift Values>> N :: 121.14(4.54) 1.Y30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> CA :: 57.678 CB :: 38.442 CD1 :: 133.311 CD2 :: 133.311 CE1 :: 117.835 CE2 :: 117.835 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.292 HA :: 4.657 HB2 :: 2.797 HB3 :: 2.916 HD1 :: 6.904 HD2 :: 6.904 HE1 :: 6.575 HE2 :: 6.575 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 127.543 Ave N Shift Values>> N :: 120.52(4.2) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.9 P 0.08 S 0.01 C Shift Assignments>> C :: 174.470 CA :: 63.901 CB :: 33.651 CG :: 30.047 CD :: 51.741 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.501 HB2 :: 1.809 HB3 :: 2.644 HG2 :: 2.536 HG3 :: 1.827 HD2 :: 3.731 HD3 :: 4.550 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.720 CA :: 44.575 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.701 HA2 :: 3.425 HA3 :: 4.264 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.993 Ave N Shift Values>> N :: 109.67(3.87) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.98 C Shift Assignments>> C :: 176.030 CA :: 61.581 CB :: 35.019 CG :: 24.144 CD :: 50.027 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.037 HB2 :: 2.179 HB3 :: 2.445 HG2 :: 1.953 HG3 :: 2.059 HD2 :: 3.446 HD3 :: 3.646 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.15 C Shift Assignments>> C :: 176.520 CA :: 51.693 CB :: 17.899 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.422 HA :: 4.280 HB1 :: 1.068 HB2 :: 1.068 HB3 :: 1.068 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.690 Ave N Shift Values>> N :: 123.23(3.54) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.62 C 0.36 S 0.01 C Shift Assignments>> CA :: 59.592 CB :: 68.387 CG2 :: 22.724 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.732 HA :: 4.673 HB :: 4.772 HG21 :: 1.306 HG22 :: 1.306 HG23 :: 1.306 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.816 Ave N Shift Values>> N :: 115.42(4.75) 1.P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.25 C Shift Assignments>> C :: 178.690 CA :: 66.303 CB :: 31.644 CG :: 25.577 CD :: 50.583 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.219 HB2 :: 1.923 HB3 :: 2.439 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.28 I 0.27 K 0.03 C Shift Assignments>> C :: 178.900 CA :: 59.839 CB :: 29.269 CG :: 36.845 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.375 HA :: 3.994 HB2 :: 1.899 HB3 :: 2.033 HG2 :: 2.222 HG3 :: 2.326 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.969 Ave N Shift Values>> N :: 120.67(3.48) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.3 Q 0.18 M 0.09 R 0.09 HN Overlap>> 1.L75 1.L75 C Shift Assignments>> C :: 178.920 CA :: 57.879 CB :: 29.175 CG :: 32.352 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.766 HA :: 4.414 HB2 :: 2.188 HB3 :: 2.155 HG2 :: 2.472 HG3 :: 2.948 HE21 :: 8.221 HE22 :: 7.669 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.421 NE2 :: 113.072 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.35 R 0.03 A 0.01 C Shift Assignments>> C :: 178.720 CA :: 56.031 CB :: 41.341 CG :: 27.474 CD1 :: 25.576 CD2 :: 23.162 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.370 HA :: 4.669 HB2 :: 1.466 HB3 :: 1.012 HG :: 1.246 HD11 :: 0.113 HD12 :: 0.113 HD13 :: 0.113 HD21 :: 0.470 HD22 :: 0.470 HD23 :: 0.470 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.740 Ave N Shift Values>> N :: 121.86(3.9) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 Y 0.16 F 0.14 C 0.14 D 0.13 L 0.05 E 0.02 I 0.01 M 0.01 C Shift Assignments>> C :: 177.680 CA :: 54.958 CB :: 38.560 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.433 HA :: 4.626 HB2 :: 2.920 HB3 :: 2.786 HD21 :: 6.916 HD22 :: 7.639 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.479 ND2 :: 112.599 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.39 G 0.14 L 0.02 K 0.01 C Shift Assignments>> C :: 176.820 CA :: 58.090 CB :: 29.361 CG :: 27.092 CD :: 43.933 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.729 HA :: 3.960 HB2 :: 1.044 HB3 :: 1.463 HG2 :: 0.797 HG3 :: 1.328 HD2 :: 2.565 HD3 :: 2.750 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.156 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 171.230 CA :: 46.084 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.796 HA2 :: 4.094 HA3 :: 3.883 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.805 Ave N Shift Values>> N :: 109.67(3.87) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 175.310 CA :: 63.294 CB :: 29.968 CG1 :: 22.146 CG2 :: 20.968 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.417 HA :: 3.742 HB :: 1.834 HG11 :: 0.096 HG12 :: 0.096 HG13 :: 0.096 HG21 :: 0.347 HG22 :: 0.347 HG23 :: 0.347 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.074 Ave N Shift Values>> N :: 121.14(4.54) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 S 0.04 C Shift Assignments>> C :: 173.830 CA :: 57.576 CB :: 68.363 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.076 HA :: 5.469 HB2 :: 3.113 HB3 :: 3.566 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.433 Ave N Shift Values>> N :: 116.28(3.52) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.44 C Shift Assignments>> C :: 175.380 CA :: 59.256 CB :: 38.173 CD1 :: 132.861 CD2 :: 132.861 CE1 :: 130.474 CE2 :: 130.474 CZ :: 129.105 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.763 HA :: 4.844 HB2 :: 2.857 HB3 :: 3.315 HD1 :: 7.358 HD2 :: 7.358 HE1 :: 6.862 HE2 :: 6.862 HZ :: 6.617 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.559 Ave N Shift Values>> N :: 120.45(4.18) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.38 I 0.04 C 0.03 C Shift Assignments>> C :: 179.960 CA :: 55.518 CB :: 18.536 