Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.21 M 0.12 E 0.11 R 0.03 C Shift Assignments>> C :: 175.800 CA :: 55.900 CB :: 29.780 CG :: 33.743 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> HA :: 4.493 HB2 :: 1.994 HB3 :: 2.104 HG2 :: 2.356 HG3 :: 2.356 HE21 :: 6.853 HE22 :: 7.546 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> NE2 :: 112.299 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.600 CA :: 62.010 CB :: 69.860 CG2 :: 21.751 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.411 HA :: 4.310 HB :: 4.263 HG21 :: 1.209 HG22 :: 1.209 HG23 :: 1.209 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.856 Ave N Shift Values>> N :: 115.7(5.05) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.24 E 0.11 M 0.07 R 0.05 C Shift Assignments>> C :: 176.300 CA :: 56.340 CB :: 29.310 CG :: 33.738 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.590 HA :: 4.315 HB2 :: 1.994 HB3 :: 2.090 HG2 :: 2.360 HG3 :: 2.360 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.680 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 K 0.09 M 0.08 I 0.06 Q 0.05 C Shift Assignments>> C :: 177.100 CA :: 57.290 CB :: 30.110 CG :: 36.154 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.508 HA :: 4.202 HB2 :: 1.965 HB3 :: 2.010 HG2 :: 2.255 HG3 :: 2.255 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.461 Ave N Shift Values>> N :: 120.68(3.68) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.24 E 0.12 M 0.06 R 0.05 C Shift Assignments>> C :: 176.700 CA :: 56.520 CB :: 29.180 CG :: 33.817 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.426 HA :: 4.271 HB2 :: 2.018 HB3 :: 2.117 HG2 :: 2.388 HG3 :: 2.388 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.281 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.100 CA :: 59.150 CB :: 63.490 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.320 HA :: 4.331 HB2 :: 3.869 HB3 :: 3.895 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.400 Ave N Shift Values>> N :: 116.3(3.95) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.24 C 0.24 E 0.11 R 0.06 M 0.06 C Shift Assignments>> C :: 176.150 CA :: 56.392 CB :: 29.084 CG :: 33.734 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.328 HA :: 4.278 HB2 :: 1.973 HB3 :: 2.098 HG2 :: 2.373 HG3 :: 2.373 HE21 :: 6.912 HE22 :: 7.599 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.734 NE2 :: 112.636 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.18 M 0.03 C Shift Assignments>> C :: 176.600 CA :: 56.520 CB :: 32.850 CG :: 24.958 CD :: 29.112 CE :: 42.109 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.132 HA :: 4.220 HB2 :: 1.739 HB3 :: 1.820 HG2 :: 1.415 HG3 :: 1.415 HD2 :: 1.653 HD3 :: 1.653 HE2 :: 2.946 HE3 :: 2.946 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.479 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.2 M 0.02 G 0.01 HN Overlap>> 1.A33 1.A33 C Shift Assignments>> C :: 176.500 CA :: 56.350 CB :: 32.930 CG :: 24.991 CD :: 29.050 CE :: 42.450 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.242 HA :: 4.296 HB2 :: 1.744 HB3 :: 1.830 HG2 :: 1.412 HG3 :: 1.412 HD2 :: 1.687 HD3 :: 1.687 HE2 :: 2.968 HE3 :: 2.968 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.114 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.18 M 0.02 C Shift Assignments>> C :: 176.800 CA :: 56.713 CB :: 32.724 CG :: 25.014 CD :: 29.038 CE :: 41.991 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.443 HA :: 4.291 HB2 :: 1.745 HB3 :: 1.790 HG2 :: 1.408 HG3 :: 1.408 HD2 :: 1.641 HD3 :: 1.641 HE2 :: 2.955 HE3 :: 2.955 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.624 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.19 