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.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 170.6670 CA :: 61.7400 CB :: 69.5900 CG2 :: 21.7060 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 :: 3.8900 HB :: 4.0640 HG21 :: 1.2170 HG22 :: 1.2170 HG23 :: 1.2170 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) 1.V3 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 :: 174.6400 CA :: 62.2780 CB :: 33.0460 CG1 :: 21.5800 CG2 :: 21.5800 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 :: 8.7030 HA :: 4.7770 HB :: 2.3370 HG11 :: 0.7040 HG12 :: 0.7040 HG13 :: 0.7040 HG21 :: 1.0220 HG22 :: 1.0220 HG23 :: 1.0220 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 :: 126.6360 Ave N Shift Values>> N :: 121.14(4.54) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 172.0200 CA :: 61.7150 CB :: 70.4750 CG2 :: 21.3400 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 :: 8.9550 HA :: 4.9530 HB :: 3.6850 HG21 :: 0.4110 HG22 :: 0.4110 HG23 :: 0.4110 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 :: 124.2850 Ave N Shift Values>> N :: 115.42(4.75) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 173.5400 CA :: 60.8330 CB :: 33.2130 CG1 :: 22.1000 CG2 :: 20.6400 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 :: 8.9330 HA :: 4.4650 HB :: 1.8290 HG11 :: 0.4770 HG12 :: 0.4770 HG13 :: 0.4770 HG21 :: 0.6350 HG22 :: 0.6350 HG23 :: 0.6350 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 :: 125.7600 Ave N Shift Values>> N :: 121.14(4.54) 1.Y6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 176.1100 CA :: 57.5840 CB :: 37.5510 CD1 :: 133.2600 CD2 :: 133.2600 CE1 :: 117.8000 CE2 :: 117.8000 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 :: 9.7180 HA :: 5.2960 HB2 :: 2.8040 HB3 :: 3.0320 HD1 :: 6.8640 HD2 :: 6.8640 HE1 :: 6.6280 HE2 :: 6.6280 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 :: 128.8140 Ave N Shift Values>> N :: 120.52(4.2) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.22 C Shift Assignments>> C :: 171.2000 CA :: 59.7330 CB :: 71.5300 CG2 :: 21.0600 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 :: 9.2240 HA :: 4.7250 HB :: 3.9520 HG21 :: 0.9860 HG22 :: 0.9860 HG23 :: 0.9860 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 :: 116.1760 Ave N Shift Values>> N :: 115.42(4.75) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.38 R 0.04 G 0.01 A 0.01 C Shift Assignments>> C :: 173.0500 CA :: 54.6010 CB :: 33.9400 CG :: 24.0400 CD :: 29.5900 CE :: 42.2000 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 :: 7.6050 HA :: 4.9450 HB2 :: 1.8670 HB3 :: 1.7920 HG2 :: 1.4520 HG3 :: 1.3050 HD2 :: 1.6860 HD3 :: 1.7450 HE2 :: 2.9850 HE3 :: 2.9850 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 :: 116.4940 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 175.8400 CA :: 63.0330 CB :: 32.3010 CG :: 27.7500 CD :: 50.8000 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 :: 4.4180 HB2 :: 2.3770 HB3 :: 1.7900 HG2 :: 2.0400 HG3 :: 1.9840 HD2 :: 4.1280 HD3 :: 3.5690 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.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.41 C 0.01 C Shift Assignments>> C :: 175.7000 CA :: 52.6030 CB :: 16.4720 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7440 HA :: 3.9540 HB1 :: 1.3370 HB2 :: 1.3370 HB3 :: 1.3370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.1830 Ave N Shift Values>> N :: 123.23(3.54) 1.