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.802 HA :: 3.851 HB1 :: 1.230 HB2 :: 1.230 HB3 :: 1.230 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.994 Ave N Shift Values>> N :: 123.23(3.54) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 M 0.12 E 0.07 C Shift Assignments>> C :: 176.610 CA :: 54.572 CB :: 33.717 CG :: 37.610 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.045 HA :: 4.641 HB2 :: 1.869 HB3 :: 2.309 HG2 :: 2.076 HG3 :: 2.150 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.261 Ave N Shift Values>> N :: 120.67(3.48) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.37 M 0.07 Q 0.06 I 0.05 K 0.05 C Shift Assignments>> C :: 176.260 CA :: 58.659 CB :: 30.345 CG :: 35.961 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.220 HA :: 3.605 HB2 :: 1.927 HB3 :: 1.968 HG2 :: 2.170 HG3 :: 2.297 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.843 Ave N Shift Values>> N :: 120.67(3.48) 1.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 C 0.16 Y 0.04 M 0.04 E 0.04 D 0.04 F 0.03 C Shift Assignments>> C :: 174.530 CA :: 52.322 CB :: 37.179 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.288 HA :: 4.813 HB2 :: 2.808 HD21 :: 7.542 HD22 :: 6.873 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.278 ND2 :: 112.462 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.31 K 0.11 Q 0.07 M 0.04 I 0.02 C Shift Assignments>> C :: 173.650 CA :: 55.656 CB :: 29.497 CG :: 36.231 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.604 HA :: 4.248 HB2 :: 2.254 HB3 :: 1.430 HG2 :: 2.111 HG3 :: 1.629 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.295 Ave N Shift Values>> N :: 120.67(3.48) 1.S51 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 :: 174.920 CA :: 55.810 CB :: 65.607 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.595 HA :: 4.711 HB2 :: 3.626 HB3 :: 3.782 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.204 Ave N Shift Values>> N :: 116.28(3.52) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.44 A 0.03 C Shift Assignments>> C :: 177.180 CA :: 55.921 CB :: 40.169 CG :: 27.038 CD1 :: 22.851 CD2 :: 25.743 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.778 HA :: 4.295 HB2 :: 1.519 HB3 :: 1.838 HG :: 1.672 HD11 :: 0.829 HD12 :: 0.829 HD13 :: 0.829 HD21 :: 0.713 HD22 :: 0.713 HD23 :: 0.713 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.411 Ave N Shift Values>> N :: 121.86(3.9) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.26 K 0.16 R 0.07 F 0.07 Y 0.04 N 0.04 C 0.04 C Shift Assignments>> C :: 176.010 CA :: 54.281 CB :: 41.950 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.261 HA :: 4.867 HB2 :: 2.848 HB3 :: 2.456 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.958 Ave N Shift Values>> N :: 120.65(3.86) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 F 0.15 Y 0.13 N 0.1 C 0.07 K 0.05 I 0.01 C Shift Assignments>> C :: 176.670 CA :: 55.256 CB :: 40.519 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.326 HA :: 4.392 HB2 :: 2.825 HB3 :: 3.035 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.643 Ave N Shift Values>> N :: 120.65(3.86) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.16 Q 0.13 R 0.08 I 0.05 E 0.02 C Shift Assignments>> C :: 175.280 CA :: 59.550 CB :: 26.428 CG :: 34.113 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> HA :: 3.992 HB2 :: 1.968 HB3 :: 2.253 HG2 :: 2.180 HG3 :: 2.598 HE21 :: 7.435 HE22 :: 6.138 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.949 NE2 :: 110.140 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.11 C 0.09 F 0.03 Y 0.03 L 0.02 C Shift Assignments>> C :: 175.060 CA :: 51.118 CB :: 38.460 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.272 HA :: 5.094 HB2 :: 2.820 HD21 :: 6.934 HD22 :: 6.269 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.264 ND2 :: 107.846 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 174.360 CA :: 61.017 CB :: 38.941 CG1 :: 27.578 CG2 :: 17.648 CD1 :: 14.875 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.140 HA :: 4.276 HB :: 1.686 HG12 :: 1.091 HG13 :: 1.609 HG21 :: 0.684 HG22 :: 0.684 HG23 :: 0.684 HD11 :: 0.950 HD12 :: 0.950 HD13 :: 0.950 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 132.871 Ave N Shift Values>> N :: 121.46(4.28) 1.S58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.820 CA :: 57.523 CB :: 64.172 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.370 HA :: 5.809(S) HB2 :: 3.999 HB3 :: 3.390 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.550 Ave N Shift Values>> N :: 116.28(3.52) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.47 G 0.02 C Shift Assignments>> C :: 172.420 CA :: 61.282 CB :: 42.311 CG1 :: 27.750 CG2 :: 18.680 CD1 :: 14.186 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.283 HA :: 4.257 HB :: 1.423 HG12 :: 0.473 HG13 :: 1.334 HG21 :: 0.459 HG22 :: 0.459 HG23 :: 0.459 HD11 :: 0.201 HD12 :: 0.201 HD13 :: 0.201 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.136 Ave N Shift Values>> N :: 121.46(4.28) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 L 0.31 C 0.18 G 0.02 K 0.01 C Shift Assignments>> C :: 174.470 CA :: 49.721 CB :: 22.858 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.194 HA :: 5.626 HB1 :: 0.929 HB2 :: 0.929 HB3 :: 0.929 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.776 Ave N Shift Values>> N :: 123.23(3.54) 1.G61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.44 L 0.25 R 0.15 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.770 CA :: 44.378 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.993 HA2 :: 2.633(S) HA3 :: 4.008 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.548 Ave N Shift Values>> N :: 109.67(3.87) 1.H62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 H 0.33 W 0.27 C Shift Assignments>> C :: 175.030 CA :: 56.512 CB :: 32.223 CD2 :: 122.331 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.169 HA :: 4.648 HB2 :: 2.656 HB3 :: 2.495 HD2 :: 7.085 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.886 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 C 0.28 S 0.01 C Shift Assignments>> C :: 172.790 CA :: 58.820 CB :: 68.221 CG2 :: 21.563 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.789 HB :: 4.179 HG21 :: 1.278 HG22 :: 1.278 HG23 :: 1.278 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 125.520 Ave N Shift Values>> N :: 115.42(4.75) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.79 C 0.18 G 0.01 C Shift Assignments>> C :: 175.960 CA :: 55.653 CB :: 42.154 CD1 :: 131.582 CD2 :: 131.582 CE1 :: 131.638 CE2 :: 131.637 CZ :: 128.863 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.787 HA :: 5.107 HB2 :: 2.862 HB3 :: 3.223 HD1 :: 7.145 HD2 :: 7.145 HE1 :: 7.016 HE2 :: 7.016 HZ :: 6.785 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.400 Ave N Shift Values>> N :: 120.45(4.18) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 176.130 CA :: 63.293 CB :: 38.464 CG1 :: 27.793 CG2 :: 17.721 CD1 :: 13.630 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.731 HA :: 3.997 HB :: 1.930 HG12 :: 1.493 HG13 :: 1.315 HG21 :: 0.983 HG22 :: 0.983 HG23 :: 0.983 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.692 Ave N Shift Values>> N :: 121.46(4.28) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.2 L 0.16 F 0.1 Y 0.08 C 0.06 K 0.03 C Shift Assignments>> C :: 175.730 CA :: 54.001 CB :: 40.467 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.432 HA :: 4.610 HB2 :: 2.679 HB3 :: 2.733 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.254 Ave N Shift Values>> N :: 120.65(3.86) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 G 0.3 R 0.28 K 0.05 HN Overlap>> 1.V14 1.V14 C Shift Assignments>> C :: 172.710 CA :: 53.460 CB :: 32.134 CG :: 25.703 CD :: 43.950 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.789 HA :: 4.862 HB2 :: 1.737 HB3 :: 1.827 HG2 :: 1.446 HG3 :: 1.446 HD2 :: 2.574 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.705 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P68 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 :: 176.880 CA :: 64.468 CB :: 32.411 CG :: 27.227 CD :: 50.294 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.332 HB2 :: 1.892 HB3 :: 2.341 HG2 :: 1.997 HG3 :: 1.997 HD2 :: 3.507 HD3 :: 3.695 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.16 C 0.09 Y 0.07 F 0.07 L 0.04 C Shift Assignments>> C :: 174.510 CA :: 53.187 CB :: 38.728 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.485 HA :: 4.872 HB2 :: 2.809 HB3 :: 3.136 HD21 :: 7.740 HD22 :: 7.024 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.699 ND2 :: 112.412 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 175.380 CA :: 57.518 CB :: 40.697 CD1 :: 133.475 CD2 :: 133.475 CE1 :: 118.785 CE2 :: 118.785 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.906 HA :: 4.673 HB2 :: 2.978 HB3 :: 3.068 HD1 :: 6.960 HD2 :: 6.960 HE1 :: 6.685 HE2 :: 6.685 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.850 Ave N Shift Values>> N :: 120.52(4.2) 1.Q71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 K 0.36 Q 0.04 R 0.03 V 0.02 I 0.01 C Shift Assignments>> C :: 175.450 CA :: 59.286 CB :: 25.185 CG :: 33.836 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.200 HA :: 3.020 HB2 :: 1.627 HB3 :: 1.557 HG2 :: 1.616 HG3 :: 1.196(S) HE21 :: 7.336 HE22 :: 6.609 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 127.817 NE2 :: 107.177 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 F 0.13 C Shift Assignments>> C :: 176.550 CA :: 52.341 CB :: 37.731 CD1 :: 129.382 CD2 :: 129.382 CE1 :: 130.615 CE2 :: 130.615 CZ :: 130.763 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.378 HA :: 5.064 HB2 :: 2.598 HB3 :: 3.481 HD1 :: 6.884 HD2 :: 6.884 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.430 Ave N Shift Values>> N :: 120.45(4.18) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.710 CA :: 68.104 CB :: 69.543 CG2 :: 22.699 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.853 HA :: 4.176 HB :: 4.206 HG21 :: 1.463 HG22 :: 1.463 HG23 :: 1.463 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.742 Ave N Shift Values>> N :: 115.42(4.75) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.26 L 0.07 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.690 CA :: 52.326 CB :: 39.614 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.807 HA :: 5.081 HB2 :: 2.724 HB3 :: 2.990 HD21 :: 7.448 HD22 :: 6.961 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.260 ND2 :: 111.775 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.52 C 0.46 HN Overlap>> 1.Q38 1.Q38 C Shift Assignments>> C :: 176.090 CA :: 57.548 CB :: 41.058 CG :: 25.452 CD1 :: 23.575 CD2 :: 25.450 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.781 HA :: 3.455 HB2 :: 0.719 HB3 :: 1.026 HG :: -0.017(S) HD11 :: -0.203(S) HD12 :: -0.203(S) HD13 :: -0.203(S) HD21 :: -0.498(S) HD22 :: -0.498(S) HD23 :: -0.498(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.386 Ave N Shift Values>> N :: 121.86(3.9) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.38 R 0.12 C Shift Assignments>> C :: 175.780 CA :: 57.627 CB :: 31.550 CG :: 23.552 CD :: 29.523 CE :: 42.184 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.503 HA :: 4.299 HB2 :: 1.932 HB3 :: 2.034 HG2 :: 1.375 HG3 :: 1.539 HD2 :: 1.778 HE2 :: 3.105 HE3 :: 3.105 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 