E 0.14 C Shift Assignments>> C :: 175.800 CA :: 56.670 CB :: 33.855 CG :: 36.122 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.154 HA :: 4.247 HB2 :: 1.954 HB3 :: 2.060 HG2 :: 2.374 HG3 :: 2.374 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.590 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.32 R 0.26 G 0.03 M 0.01 C Shift Assignments>> C :: 175.500 CA :: 55.500 CB :: 34.580 CG :: 25.253 CD :: 29.205 CE :: 42.884 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.408 HA :: 4.538 HB2 :: 1.600 HB3 :: 1.600 HG2 :: 1.241 HG3 :: 1.241 HD2 :: 1.403 HD3 :: 1.403 HE2 :: 2.842 HE3 :: 2.842 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.913 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.13 L 0.13 C 0.09 C Shift Assignments>> C :: 176.100 CA :: 51.250 CB :: 21.540 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.771 HA :: 4.581 HB1 :: 1.367 HB2 :: 1.367 HB3 :: 1.367 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.191 Ave N Shift Values>> N :: 123.23(3.7) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 HN Overlap>> 1.A46 1.A46 C Shift Assignments>> C :: 175.300 CA :: 61.530 CB :: 32.980 CG1 :: 20.393 CG2 :: 21.334 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.287 HA :: 4.405 HB :: 1.718 HG11 :: 0.656 HG12 :: 0.656 HG13 :: 0.656 HG21 :: 0.600 HG22 :: 0.600 HG23 :: 0.600 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.035 Ave N Shift Values>> N :: 121.02(4.96) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.33 C 0.25 C Shift Assignments>> C :: 173.200 CA :: 56.180 CB :: 40.820 CD1 :: 132.035 CD2 :: 132.035 CE1 :: 130.700 CE2 :: 130.700 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.757 HA :: 4.770 HB2 :: 2.856 HB3 :: 3.064 HD1 :: 7.016 HD2 :: 7.016 HE1 :: 7.016 HE2 :: 7.016 HZ :: 7.016 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.504 Ave N Shift Values>> N :: 120.69(4.18) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 C Shift Assignments>> C :: 172.682 CA :: 45.070 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.305 HA2 :: 4.342 HA3 :: 3.240 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.670 Ave N Shift Values>> N :: 109.91(4.29) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 HN Overlap>> 1.D23 1.D23 C Shift Assignments>> C :: 173.700 CA :: 59.240 CB :: 40.310 CG1 :: 26.154 CG2 :: 18.203 CD1 :: 13.681 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.375 HA :: 4.245 HB :: 1.454 HG12 :: 0.949 HG13 :: 1.142 HG21 :: 0.634 HG22 :: 0.634 HG23 :: 0.634 HD11 :: 0.673 HD12 :: 0.673 HD13 :: 0.673 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.812 Ave N Shift Values>> N :: 121.6(4.72) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 174.900 CA :: 56.730 CB :: 39.200 CD1 :: 132.942 CD2 :: 132.942 CE1 :: 118.260 CE2 :: 118.260 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.293 HA :: 4.942 HB2 :: 2.641 HB3 :: 2.811 HD1 :: 6.922 HD2 :: 6.922 HE1 :: 6.696 HE2 :: 6.696 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.869 Ave N Shift Values>> N :: 120.79(4.69) 1.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 A 0.31 M 0.2 I 0.03 C Shift Assignments>> C :: 174.100 CA :: 54.350 CB :: 37.450 CG :: 31.390 CE :: 16.783 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.513 HA :: 4.727 HB2 :: 1.827 HB3 :: 1.912 HG2 :: 2.433 HG3 :: 2.527 HE1 :: 1.662 HE2 :: 1.662 HE3 :: 1.662 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.765 Ave N Shift Values>> N :: 120.1(3.88) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.24 K 0.12 C 0.1 D 0.1 F 0.06 Y 0.04 G 0.02 C Shift Assignments>> C :: 176.600 CA :: 55.560 CB :: 42.910 