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.19 G 0.19 D 0.17 C 0.04 F 0.02 K 0.02 N 0.01 Y 0.01 HN Overlap>> 1.D41 1.D41 C Shift Assignments>> C :: 174.8300 CA :: 52.4730 CB :: 43.4900 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.2280 HA :: 4.9410 HB2 :: 3.2320 HB3 :: 3.4530 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 :: 118.9960 Ave N Shift Values>> N :: 120.17(4.64) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 179.4900 CA :: 66.4500 CB :: 31.5080 CG1 :: 21.1400 CG2 :: 21.1400 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 :: 9.2170 HA :: 3.9800 HB :: 2.1110 HG11 :: 0.9890 HG12 :: 0.9890 HG13 :: 0.9890 HG21 :: 1.0700 HG22 :: 1.0700 HG23 :: 1.0700 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 :: 132.0100 Ave N Shift Values>> N :: 121.14(4.54) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.21 K 0.16 Q 0.14 I 0.09 R 0.01 C Shift Assignments>> C :: 179.6400 CA :: 59.3410 CB :: 28.7440 CG :: 35.0800 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 :: 9.5180 HA :: 4.1390 HB2 :: 2.1110 HB3 :: 2.1110 HG2 :: 2.7670 HG3 :: 2.5710 HE21 :: 7.6540 HE22 :: 7.0190 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 :: 118.5430 NE2 :: 112.2350 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 P 0.36 C 0.12 C Shift Assignments>> C :: 175.1900 CA :: 64.2380 CB :: 32.7710 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.7040 HA :: 4.1930 HB2 :: 3.1900 HB3 :: 4.2560 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 :: 120.5330 Ave N Shift Values>> N :: 120.17(4.64) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.3300 CA :: 61.3170 CB :: 62.3830 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1010 HA :: 4.3410 HB2 :: 3.9620 HB3 :: 3.9620 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 :: 118.4760 Ave N Shift Values>> N :: 116.28(3.52) 1.A16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.72 A 0.22 I 0.03 C 0.01 C Shift Assignments>> C :: 180.1800 CA :: 55.1240 CB :: 16.6680 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1070 HA :: 3.7840 HB1 :: 0.4340(S) HB2 :: 0.4340(S) HB3 :: 0.4340(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.7020 Ave N Shift Values>> N :: 123.23(3.54) 1.T17 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 :: 174.4900 CA :: 67.8890 CB :: 69.0160 CG2 :: 21.1090 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 :: 7.2420 HA :: 3.9210 HB :: 4.4540 HG21 :: 1.1030 HG22 :: 1.1030 HG23 :: 1.1030 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 :: 114.3960 Ave N Shift Values>> N :: 115.42(4.75) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.1500 CA :: 62.8230 CB :: 62.0310 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0630 HA :: 3.6520 HB2 :: 3.7890 HB3 :: 4.1890 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 :: 117.7850 Ave N Shift Values>> N :: 116.28(3.52) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.42 R 0.11 HN Overlap>> 1.E81 1.E81 C Shift Assignments>> C :: 179.2200 CA :: 59.5220 CB :: 32.2990 CG :: 25.4100 CD :: 29.2400 CE :: 42.2000 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 :: 8.1210 HA :: 4.1500 HB2 :: 1.8020 HB3 :: 1.8020 HG2 :: 1.4700 HG3 :: 1.5960 HD2 :: 1.6200 HD3 :: 1.6200 HE2 :: 2.9230 HE3 :: 2.9230 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 :: 120.5200 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.38 C 0.04 I 0.02 V 0.01 L 0.01 HN Overlap>> 1.A73 1.A73 C Shift Assignments>> C :: 180.7900 CA :: 55.1800 CB :: 18.9930 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7520 HA :: 4.3080 HB1 :: 1.7910 HB2 :: 1.7910 HB3 :: 1.7910 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3270 Ave N Shift Values>> N :: 123.23(3.54) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.42 R 0.08 HN Overlap>> 1.L80 1.L80 C Shift Assignments>> C :: 179.2800 CA :: 58.7040 CB :: 42.0000 CG :: 26.6480 CD1 :: 26.6480 CD2 :: 25.1510 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 :: 8.1110 HA :: 3.8470 HB2 :: 1.3580 HB3 :: 1.7310 HG :: 1.6480 HD11 :: 0.0360 HD12 :: 0.0360 HD13 :: 0.0360 HD21 :: 0.7210 HD22 :: 0.7210 HD23 :: 0.7210 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 :: 120.3790 Ave N Shift Values>> N :: 121.86(3.9) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 C 0.12 L 0.1 D 0.09 I 0.06 K 0.03 N 0.02 C Shift Assignments>> C :: 180.6600 CA :: 57.5440 CB :: 40.2050 