112.361 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.02 L 0.01 C Shift Assignments>> C :: 178.480 CA :: 53.030 CB :: 19.412 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.872 HA :: 4.260 HB1 :: 1.451 HB2 :: 1.451 HB3 :: 1.451 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.518 Ave N Shift Values>> N :: 123.23(3.54) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C 0.01 C Shift Assignments>> C :: 174.780 CA :: 51.953 CB :: 19.194 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.077 HA :: 4.088 HB1 :: 1.253 HB2 :: 1.253 HB3 :: 1.253 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.458 Ave N Shift Values>> N :: 123.23(3.54) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.43 A 0.03 R 0.02 G 0.01 C Shift Assignments>> C :: 176.560 CA :: 54.039 CB :: 35.860 CG :: 23.931 CD :: 29.381 CE :: 41.910 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.397 HA :: 4.577 HB2 :: 1.876 HB3 :: 1.686 HG2 :: 1.345 HG3 :: 1.345 HD2 :: 1.654 HD3 :: 1.654 HE2 :: 2.960 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.811 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.35 R 0.15 C Shift Assignments>> C :: 177.710 CA :: 59.783 CB :: 31.520 CG :: 25.880 CD :: 29.597 CE :: 41.923 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.574 HA :: 3.604 HB2 :: 1.715 HB3 :: 1.715 HG2 :: 1.203 HG3 :: 1.462 HD2 :: 1.727 HD3 :: 1.727 HE2 :: 3.034 HE3 :: 3.034 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.563 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.530 CA :: 45.080 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.240 HA2 :: 3.440 HA3 :: 4.571 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.630 Ave N Shift Values>> N :: 109.67(3.87) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.990 CA :: 61.863 CB :: 63.409 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.610 HA :: 4.285 HB2 :: 3.897 HB3 :: 4.075 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.022 Ave N Shift Values>> N :: 116.28(3.52) 1.M83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 C 0.32 A 0.12 C Shift Assignments>> C :: 176.200 CA :: 53.772 CB :: 32.105 CG :: 32.129 CE :: 15.480 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.486 HA :: 5.123 HB2 :: 1.970 HB3 :: 1.641 HG2 :: 2.628 HG3 :: 2.792 HE1 :: 1.891 HE2 :: 1.891 HE3 :: 1.891 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.063 Ave N Shift Values>> N :: 120.09(3.57) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 173.730 CA :: 60.769 CB :: 35.552 CG1 :: 20.838 CG2 :: 21.651 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.784 HA :: 4.438 HB :: 1.647 HG11 :: 0.653 HG12 :: 0.653 HG13 :: 0.653 HG21 :: 0.629 HG22 :: 0.629 HG23 :: 0.629 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.268 Ave N Shift Values>> N :: 121.14(4.54) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.25 HN Overlap>> 1.V143 1.I124 1.V143 1.I124 C Shift Assignments>> C :: 174.790 CA :: 55.812 CB :: 40.740 CD1 :: 133.426 CD2 :: 133.426 CE1 :: 117.804 CE2 :: 117.804 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.296 HA :: 5.688 HB2 :: 3.002 HB3 :: 2.868 HD1 :: 6.993 HD2 :: 6.993 HE1 :: 6.669 HE2 :: 6.669 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.674 Ave N Shift Values>> N :: 120.52(4.2) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.15 G 0.11 C Shift Assignments>> C :: 173.530 CA :: 53.702 CB :: 42.873 CD1 :: 131.049 CD2 :: 131.049 CE1 :: 130.788 CE2 :: 130.608 CZ :: 127.768 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.665 HA :: 5.997 HB2 :: 2.891 HB3 :: 3.555 HD1 :: 7.313 HD2 :: 7.313 HZ :: 6.916 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.339 Ave N Shift Values>> N :: 120.45(4.18) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.27 G 0.01 C Shift Assignments>> C :: 175.040 CA :: 55.362 CB :: 34.381 CG :: 25.440 CD :: 29.970 CE :: 42.520 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.434 HA :: 5.163 HB2 :: 1.922 HB3 :: 1.738 HG2 :: 1.298 HG3 :: 1.453 HD2 :: 1.660 HD3 :: 1.660 HE2 :: 2.966 HE3 :: 2.966 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 130.196 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.26 C Shift Assignments>> C :: 175.770 CA :: 59.360 CB :: 33.952 CG1 :: 19.209 CG2 :: 21.425 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.072 HA :: 4.374 HB :: 1.649 HG11 :: 0.586 HG12 :: 0.586 HG13 :: 0.586 HG21 :: 0.461 HG22 :: 0.461 HG23 :: 0.461 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.182 Ave N Shift Values>> N :: 121.14(4.54) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 175.140 CA :: 47.237 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.071 HA2 :: 3.694 HA3 :: 3.872 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.699 Ave N Shift Values>> N :: 109.67(3.87) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.16 C 0.09 Y 0.07 F 0.07 L 0.04 C Shift Assignments>> C :: 174.960 CA :: 53.126 CB :: 38.672 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.015 HA :: 4.790 HB2 :: 2.798 HB3 :: 2.932 HD21 :: 7.580 HD22 :: 6.914 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.843 ND2 :: 112.456 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.28 E 0.25 Q 0.01 C Shift Assignments>> C :: 175.740 CA :: 55.763 CB :: 32.505 CG :: 36.392 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.459 HA :: 4.614 HB2 :: 2.102 HB3 :: 2.139 HG2 :: 2.263 HG3 :: 2.210 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.207 Ave N Shift Values>> N :: 120.67(3.48) 1.T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.150 CA :: 62.719 CB :: 69.590 CG2 :: 21.910 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.755 HA :: 4.662 HB :: 4.027 HG21 :: 