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.139 HA :: 4.418 HB2 :: 2.563 HB3 :: 2.738 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.274 Ave N Shift Values>> N :: 120.73(4.2) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.35 R 0.22 G 0.02 M 0.01 C Shift Assignments>> C :: 178.200 CA :: 60.170 CB :: 32.780 CG :: 25.251 CD :: 29.759 CE :: 42.435 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.821 HA :: 3.851 HB2 :: 1.770 HB3 :: 1.770 HG2 :: 1.404 HG3 :: 1.404 HD2 :: 1.625 HD3 :: 1.625 HE2 :: 2.917 HE3 :: 2.917 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.689 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 C 0.17 D 0.1 L 0.09 K 0.06 I 0.05 N 0.02 HN Overlap>> 1.I18 1.A46 1.I18 1.A46 C Shift Assignments>> C :: 178.700 CA :: 57.310 CB :: 40.200 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.421 HA :: 4.454 HB2 :: 2.644 HB3 :: 2.765 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.894 Ave N Shift Values>> N :: 120.73(4.2) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.34 R 0.11 G 0.01 C Shift Assignments>> C :: 177.900 CA :: 57.460 CB :: 42.000 CG :: 26.984 CD1 :: 24.490 CD2 :: 25.925 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.079 HA :: 4.029 HB2 :: 1.612 HB3 :: 1.760 HG :: 1.612 HD11 :: 0.916 HD12 :: 0.916 HD13 :: 0.916 HD21 :: 0.916 HD22 :: 0.916 HD23 :: 0.916 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.406 Ave N Shift Values>> N :: 121.98(4.07) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.39 R 0.16 M 0.02 G 0.01 C Shift Assignments>> C :: 178.200 CA :: 60.350 CB :: 31.870 CG :: 25.026 CD :: 29.932 CE :: 41.920 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.976 HA :: 3.666 HB2 :: 1.923 HB3 :: 1.923 HG2 :: 1.022 HG3 :: 1.159 HD2 :: 1.383 HD3 :: 1.599 HE2 :: 2.316 HE3 :: 2.489 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.319 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.400 CA :: 67.110 CB :: 68.520 CG2 :: 22.072 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.193 HA :: 3.803 HB :: 4.349 HG21 :: 1.247 HG22 :: 1.247 HG23 :: 1.247 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.606 Ave N Shift Values>> N :: 115.7(5.05) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 G 0.4 R 0.18 C Shift Assignments>> C :: 179.900 CA :: 59.730 CB :: 31.850 CG :: 26.795 CD :: 44.877 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.032 HA :: 3.986 HB2 :: 1.835 HB3 :: 2.048 HG2 :: 1.633 HG3 :: 1.914 HD2 :: 3.265 HD3 :: 3.265 HE :: 8.323 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.054 NE :: 83.909 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.34 R 0.08 G 0.01 C Shift Assignments>> C :: 178.000 CA :: 58.090 CB :: 42.020 CG :: 26.468 CD1 :: 26.468 CD2 :: 23.879 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.485 HA :: 4.270 HB2 :: 1.404 HB3 :: 2.066 HG :: 1.634 HD11 :: 0.787 HD12 :: 0.787 HD13 :: 0.787 HD21 :: 0.905 HD22 :: 0.905 HD23 :: 0.905 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.174 Ave N Shift Values>> N :: 121.98(4.07) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.43 R 0.09 M 0.01 C Shift Assignments>> C :: 179.700 CA :: 60.760 CB :: 31.950 CG :: 24.943 CD :: 29.590 CE :: 41.477 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.699 HA :: 3.899 HB2 :: 2.012 HB3 :: 2.012 HG2 :: 1.446 HG3 :: 1.446 HD2 :: 1.675 HD3 :: 1.675 HE2 :: 2.938 HE3 :: 2.938 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.221 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> 1.K48 1.K48 C Shift Assignments>> C :: 178.100 CA :: 66.610 CB :: 32.040 CG1 :: 22.873 CG2 :: 21.096 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.616 HA :: 3.740 HB :: 2.157 HG11 :: 1.105 HG12 :: 1.105 HG13 :: 1.105 HG21 :: 1.008 HG22 :: 1.008 HG23 :: 1.008 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.029 Ave N Shift Values>> N :: 121.02(4.96) 1.