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 :: 8.6560 HA :: 4.5830 HB2 :: 3.0300 HB3 :: 2.7610 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 :: 119.9310 Ave N Shift Values>> N :: 120.65(3.86) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.42 R 0.12 C Shift Assignments>> C :: 178.3000 CA :: 58.8790 CB :: 32.3680 CG :: 24.9500 CD :: 29.1100 CE :: 42.2800 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 :: 8.2530 HA :: 4.1000 HB2 :: 2.0160 HB3 :: 2.0160 HG2 :: 1.5740 HG3 :: 1.5740 HD2 :: 1.7460 HD3 :: 1.7460 HE2 :: 3.0050 HE3 :: 3.0050 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 :: 120.8520 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.23 C 0.22 E 0.1 M 0.09 R 0.01 C Shift Assignments>> C :: 176.0000 CA :: 55.1940 CB :: 29.7100 CG :: 34.1400 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 :: 7.5340 HA :: 4.3400 HB2 :: 2.3530 HB3 :: 1.9830 HG2 :: 2.5310 HG3 :: 2.3790 HE21 :: 7.4210 HE22 :: 6.9190 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 :: 115.1170 NE2 :: 111.4310 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 174.6300 CA :: 46.3170 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9490 HA2 :: 3.8980 HA3 :: 4.0140 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.4240 Ave N Shift Values>> N :: 109.67(3.87) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 175.3900 CA :: 59.8080 CB :: 38.8790 CG1 :: 27.5100 CG2 :: 17.5340 CD1 :: 13.2000 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 :: 7.6820 HA :: 4.0840 HB :: 1.7850 HG12 :: 1.4350 HG13 :: 1.1770 HG21 :: 0.9510 HG22 :: 0.9510 HG23 :: 0.9510 HD11 :: 0.8170 HD12 :: 0.8170 HD13 :: 0.8170 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 :: 120.9480 Ave N Shift Values>> N :: 121.46(4.28) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C 0.01 C Shift Assignments>> C :: 177.2360 CA :: 51.9910 CB :: 18.9930 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4710 HA :: 4.4290 HB1 :: 1.3700 HB2 :: 1.3700 HB3 :: 1.3700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.2600 Ave N Shift Values>> N :: 123.23(3.54) 1.Y28 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>> C :: 173.6900 CA :: 55.6910 CB :: 41.2620 CD1 :: 134.2700 CD2 :: 134.2700 CE1 :: 117.5400 CE2 :: 117.5400 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 :: 7.9100 HA :: 5.3550 HB2 :: 2.5980 HB3 :: 2.6900 HD1 :: 6.9070 HD2 :: 6.9070 HE1 :: 6.7150 HE2 :: 6.7150 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 :: 117.4990 Ave N Shift Values>> N :: 120.52(4.2) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 Q 0.24 C 0.24 K 0.05 E 0.03 C Shift Assignments>> C :: 174.4400 CA :: 53.7430 CB :: 31.2140 CG :: 33.6000 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 :: 8.5760 HA :: 4.5700 HB2 :: 1.9490 HB3 :: 1.9490 HG2 :: 2.2540 HG3 :: 2.2540 HE21 :: 7.3900 HE22 :: 6.7880 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 :: 118.9380 NE2 :: 111.9210 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.37 R 0.14 C Shift Assignments>> C :: 176.0400 CA :: 55.3800 CB :: 34.8730 CG :: 25.3500 CD :: 29.6800 CE :: 41.8000 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 :: 8.7580 HA :: 5.3400 HB2 :: 1.6970 HB3 :: 1.6970 HG2 :: 1.4980 HG3 :: 1.2990 HD2 :: 1.7580 HD3 :: 1.7580 HE2 :: 3.0230 HE3 :: 3.0230 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 :: 123.9020 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 173.8200 CA :: 61.5610 CB :: 34.8780 CG1 :: 21.2500 CG2 :: 20.7100 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 :: 8.7870 HA :: 4.0950 HB :: 1.5470 HG11 :: 0.8680 HG12 :: 0.8680 HG13 :: 0.8680 HG21 :: 0.5590 HG22 :: 0.5590 HG23 :: 0.5590 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 :: 125.9550 Ave N Shift Values>> N :: 121.14(4.54) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.2 L 0.19 K 0.06 F 0.05 C 0.05 Y 0.03 R 0.01 C Shift Assignments>> C :: 178.3800 CA :: 52.4550 