1.145 HG22 :: 1.145 HG23 :: 1.145 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.456 Ave N Shift Values>> N :: 115.42(4.75) 1.R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 G 0.29 R 0.23 K 0.01 C Shift Assignments>> C :: 174.530 CA :: 56.040 CB :: 32.703 CG :: 27.985 CD :: 44.465 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.333 HA :: 4.512 HB2 :: 2.344 HB3 :: 1.944 HG2 :: 1.710 HG3 :: 1.739 HD2 :: 3.151 HD3 :: 3.383 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 129.018 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.4 R 0.17 HN Overlap>> 1.K4 1.K4 C Shift Assignments>> C :: 174.680 CA :: 55.194 CB :: 35.582 CG :: 25.200 CD :: 29.823 CE :: 41.951 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.415 HA :: 5.116 HB2 :: 1.727 HB3 :: 1.533 HG2 :: 1.378 HG3 :: 1.378 HD2 :: 1.669 HD3 :: 1.782 HE2 :: 2.930 HE3 :: 2.930 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.361 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 G 0.28 C 0.2 HN Overlap>> 1.K96 1.K96 C Shift Assignments>> C :: 173.340 CA :: 55.226 CB :: 43.500 CD1 :: 133.617 CD2 :: 133.617 CE1 :: 117.842 CE2 :: 117.842 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.063 HA :: 5.068 HB2 :: 2.300 HB3 :: 2.410 HD1 :: 6.792 HD2 :: 6.792 HE1 :: 6.513 HE2 :: 6.513 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.716 Ave N Shift Values>> N :: 120.52(4.2) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.26 R 0.21 G 0.02 HN Overlap>> 1.Y95 1.Y95 C Shift Assignments>> C :: 176.800 CA :: 54.248 CB :: 36.440 CG :: 24.850 CD :: 29.970 CE :: 42.310 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.997 HA :: 5.110 HB2 :: 1.683 HB3 :: 1.477 HG2 :: 1.298 HG3 :: 1.298 HD2 :: 1.666 HD3 :: 1.666 HE2 :: 2.950 HE3 :: 2.950 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.676 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.47 A 0.04 C Shift Assignments>> C :: 176.090 CA :: 57.123 CB :: 32.490 CG :: 32.955 CE :: 17.150 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.234 HA :: 4.566 HB2 :: 2.290 HB3 :: 2.290 HG2 :: 2.398 HG3 :: 2.398 HE1 :: 1.610 HE2 :: 1.610 HE3 :: 1.610 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 125.305 Ave N Shift Values>> N :: 120.09(3.57) 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.850 CA :: 62.730 CB :: 70.844 CG2 :: 22.573 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 10.168 HA :: 4.569 HB :: 4.266 HG21 :: 1.328 HG22 :: 1.328 HG23 :: 1.328 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.886 Ave N Shift Values>> N :: 115.42(4.75) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.227 CB :: 64.728 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.853 HA :: 4.632 HB2 :: 3.597 HB3 :: 3.728 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.211 Ave N Shift Values>> N :: 116.28(3.52) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 175.820 CA :: 61.004 CB :: 41.608 CG1 :: 27.371 CG2 :: 16.749 CD1 :: 14.336 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.117 HA :: 4.702 HB :: 1.384 HG12 :: 0.897 HG13 :: 1.265 HG21 :: 0.053 HG22 :: 0.053 HG23 :: 0.053 HD11 :: 0.756 HD12 :: 0.756 HD13 :: 0.756 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.517 Ave N Shift Values>> N :: 121.46(4.28) 1.R101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.26 G 0.2 K 0.06 C Shift Assignments>> C :: 173.570 CA :: 54.861 CB :: 33.844 CG :: 26.376 CD :: 43.811 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.805 HA :: 4.708 HB2 :: 1.596 HB3 :: 1.744 HG2 :: 1.309 HG3 :: 1.445 HD2 :: 3.081 HD3 :: 2.964 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.429 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.26 K 0.15 R 0.08 F 0.06 C 0.04 Y 0.04 N 0.04 C Shift Assignments>> C :: 175.910 CA :: 54.192 CB :: 42.057 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.393 HA :: 5.265 HB2 :: 2.532 HB3 :: 2.677 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.743 Ave N Shift Values>> N :: 120.65(3.86) 1.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 C Shift Assignments>> CA :: 60.180 CB :: 34.781 CG1 :: 19.996 CG2 :: 21.950 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.200 HA :: 4.753 HB :: 2.569 HG11 :: 0.725 HG12 :: 0.725 HG13 :: 0.725 HG21 :: 0.863 HG22 :: 0.863 HG23 :: 0.863 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.458 Ave N Shift Values>> N :: 121.14(4.54) 1.K104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> CA :: 63.347 CB :: 32.699 CG :: 27.180 CD :: 51.541 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.388 HB2 :: 2.126 HB3 :: 2.458 HG3 :: 1.991 HD2 :: 3.590 HD3 :: 4.186 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 175.040 CA :: 60.672 CB :: 68.779 CG2 :: 22.118 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.681 HA :: 4.258 HB :: 4.593 HG21 :: 1.207 HG22 :: 1.207 HG23 :: 1.207 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 100.190 Ave N Shift Values>> N :: 115.42(4.75) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 N 0.21 F 0.16 Y 0.15 C 0.1 L 0.1 I 0.01 C Shift Assignments>> C :: 176.660 CA :: 55.029 CB :: 39.480 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.671 HA :: 4.960 HB2 :: 2.820 HB3 :: 2.912 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.302 Ave N Shift Values>> N :: 120.65(3.86) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 177.490 CA :: 63.284 CB :: 31.781 CG1 :: 19.129 CG2 :: 21.670 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.066 HA :: 3.949 HB :: 2.259 HG11 :: 0.929 HG12 :: 0.929 HG13 :: 0.929 HG21 :: 0.959 HG22 :: 0.959 HG23 :: 0.959 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.378 Ave N Shift Values>> N :: 