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> C :: 179.000 CA :: 62.830 CB :: 39.040 CD1 :: 132.268 CD2 :: 132.268 CE1 :: 119.155 CE2 :: 119.155 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.998 HA :: 4.029 HB2 :: 3.200 HB3 :: 3.305 HD1 :: 7.077 HD2 :: 7.077 HE1 :: 6.816 HE2 :: 6.816 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.235 Ave N Shift Values>> N :: 120.79(4.69) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.08 V 0.04 C Shift Assignments>> C :: 176.800 CA :: 65.290 CB :: 26.040 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.833 HA :: 3.889 HB2 :: 2.950 HB3 :: 3.342 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.092 Ave N Shift Values>> N :: 119.95(4.79) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.39 I 0.03 C 0.02 HN Overlap>> 1.K10 1.K10 C Shift Assignments>> C :: 180.900 CA :: 54.880 CB :: 18.010 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.238 HA :: 4.215 HB1 :: 1.525 HB2 :: 1.525 HB3 :: 1.525 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.005 Ave N Shift Values>> N :: 123.23(3.7) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.18 M 0.02 C Shift Assignments>> C :: 177.100 CA :: 58.490 CB :: 32.900 CG :: 25.144 CD :: 29.375 CE :: 42.021 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.883 HA :: 4.044 HB2 :: 1.745 HB3 :: 1.745 HG2 :: 1.377 HG3 :: 1.482 HD2 :: 1.617 HD3 :: 1.617 HE2 :: 2.924 HE3 :: 2.924 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.252 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.38 C 0.17 C Shift Assignments>> C :: 172.600 CA :: 53.490 CB :: 39.930 CG :: 176.950 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.122 HA :: 4.698 HB2 :: 1.823 HB3 :: 2.665 HD21 :: 6.256 HD22 :: 6.986 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.516 ND2 :: 118.036 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 N 0.28 D 0.14 E 0.09 C Shift Assignments>> C :: 173.600 CA :: 54.490 CB :: 37.050 CG :: 178.452 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.650 HA :: 4.364 HB2 :: 2.662 HB3 :: 3.067 HD21 :: 6.777 HD22 :: 7.551 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.989 ND2 :: 112.569 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.24 L 0.22 A 0.01 HN Overlap>> 1.L51 1.L51 C Shift Assignments>> C :: 177.100 CA :: 53.380 CB :: 46.170 CG :: 26.580 CD1 :: 24.224 CD2 :: 26.167 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.356 HA :: 4.741 HB2 :: 1.448 HB3 :: 1.515 HG :: 1.515 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 HD21 :: 1.013 HD22 :: 1.013 HD23 :: 1.013 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.046 Ave N Shift Values>> N :: 121.98(4.07) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.44 C 0.37 E 0.18 C Shift Assignments>> C :: 177.400 CA :: 54.870 CB :: 29.490 CG :: 33.837 CD :: 180.315 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.649 HA :: 4.436 HB2 :: 1.950 HB3 :: 1.950 HG2 :: 2.346 HG3 :: 2.495 HE21 :: 6.911 HE22 :: 7.659 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.404 NE2 :: 113.854 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 L 0.39 R 0.16 G 0.01 C Shift Assignments>> C :: 178.800 CA :: 59.270 CB :: 42.190 CG :: 27.804 CD1 :: 25.362 CD2 :: 25.362 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.862 HA :: 4.288 HB2 :: 1.626 HB3 :: 1.781 HG :: 1.738 HD11 :: 0.920 HD12 :: 0.920 HD13 :: 0.920 HD21 :: 0.868 HD22 :: 0.868 HD23 :: 0.868 