CB :: 41.1880 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 :: 8.7430 HA :: 4.9640 HB2 :: 3.0050 HB3 :: 2.3100 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 :: 127.8020 Ave N Shift Values>> N :: 120.65(3.86) 1.I33 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>> C :: 176.4500 CA :: 63.5460 CB :: 37.9140 CG1 :: 25.1900 CG2 :: 20.1000 CD1 :: 14.4520 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 :: 9.2430 HA :: 4.4290 HB :: 2.0670 HG12 :: 1.3800 HG13 :: 1.3800 HG21 :: 1.1990 HG22 :: 1.1990 HG23 :: 1.1990 HD11 :: 0.7940 HD12 :: 0.7940 HD13 :: 0.7940 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 :: 120.9840 Ave N Shift Values>> N :: 121.46(4.28) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.0960 CA :: 60.7570 CB :: 63.7140 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.4550 HA :: 4.4680 HB2 :: 3.8470 HB3 :: 4.0410 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 :: 119.8350 Ave N Shift Values>> N :: 116.28(3.52) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.24 G 0.2 R 0.03 A 0.02 C Shift Assignments>> C :: 176.8100 CA :: 55.1160 CB :: 44.1000 CG :: 26.8900 CD1 :: 23.3900 CD2 :: 25.0400 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 :: 7.1280 HA :: 4.5630 HB2 :: 1.6230 HB3 :: 1.7050 HG :: 1.5290 HD11 :: 0.8460 HD12 :: 0.8460 HD13 :: 0.8460 HD21 :: 0.9110 HD22 :: 0.9110 HD23 :: 0.9110 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 :: 121.3530 Ave N Shift Values>> N :: 121.86(3.9) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.23 N 0.12 K 0.1 F 0.05 C 0.04 Y 0.03 R 0.02 C Shift Assignments>> C :: 175.4700 CA :: 52.9790 CB :: 41.5860 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 :: 7.6880 HA :: 4.8590 HB2 :: 2.8680 HB3 :: 2.4600 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 :: 120.0510 Ave N Shift Values>> N :: 120.65(3.86) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.1500 CA :: 61.3930 CB :: 62.8770 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6260 HA :: 4.0940 HB2 :: 3.9090 HB3 :: 3.9860 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 :: 121.1870 Ave N Shift Values>> N :: 116.28(3.52) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.3 I 0.24 K 0.04 Q 0.01 C Shift Assignments>> C :: 179.8000 CA :: 59.4350 CB :: 29.0750 CG :: 36.7500 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 :: 8.1630 HA :: 4.1540 HB2 :: 2.1810 HB3 :: 2.1090 HG2 :: 2.3860 HG3 :: 2.2710 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 :: 123.3160 Ave N Shift Values>> N :: 120.67(3.48) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.17 C 0.05 L 0.03 V 0.01 C Shift Assignments>> C :: 179.0800 CA :: 54.5130 CB :: 19.7720 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1330 HA :: 4.2930 HB1 :: 1.5840 HB2 :: 1.5840 HB3 :: 1.5840 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.6310 Ave N Shift Values>> N :: 123.23(3.54) 1.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.36 G 0.11 K 0.01 C Shift Assignments>> C :: 178.1870 CA :: 60.3710 CB :: 29.4080 CG :: 27.4300 CD :: 43.5000 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 :: 8.0900 HA :: 3.7620 HB2 :: 2.1490 HB3 :: 2.3350 HG2 :: 1.5230 HG3 :: 1.6660 HD2 :: 3.2740 HD3 :: 3.2740 HE :: 7.0130 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 :: 118.7250 NE :: 84.3770 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.