121.14(4.54) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.35 C 0.33 I 0.12 K 0.1 Q 0.06 C Shift Assignments>> C :: 176.140 CA :: 58.060 CB :: 28.643 CG :: 36.173 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.121 HA :: 4.260 HB2 :: 2.010 HB3 :: 2.055 HG2 :: 2.247 HG3 :: 2.247 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 176.870 CA :: 63.867 CB :: 31.664 CG1 :: 19.968 CG2 :: 21.659 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.585 HA :: 3.893 HB :: 2.162 HG11 :: 0.953 HG12 :: 0.953 HG13 :: 0.953 HG21 :: 0.977 HG22 :: 0.977 HG23 :: 0.977 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.420 Ave N Shift Values>> N :: 121.14(4.54) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.24 A 0.1 R 0.01 C Shift Assignments>> C :: 178.110 CA :: 54.651 CB :: 41.509 CG :: 26.882 CD1 :: 25.265 CD2 :: 22.320 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HA :: 4.206 HB2 :: 1.582 HB3 :: 1.764 HG :: 1.482 HD11 :: 0.824 HD12 :: 0.824 HD13 :: 0.824 HD21 :: 0.724 HD22 :: 0.724 HD23 :: 0.724 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.022 Ave N Shift Values>> N :: 121.86(3.9) 1.D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.22 K 0.13 F 0.11 Y 0.09 N 0.07 C 0.06 R 0.01 C Shift Assignments>> C :: 177.040 CA :: 55.007 CB :: 41.168 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.628 HA :: 4.562 HB2 :: 2.719 HB3 :: 2.719 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.959 Ave N Shift Values>> N :: 120.65(3.86) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.34 M 0.23 Q 0.02 C Shift Assignments>> C :: 177.250 CA :: 55.922 CB :: 31.638 CG :: 36.418 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.703 HA :: 4.638 HB2 :: 2.035 HB3 :: 1.897 HG2 :: 2.278 HG3 :: 2.405 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.673 Ave N Shift Values>> N :: 120.67(3.48) 1.Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.22 R 0.12 M 0.05 E 0.01 HN Overlap>> 1.K11 1.K11 C Shift Assignments>> C :: 175.220 CA :: 53.657 CB :: 28.340 CG :: 33.197 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.516 HA :: 4.357 HB2 :: 1.740 HB3 :: 1.874 HG2 :: 2.230 HG3 :: 2.275 HE21 :: 7.369 HE22 :: 6.786 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.108 NE2 :: 113.469 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.42 R 0.13 C Shift Assignments>> CA :: 57.685 CB :: 32.359 CG :: 24.945 CD :: 29.077 CE :: 42.167 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.228 HA :: 4.021 HB2 :: 1.750 HB3 :: 1.750 HG2 :: 1.461 HG3 :: 1.381 HD2 :: 1.655 HD3 :: 1.655 HE2 :: 2.990 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.057 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.220 CA :: 45.392 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.739 HA2 :: 4.100 HA3 :: 3.786 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.583 Ave N Shift Values>> N :: 109.67(3.87) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.34 R 0.11 G 0.01 C Shift Assignments>> C :: 176.280 CA :: 55.070 CB :: 33.843 CG :: 25.146 CD :: 28.613 CE :: 42.224 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.562 HA :: 4.483 HB2 :: 1.926 HB3 :: 1.808 HG2 :: 1.271 HG3 :: 1.391 HD2 :: 1.602 HD3 :: 1.602 HE2 :: 2.968 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.104 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.25 K 0.17 F 0.09 Y 0.06 C 0.05 N 0.05 R 0.04 HN Overlap>> 1.K9 1.K9 C Shift Assignments>> C :: 176.570 CA :: 54.828 CB :: 41.630 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.163 HA :: 4.581 HB2 :: 2.490 HB3 :: 2.935 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.595 Ave N Shift Values>> N :: 120.65(3.86) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.33 K 0.24 G 0.01 C Shift Assignments>> C :: 175.840 CA :: 58.059 CB :: 32.959 CG :: 26.739 CD :: 29.506 CE :: 42.488 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.935 HA :: 4.652 HB2 :: 1.875 HB3 :: 2.416 HG2 :: 1.546 HG3 :: 1.803 HD2 :: 1.803 HD3 :: 1.803 HE2 :: 2.919 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.920 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q120 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.54 C 0.38 E 0.04 Q 0.01 C Shift Assignments>> C :: 174.440 CA :: 53.930 CB :: 34.366 CG :: 32.957 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.537 HA :: 5.746(S) HB2 :: 1.940 HB3 :: 1.940 HG2 :: 2.092 HG3 :: 2.443 HE21 :: 6.274 HE22 :: 6.519 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.152 NE2 :: 112.610 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L121 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.71 L 0.14 C 0.11 A 0.01 C Shift Assignments>> C :: 176.490 CA :: 52.743 CB :: 45.256 CG :: 25.722 CD1 :: 23.992 CD2 :: 26.448 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.921 HA :: 5.266 HB2 :: 0.824 HB3 :: 0.824 HG :: 0.171(S) HD11 :: 0.267 HD12 :: 0.267 HD13 :: 0.267 HD21 :: 0.014 HD22 :: 0.014 HD23 :: 0.014 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.469 Ave N Shift Values>> N :: 121.86(3.9) 1.T122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 173.350 CA :: 62.453 CB :: 69.386 CG2 :: 21.696 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.981 HA :: 4.549 HB :: 4.146 HG21 :: 0.941 HG22 :: 0.941 HG23 :: 0.941 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.027 Ave N Shift Values>> N :: 115.42(4.75) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 C 0.2 R 0.01 C Shift Assignments>> C :: 175.880 CA :: 52.777 CB :: 41.165 CG :: 27.189 CD1 :: 24.659 CD2 :: 25.776 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.465 HA :: 5.304 HB2 :: 1.842 HB3 :: 0.725 HG :: 1.451 HD11 :: 0.460 HD12 :: 0.460 HD13 :: 0.460 HD21 :: 0.321 HD22 :: 0.321 HD23 :: 