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.026 Ave N Shift Values>> N :: 121.98(4.07) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.700 CA :: 66.760 CB :: 68.620 CG2 :: 22.212 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.408 HA :: 3.819 HB :: 4.154 HG21 :: 1.307 HG22 :: 1.307 HG23 :: 1.307 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.087 Ave N Shift Values>> N :: 115.7(5.05) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.23 K 0.22 E 0.15 R 0.04 I 0.03 M 0.02 C Shift Assignments>> C :: 178.000 CA :: 58.650 CB :: 28.850 CG :: 34.124 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 6.817 HA :: 4.192 HB2 :: 2.187 HB3 :: 2.294 HG2 :: 2.435 HG3 :: 2.435 HE21 :: 6.915 HE22 :: 7.742 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.955 NE2 :: 112.659 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.38 C 0.05 L 0.02 V 0.02 I 0.01 T 0.01 C Shift Assignments>> C :: 178.300 CA :: 55.190 CB :: 19.570 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.755 HA :: 4.002 HB1 :: 1.412 HB2 :: 1.412 HB3 :: 1.412 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.978 Ave N Shift Values>> N :: 123.23(3.7) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 177.300 CA :: 65.600 CB :: 37.550 CG2 :: 17.063 CD1 :: 13.835 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.118 HA :: 3.184 HB :: 1.810 HG12 :: 0.905 HG13 :: 0.905 HG21 :: 0.694 HG22 :: 0.694 HG23 :: 0.694 HD11 :: 0.745 HD12 :: 0.745 HD13 :: 0.745 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.574 Ave N Shift Values>> N :: 121.6(4.72) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.31 E 0.11 C Shift Assignments>> C :: 178.400 CA :: 61.090 CB :: 29.630 CG :: 38.204 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.990 HA :: 3.678 HB2 :: 2.140 HB3 :: 2.184 HG2 :: 1.978 HG3 :: 2.603 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.630 Ave N Shift Values>> N :: 120.68(3.68) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.21 K 0.06 M 0.02 Q 0.02 C Shift Assignments>> C :: 178.600 CA :: 59.650 CB :: 29.730 CG :: 36.340 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.110 HA :: 3.939 HB2 :: 2.117 HB3 :: 2.117 HG2 :: 2.409 HG3 :: 2.527 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.927 Ave N Shift Values>> N :: 120.68(3.68) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.28 I 0.04 C 0.02 HN Overlap>> 1.D23 1.D23 1.V15 1.V15 C Shift Assignments>> C :: 181.500 CA :: 55.080 CB :: 17.090 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.363 HA :: 3.859 HB1 :: 0.931 HB2 :: 0.931 HB3 :: 0.931 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.991 Ave N Shift Values>> N :: 123.23(3.7) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 HN Overlap>> 1.Q52 1.Q52 C Shift Assignments>> C :: 177.000 CA :: 65.110 CB :: 37.522 CG1 :: 29.030 CG2 :: 18.592 CD1 :: 13.689 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.496 HA :: 3.447 HB :: 1.942 HG12 :: 0.902 HG13 :: 1.645 HG21 :: 0.804 HG22 :: 0.804 HG23 :: 0.804 HD11 :: 0.599 HD12 :: 0.599 HD13 :: 0.599 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.499 Ave N Shift Values>> N :: 121.6(4.72) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.26 R 0.23 G 0.01 HN Overlap>> 1.V30 1.V30 C Shift Assignments>> C :: 179.400 CA :: 61.430 CB :: 32.340 CG :: 26.624 CD :: 29.739 CE :: 41.715 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.546 HA :: 3.763 HB2 :: 1.952 HB3 :: 1.685 HG2 :: 1.280 HG3 :: 1.280 HD2 :: 1.685 HD3 :: 1.685 HE2 :: 2.895 HE3 :: 2.895 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.030 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.34 E 0.25 K 0.01 M 0.01 C Shift Assignments>> C :: 178.400 CA :: 60.230 CB :: 29.960 CG :: 37.406 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.518 HA :: 3.979 HB2 :: 2.107 HB3 :: 2.107 HG2 :: 2.299 HG3 :: 2.735 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.574 Ave N Shift Values>> N :: 120.68(3.68) 1.