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.28 C 0.13 D 0.09 L 0.08 I 0.07 N 0.02 K 0.01 HN Overlap>> 1.C11 1.C11 C Shift Assignments>> C :: 178.8300 CA :: 57.4470 CB :: 39.7680 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 :: 8.1840 HA :: 4.3560 HB2 :: 2.8470 HB3 :: 2.6580 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 :: 118.9870 Ave N Shift Values>> N :: 120.65(3.86) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 177.1700 CA :: 61.0080 CB :: 38.0520 CD1 :: 133.1400 CD2 :: 133.1400 CE1 :: 117.8200 CE2 :: 117.8200 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 :: 8.0270 HA :: 4.2620 HB2 :: 3.1610 HB3 :: 3.1610 HD1 :: 6.8210 HD2 :: 6.8210 HE1 :: 6.6310 HE2 :: 6.6310 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 :: 123.2250 Ave N Shift Values>> N :: 120.52(4.2) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 178.6500 CA :: 66.0080 CB :: 31.2590 CG1 :: 22.1400 CG2 :: 21.0700 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 :: 7.9930 HA :: 3.3410 HB :: 2.0230 HG11 :: 0.4760 HG12 :: 0.4760 HG13 :: 0.4760 HG21 :: 0.7510 HG22 :: 0.7510 HG23 :: 0.7510 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 :: 115.0020 Ave N Shift Values>> N :: 121.14(4.54) 1.M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.45 C Shift Assignments>> C :: 180.7000 CA :: 58.6760 CB :: 32.4340 CG :: 32.3000 CE :: 17.0300 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 :: 7.9920 HA :: 4.4090 HB2 :: 2.1240 HB3 :: 2.1240 HG2 :: 2.7570 HG3 :: 2.5390 HE1 :: 2.0650 HE2 :: 2.0650 HE3 :: 2.0650 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 :: 119.4910 Ave N Shift Values>> N :: 120.09(3.57) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.42 I 0.02 C 0.01 C Shift Assignments>> C :: 179.8000 CA :: 54.5420 CB :: 17.6340 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0440 HA :: 4.0710 HB1 :: 1.4390 HB2 :: 1.4390 HB3 :: 1.4390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.8670 Ave N Shift Values>> N :: 123.23(3.54) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.29 A 0.13 G 0.04 R 0.01 C Shift Assignments>> C :: 176.9000 CA :: 55.4850 CB :: 42.7970 CG :: 25.3700 CD1 :: 24.9300 CD2 :: 21.7500 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 :: 7.2650 HA :: 3.8590 HB2 :: 1.6490 HB3 :: 1.0180 HG :: 1.1180 HD11 :: 0.1900 HD12 :: 0.1900 HD13 :: 0.1900 HD21 :: 0.3250 HD22 :: 0.3250 HD23 :: 0.3250 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 :: 117.4970 Ave N Shift Values>> N :: 121.86(3.9) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.25 R 0.15 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.9300 CA :: 44.4010 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.5100 HA2 :: 3.9400 HA3 :: 3.4600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.1150 Ave N Shift Values>> N :: 109.67(3.87) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 C Shift Assignments>> C :: 174.8800 CA :: 57.2740 CB :: 40.1870 CD1 :: 133.2800 CD2 :: 133.2800 CE1 :: 117.6000 CE2 :: 117.6000 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 :: 7.3230 HA :: 4.7770 HB2 :: 2.9190 HB3 :: 2.4390 HD1 :: 6.9740 HD2 :: 6.9740 HE1 :: 6.6840 HE2 :: 6.6840 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 :: 119.4410 Ave N Shift Values>> N :: 120.52(4.2) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.24 G 0.19 R 0.03 A 0.02 HN Overlap>> 1.H83 1.H83 C Shift Assignments>> C :: 177.0000 CA :: 55.0950 CB :: 44.0630 CG :: 27.0600 CD1 :: 23.2700 CD2 :: 25.0000 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 :: 8.4040 HA :: 4.4570 HB2 :: 1.6380 HB3 :: 1.6380 HG :: 1.6030 HD11 :: 0.8440 HD12 :: 0.8440 HD13 :: 0.8440 HD21 :: 0.9040 HD22 :: 0.9040 HD23 :: 0.9040 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 :: 119.6820 Ave N Shift Values>> N :: 121.86(3.9) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.26 Q 0.21 K 0.04 E 0.01 C Shift Assignments>> C :: 173.5300 CA :: 54.0470 CB :: 31.4340 CG :: 33.1900 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 :: 7.7650 HA :: 4.6510 HB2 :: 2.0910 HB3 :: 1.9290 HG2 :: 2.3500 HG3 :: 2.3500 HE21 :: 7.5620 HE22 :: 6.9490 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 :: 117.1070 NE2 :: 112.3630 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.03 C 0.01 C Shift Assignments>> C :: 174.5800 CA :: 49.6410 CB :: 18.6940 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1570 HA :: 4.2680 HB1 :: 1.3110 HB2 :: 1.3110 HB3 :: 1.3110 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.5590 Ave N Shift Values>> N :: 123.23(3.54) 1.P52 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.94 A 0.05 C Shift Assignments>> C :: 174.9200 CA :: 61.4220 CB :: 35.2530 CG :: 23.3700(S) CD :: 51.0000 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 :: 5.2250 HB2 :: 2.3310 HB3 :: 1.7670 HG2 :: 1.7440 HG3 :: 1.6850 HD2 :: 3.5690 HD3 :: 3.2280 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.