0.321 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.519 Ave N Shift Values>> N :: 121.86(3.9) 1.I124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.38 G 0.02 HN Overlap>> 1.V143 1.V143 1.Y85 1.Y85 C Shift Assignments>> C :: 177.140 CA :: 60.141 CB :: 42.304 CG1 :: 27.805 CG2 :: 17.588 CD1 :: 15.427 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.267 HA :: 4.986 HB :: 1.485 HG12 :: 0.968 HG13 :: 0.820 HG21 :: 0.820 HG22 :: 0.820 HG23 :: 0.820 HD11 :: 0.656 HD12 :: 0.656 HD13 :: 0.656 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.708 Ave N Shift Values>> N :: 121.46(4.28) 1.T125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 174.550 CA :: 59.877 CB :: 70.597 CG2 :: 20.624 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.831 HA :: 5.172 HB :: 4.256 HG21 :: 1.183 HG22 :: 1.183 HG23 :: 1.183 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.782 Ave N Shift Values>> N :: 115.42(4.75) 1.C126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.23 K 0.18 F 0.09 Y 0.07 R 0.05 C 0.05 N 0.04 C Shift Assignments>> C :: 172.560 CA :: 55.046 CB :: 41.712 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.194 HA :: 4.542 HB2 :: 2.626 HB3 :: 2.460 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.923 Ave N Shift Values>> N :: 120.17(4.64) 1.D127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.1 C 0.02 D 0.01 R 0.01 C Shift Assignments>> C :: 174.530 CA :: 52.913 CB :: 45.333 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.829 HA :: 5.332 HB2 :: 2.610 HB3 :: 2.610 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.945 Ave N Shift Values>> N :: 120.65(3.86) 1.D128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 D 0.22 F 0.15 Y 0.15 C 0.1 L 0.1 I 0.01 C Shift Assignments>> C :: 174.820 CA :: 54.949 CB :: 39.459 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.271 HA :: 4.360 HB2 :: 2.973 HB3 :: 2.677 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.123 Ave N Shift Values>> N :: 120.65(3.86) 1.Y129 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 Y 0.48 C Shift Assignments>> C :: 175.320 CA :: 59.258 CB :: 36.106 CD1 :: 132.649 CD2 :: 132.649 CE1 :: 117.405 CE2 :: 117.405 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.498 HA :: 3.753 HD1 :: 5.520(S) HD2 :: 5.520(S) HE1 :: 6.214 HE2 :: 6.214 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.570 Ave N Shift Values>> N :: 120.52(4.2) 1.N130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.14 C 0.08 F 0.03 Y 0.03 L 0.03 C Shift Assignments>> C :: 174.820 CA :: 51.459 CB :: 38.788 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.019 HA :: 4.491 HB2 :: 2.412 HB3 :: 3.118 HD21 :: 7.748 HD22 :: 6.828 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 128.701 ND2 :: 113.224 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.33 K 0.1 I 0.08 Q 0.06 M 0.02 C Shift Assignments>> C :: 177.710 CA :: 58.127 CB :: 29.414 CG :: 36.097 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.694 HA :: 3.685 HB2 :: 2.016 HB3 :: 2.016 HG2 :: 2.294 HG3 :: 2.294 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.511 Ave N Shift Values>> N :: 120.67(3.48) 1.K132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.4 R 0.16 C Shift Assignments>> C :: 178.440 CA :: 58.172 CB :: 32.291 CG :: 25.178 CD :: 28.897 CE :: 42.306 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.108 HA :: 4.129 HB2 :: 1.847 HB3 :: 1.928 HG2 :: 1.480 HG3 :: 1.480 HD2 :: 1.654 HD3 :: 1.654 HE2 :: 2.981 HE3 :: 2.981 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.025 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 176.430 CA :: 61.154 CB :: 69.668 CG2 :: 21.822 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.139 HA :: 4.261 HB :: 4.186 HG21 :: 1.037 HG22 :: 1.037 HG23 :: 1.037 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.535 Ave N Shift Values>> N :: 115.42(4.75) 1.G134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.740 CA :: 45.836 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.343 HA2 :: 3.570 HA3 :: 3.899 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.728 Ave N Shift Values>> N :: 109.67(3.87) 1.V135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 174.850 CA :: 60.267 CB :: 35.118 CG1 :: 21.266 CG2 :: 20.513 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.845 HA :: 4.249 HB :: 1.929 HG11 :: 0.816 HG12 :: 0.816 HG13 :: 0.816 HG21 :: 0.754 HG22 :: 0.754 HG23 :: 0.754 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.553 Ave N Shift Values>> N :: 121.14(4.54) 1.W136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> C :: 175.910 CA :: 57.060 CB :: 29.174 CD1 :: 128.356 CE3 :: 120.572 CZ2 :: 114.796 CZ3 :: 122.382 CH2 :: 124.288 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.546 HA :: 4.437 HB2 :: 3.204 HB3 :: 3.204 HD1 :: 7.013 HE1 :: 10.006 HE3 :: 7.315 HZ2 :: 6.981 HZ3 :: 7.164 HH2 :: 7.015 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 125.632 NE1 :: 131.618 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.34 I 0.12 M 0.03 K 0.01 C Shift Assignments>> C :: 175.840 CA :: 58.699 CB :: 30.366 CG :: 37.279 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.371 HA :: 4.255 HB2 :: 2.251 HB3 :: 2.251 HG2 :: 2.549 HG3 :: 2.205 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.199 Ave N Shift Values>> N :: 120.67(3.48) 1.K138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.43 R 0.08 C Shift Assignments>> C :: 177.520 CA :: 55.263 CB :: 35.856 CG :: 25.315 CD :: 29.191 CE :: 41.368 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.423 HA :: 4.910 HB2 :: 1.782 HB3 :: 1.690 HG2 :: 1.374 HG3 :: 1.493 HD3 :: 1.717 HE2 :: 2.634 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.299 