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 178.000 CA :: 60.670 CB :: 39.550 CD1 :: 132.165 CD2 :: 132.165 CE1 :: 117.790 CE2 :: 117.790 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.980 HA :: 4.160 HB2 :: 3.141 HB3 :: 3.141 HD1 :: 6.625 HD2 :: 6.625 HE1 :: 6.417 HE2 :: 6.417 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.810 Ave N Shift Values>> N :: 120.79(4.69) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.39 R 0.1 A 0.02 G 0.01 HN Overlap>> 1.L37 1.L37 C Shift Assignments>> C :: 179.600 CA :: 57.140 CB :: 41.780 CG :: 26.439 CD1 :: 22.122 CD2 :: 26.431 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.342 HA :: 3.464 HB2 :: 1.073 HB3 :: 1.750 HG :: 1.807 HD11 :: 0.465 HD12 :: 0.465 HD13 :: 0.465 HD21 :: 0.645 HD22 :: 0.645 HD23 :: 0.645 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.934 Ave N Shift Values>> N :: 121.98(4.07) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 Q 0.38 E 0.07 HN Overlap>> 1.I47 1.I47 C Shift Assignments>> C :: 179.500 CA :: 59.140 CB :: 28.230 CG :: 33.840 CD :: 178.535 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.397 HA :: 4.052 HB2 :: 2.097 HB3 :: 2.196 HG2 :: 2.364 HG3 :: 2.452 HE21 :: 6.868 HE22 :: 7.469 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.458 NE2 :: 111.517 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.17 M 0.02 C Shift Assignments>> C :: 176.900 CA :: 58.330 CB :: 32.720 CG :: 24.993 CD :: 29.361 CE :: 42.006 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.534 HA :: 4.038 HB2 :: 1.750 HB3 :: 1.829 HG2 :: 1.483 HG3 :: 1.363 HD2 :: 1.653 HD3 :: 1.653 HE2 :: 2.894 HE3 :: 2.894 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.094 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R54 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 K 0.28 R 0.23 L 0.02 C Shift Assignments>> C :: 174.500 CA :: 55.560 CB :: 29.660 CG :: 28.299 CD :: 41.065 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.789 HA :: 4.155 HB2 :: 0.631(S) HB3 :: 2.097 HG2 :: 1.135 HG3 :: 1.323 HD2 :: 1.467(S) HD3 :: 2.539 HE :: 6.978 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.828 NE :: 87.217 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD2 > HB3 : 0.9951) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 N 0.27 D 0.18 E 0.08 C Shift Assignments>> C :: 174.100 CA :: 54.760 CB :: 37.370 CG :: 178.484 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.651 HA :: 4.456 HB2 :: 2.792 HB3 :: 3.086 HD21 :: 6.804 HD22 :: 7.524 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.626 ND2 :: 112.455 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> CA :: 45.540 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.297 HA2 :: 3.108 HA3 :: 4.352 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.201 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 55 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 55 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 55 #Suspicious: 1 C Shift Results: #Consistent: 261 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 423 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 64 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R54 HB2 = 0.631(S), Expected = 1.79, Std = 0.2800, ChiSquare = 3.4839e-05 1.R54 HD2 = 1.467(S), Expected = 3.13, Std = 0.2300, ChiSquare = 4.8145e-13 1.R54 SRO Rule Break>> HD2 > HB3 : 0.995112016293279