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.48 HN Overlap>> 1.H82 1.H82 C Shift Assignments>> C :: 173.9900 CA :: 61.2520 CB :: 35.3390 CG1 :: 22.1600 CG2 :: 20.9500 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 :: 8.2890 HA :: 4.5440 HB :: 1.7710 HG11 :: 0.6510 HG12 :: 0.6510 HG13 :: 0.6510 HG21 :: 0.5120 HG22 :: 0.5120 HG23 :: 0.5120 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 :: 119.3230 Ave N Shift Values>> N :: 121.14(4.54) 1.V54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 173.9280 CA :: 60.4330 CB :: 32.4490 CG1 :: 21.1600 CG2 :: 21.9600 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 :: 8.5290 HA :: 4.6050 HB :: -0.1720(S) HG11 :: 0.1180 HG12 :: 0.1180 HG13 :: 0.1180 HG21 :: 0.5590 HG22 :: 0.5590 HG23 :: 0.5590 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 :: 128.0260 Ave N Shift Values>> N :: 121.14(4.54) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 174.8300 CA :: 61.6000 CB :: 33.9310 CG1 :: 21.0800 CG2 :: 21.6700 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 :: 8.6690 HA :: 4.4810 HB :: 2.1470 HG11 :: 1.1210 HG12 :: 1.1210 HG13 :: 1.1210 HG21 :: 1.0200 HG22 :: 1.0200 HG23 :: 1.0200 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 :: 124.0950 Ave N Shift Values>> N :: 121.14(4.54) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 C 0.04 L 0.03 C Shift Assignments>> C :: 176.7000 CA :: 49.8750 CB :: 21.1050 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9770 HA :: 5.1130 HB1 :: 1.3020 HB2 :: 1.3020 HB3 :: 1.3020 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 133.2110 Ave N Shift Values>> N :: 123.23(3.54) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 174.5600 CA :: 47.4690 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6140 HA2 :: 3.7520 HA3 :: 4.0570 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.2550 Ave N Shift Values>> N :: 109.67(3.87) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.21 C 0.08 F 0.08 Y 0.08 L 0.06 C Shift Assignments>> C :: 174.2700 CA :: 53.5030 CB :: 39.0870 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 :: 9.0250 HA :: 4.8570 HB2 :: 2.9820 HB3 :: 2.7650 HD21 :: 7.6740 HD22 :: 6.9870 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 :: 125.1260 ND2 :: 113.2290 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.21 G 0.18 D 0.13 C 0.04 F 0.03 K 0.01 Y 0.01 C Shift Assignments>> C :: 174.1350 CA :: 53.4230 CB :: 43.7520 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 :: 8.1220 HA :: 4.9400 HB2 :: 2.8870 HB3 :: 2.8870 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 :: 120.9900 Ave N Shift Values>> N :: 120.65(3.86) 1.H60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 H 0.36 W 0.21 C Shift Assignments>> C :: 174.3760 CA :: 54.0390 CB :: 33.8300 CD2 :: 119.7500 CE1 :: 138.0200 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 :: 7.9980 HA :: 5.5440 HB2 :: 3.4650 HB3 :: 2.8930 HD2 :: 7.0520 HE1 :: 8.0130 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 :: 115.5080 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.W61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.49 C Shift Assignments>> C :: 172.3100 CA :: 57.4650 CB :: 30.3250 CD1 :: 126.2200 CE3 :: 121.2600 CZ2 :: 112.8500 CZ3 :: 121.8000 CH2 :: 123.8940 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 :: 8.4150 HA :: 5.1630 HB2 :: 3.6890 HB3 :: 3.1570 HD1 :: 6.8130 HE1 :: 9.8770 HE3 :: 7.1790 HZ2 :: 