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.39 R 0.02 G 0.01 C Shift Assignments>> C :: 175.220 CA :: 54.803 CB :: 35.882 CG :: 25.731 CD :: 42.036 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.655 HA :: 5.260 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.393 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.46 C 0.46 R 0.05 C Shift Assignments>> C :: 174.760 CA :: 55.507 CB :: 35.856 CG :: 24.562 CD :: 29.221 CE :: 41.724 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.420 HA :: 4.929 HB2 :: 1.688 HB3 :: 1.650 HG2 :: 1.130 HG3 :: 1.169 HD2 :: 1.502 HD3 :: 1.502 HE2 :: 2.717 HE3 :: 2.779 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.I141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.44 A 0.01 C Shift Assignments>> C :: 173.910 CA :: 58.544 CB :: 40.349 CG1 :: 26.798 CG2 :: 18.227 CD1 :: 13.312 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.837 HA :: 5.385 HB :: 1.662 HG12 :: 1.142 HG13 :: 1.325 HG21 :: 0.731 HG22 :: 0.731 HG23 :: 0.731 HD11 :: 0.641 HD12 :: 0.641 HD13 :: 0.641 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.091 Ave N Shift Values>> N :: 121.46(4.28) 1.F142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.26 F 0.11 C Shift Assignments>> C :: 174.680 CA :: 55.861 CB :: 39.423 CD1 :: 132.350 CD2 :: 132.350 CE1 :: 127.527 CE2 :: 127.527 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.389 HA :: 4.901 HB2 :: 2.971 HB3 :: 2.971 HD1 :: 7.009 HD2 :: 7.009 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.366 Ave N Shift Values>> N :: 120.45(4.18) 1.V143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 HN Overlap>> 1.I124 1.Y85 1.I124 1.Y85 C Shift Assignments>> C :: 174.780 CA :: 61.262 CB :: 33.464 CG1 :: 21.580 CG2 :: 21.388 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.194 HA :: 4.904 HB :: 1.928 HG11 :: 0.843 HG12 :: 0.843 HG13 :: 0.843 HG21 :: 0.726 HG22 :: 0.726 HG23 :: 0.726 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.641 Ave N Shift Values>> N :: 121.14(4.54) 1.A144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 L 0.18 C 0.11 G 0.01 C Shift Assignments>> C :: 175.610 CA :: 49.848 CB :: 22.243 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.148 HA :: 5.314 HB1 :: 1.084 HB2 :: 1.084 HB3 :: 1.084 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.115 Ave N Shift Values>> N :: 123.23(3.54) 1.T145 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 :: 174.760 CA :: 62.232 CB :: 70.337 CG2 :: 22.125 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.705 HA :: 4.980 HB :: 4.076 HG21 :: 1.419 HG22 :: 1.419 HG23 :: 1.419 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.525 Ave N Shift Values>> N :: 115.42(4.75) 1.E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.33 M 0.1 Q 0.08 K 0.07 I 0.03 C Shift Assignments>> C :: 175.630 CA :: 57.610 CB :: 30.350 CG :: 35.864 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.217 HA :: 4.148 HB2 :: 1.880 HB3 :: 1.880 HG2 :: 2.040 HG3 :: 2.166 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.082 Ave N Shift Values>> N :: 120.67(3.48) 1.V147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 174.650 CA :: 61.006 CB :: 33.785 CG1 :: 21.651 CG2 :: 21.108 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.184 HA :: 4.252 HB :: 1.859 HG11 :: 0.915 HG12 :: 0.915 HG13 :: 0.915 HG21 :: 0.789 HG22 :: 0.789 HG23 :: 0.789 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.620 Ave N Shift Values>> N :: 121.14(4.54) 1.K148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.42 R 0.12 C Shift Assignments>> C :: 177.180 CA :: 57.548 CB :: 33.690 CG :: 25.126 CD :: 29.075 CE :: 42.242 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.071 HA :: 4.166 HB2 :: 1.676 HB3 :: 1.805 HG2 :: 1.377 HG3 :: 1.377 HD2 :: 1.651 HD3 :: 1.651 HE2 :: 2.970 HE3 :: 2.970 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 130.279 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.2W71 Overall Status: Residue type 2W7 not supported. ########################################################################### Overall Results: #Consistent: 140 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 147 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 148 #Suspicious: 0 C Shift Results: #Consistent: 660 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1000 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 N Shift Results: #Consistent: 147 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.K26 N = 133.878(S), Expected = 121.05, Std = 3.7700, ChiSquare = 6.6735e-04 1.S58 HA = 5.809(S), Expected = 4.48, Std = 0.4000, ChiSquare = 8.9215e-04 1.G61 HA2 = 2.633(S), Expected = 3.97, Std = 0.3700, ChiSquare = 3.0208e-04 1.Q71 HG3 = 1.196(S), Expected = 2.29, Std = 0.2900, ChiSquare = 1.6168e-04 1.L75 HG = -0.017(S), Expected = 1.51, Std = 0.3300, ChiSquare = 3.7051e-06 1.L75 HD11 = -0.203(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6511e-04 1.L75 HD12 = -0.203(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6511e-04 1.L75 HD13 = -0.203(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6511e-04 1.L75 HD21 = -0.498(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2908e-05 1.L75 HD22 = -0.498(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2908e-05 1.L75 HD23 = -0.498(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2908e-05 1.Q120 HA = 5.746(S), Expected = 4.27, Std = 0.4400, ChiSquare = 7.9495e-04 1.L121 HG = 0.171(S), Expected = 1.51, Std = 0.3300, ChiSquare = 4.9585e-05 1.Y129 HD1 = 5.520(S), Expected = 6.93, Std = 0.3000, ChiSquare = 2.6016e-06 1.Y129 HD2 = 5.520(S), Expected = 6.93, Std = 0.3000, ChiSquare = 2.6016e-06