6.8590 HZ3 :: 6.9180 HH2 :: 6.7830 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 :: 115.5770 NE1 :: 128.0590 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.72 T 0.27 C Shift Assignments>> C :: 175.3600 CA :: 55.5140 CB :: 67.0990 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4740 HA :: 5.5250 HB2 :: 3.8390 HB3 :: 3.3110 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 :: 111.7460 Ave N Shift Values>> N :: 116.28(3.52) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 L 0.28 R 0.23 C 0.04 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.6800 CA :: 44.1300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1610 HA2 :: 4.4770 HA3 :: 3.7900 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.0130 Ave N Shift Values>> N :: 109.67(3.87) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.31 C 0.25 C Shift Assignments>> C :: 174.0900 CA :: 56.3400 CB :: 38.2120 CD1 :: 131.4000 CD2 :: 131.4000 CE1 :: 131.4000 CE2 :: 131.4000 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 :: 8.9660 HA :: 4.9730 HB2 :: 3.1490 HB3 :: 3.1490 HD1 :: 7.3000 HD2 :: 7.3000 HE1 :: 7.2000 HE2 :: 7.2000 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 :: 119.5810 Ave N Shift Values>> N :: 120.45(4.18) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.26 K 0.25 G 0.06 L 0.05 C Shift Assignments>> C :: 173.0100 CA :: 50.8750 CB :: 29.6880 CG :: 26.1000 CD :: 42.0700 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 :: 7.6700 HA :: 4.7340 HB2 :: 1.1810 HB3 :: 1.0910 HG2 :: 1.3830 HG3 :: 1.3180 HD2 :: 3.2200 HD3 :: 3.0440 HE :: 7.8520 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 :: 127.7070 NE :: 84.5130 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.P66 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.82 C 0.16 C Shift Assignments>> C :: 177.8200 CA :: 64.6500 CB :: 31.1710 CG :: 26.7300 CD :: 49.5900 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 :: 3.7710 HB2 :: 2.0350 HB3 :: 1.8790 HG2 :: 1.7850 HG3 :: 1.5750 HD2 :: 3.4610 HD3 :: 1.4270(S) 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) SRO Rule Breaks>> (HD3 > HG2 : 0.9928) (HD3 > HG3 : 0.9953) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.2 C 0.17 N 0.12 D 0.08 I 0.04 L 0.04 E 0.04 M 0.01 C Shift Assignments>> C :: 178.5000 CA :: 56.2140 CB :: 38.4870 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 :: 8.7890 HA :: 4.1070 HB2 :: 2.6070 HB3 :: 2.3740 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 :: 116.3760 Ave N Shift Values>> N :: 120.65(3.86) 1.R68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.6 C 0.38 K 0.01 C Shift Assignments>> C :: 178.4700 CA :: 55.9770 CB :: 26.0540 CG :: 26.0000 CD :: 40.3200 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 :: 6.7020 HA :: 3.5780 HB2 :: 0.8400(S) HB3 :: 0.4340(S) HG2 :: 0.2890(S) HG3 :: -0.3050(S) HD2 :: 2.6860 HD3 :: 2.5730 HE :: 7.1010 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 :: 120.6250 NE :: 83.1830 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.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 177.2400 CA :: 65.3270 CB :: 38.4630 CG1 :: 29.9800 CG2 :: 16.5000 CD1 :: 15.0000 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 :: 7.3010 HA :: 3.5440 HB :: 1.7630 HG12 :: 2.0160 HG13 :: 1.0200 HG21 :: 0.8390 HG22 :: 0.8390 HG23 :: 0.8390 HD11 :: 1.1130 HD12 :: 1.1130 HD13 :: 1.1130 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 :: 119.1180 Ave N Shift Values>> N :: 121.46(4.28) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.09 C Shift Assignments>> C :: 178.6200 CA :: 59.3160 CB :: 32.2850 CG :: 25.2700 CD :: 29.2500 CE :: 42.0500 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 :: 7.7700 HA :: 3.9690 HB2 :: 1.7960 HB3 :: 1.7960 HG2 :: 1.4680 HG3 :: 1.3930 HD2 :: 1.6220 HD3 :: 1.6220 HE2 :: 2.9260 HE3 :: 2.9260 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 :: 118.2430 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.28 C 0.01 C Shift Assignments>> C :: 179.3400 CA :: 53.7120 CB :: 18.4290 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.1240 HA :: 4.1910 HB1 :: 1.4030 HB2 :: 1.4030 HB3 :: 1.4030 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.4880 Ave N Shift Values>> N :: 123.23(3.54) 1.L72 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 G 0.01 C Shift Assignments>> C :: 178.1000 CA :: 56.6250 CB :: 42.1210 CG :: 26.1400 CD1 :: 23.5600 CD2 :: 25.6800 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 :: 7.5940 HA :: 4.2220 HB2 :: 1.6950 HB3 :: 2.0570 HG :: 2.0840 HD11 :: 1.0000 HD12 :: 1.0000 HD13 :: 1.0000 HD21 :: 1.0570 HD22 :: 1.0570 HD23 :: 1.0570 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 :: 119.1810 Ave N Shift Values>> N :: 121.86(3.9) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.16 C 0.02 HN Overlap>> 1.A20 1.A20 C Shift Assignments>> C :: 178.5900 CA :: 53.5120 CB :: 19.1720 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7760 HA :: 4.2420 HB1 :: 1.5160 HB2 :: 1.5160 HB3 :: 1.5160 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.2220 Ave N Shift Values>> N :: 123.23(3.54) 1.G74 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 :: 174.7500 CA :: 45.8840 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0920 HA2 :: 3.9730 HA3 :: 3.9730 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.6180 Ave N Shift Values>> N :: 109.67(3.87) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.15 C 0.02 C Shift Assignments>> C :: 178.2400 CA :: 53.1760 CB :: 19.0810 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9970 HA :: 4.3080 HB1 :: 1.4580 HB2 :: 1.4580 HB3 :: 1.4580 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.9920 Ave N Shift Values>> N :: 123.23(3.54) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 C 0.01 C Shift Assignments>> C :: 178.5500 CA :: 53.2550 CB :: 18.8800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1810 HA :: 4.3040 HB1 :: 1.4490 HB2 :: 1.4490 HB3 :: 1.4490 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2060 Ave N Shift Values>> N :: 123.23(3.54) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.32 R 0.03 C Shift Assignments>> C :: 178.3300 CA :: 55.9780 CB :: 42.0900 CG :: 26.9700 CD1 :: 23.6400 CD2 :: 24.9800 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 :: 8.0760 HA :: 4.3450 HB2 :: 1.6460 HB3 :: 1.7450 HG :: 1.6830 HD11 :: 0.8840 HD12 :: 0.8840 HD13 :: 0.8840 HD21 :: 0.9450 HD22 :: 0.9450 HD23 :: 0.9450 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 :: 120.0640 Ave N Shift Values>> N :: 121.86(3.9) 1.T78 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 :: 174.9100 CA :: 62.8610 CB :: 69.5860 CG2 :: 21.5800 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 :: 7.9810 HA :: 4.2520 HB :: 4.2600 HG21 :: 1.2230 HG22 :: 1.2230 HG23 :: 1.2230 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 :: 113.8360 Ave N Shift Values>> N :: 115.42(4.75) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.15 C 0.02 C Shift Assignments>> C :: 178.0500 CA :: 53.1630 CB :: 19.0230 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1100 HA :: 4.2960 HB1 :: 1.4220 HB2 :: 1.4220 HB3 :: 1.4220 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.3130 Ave N Shift Values>> N :: 123.23(3.54) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.3 R 0.03 G 0.01 A 0.01 HN Overlap>> 1.L21 1.L21 C Shift Assignments>> C :: 177.6900 CA :: 55.6510 CB :: 42.3690 CG :: 27.0000 CD1 :: 23.6600 CD2 :: 24.7400 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 :: 7.9980 HA :: 4.2480 HB2 :: 1.5510 HB3 :: 1.6380 HG :: 1.6500 HD11 :: 0.8510 HD12 :: 0.8510 HD13 :: 0.8510 HD21 :: 0.9130 HD22 :: 0.9130 HD23 :: 0.9130 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 :: 120.3790 Ave N Shift Values>> N :: 121.86(3.9) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 M 0.1 Q 0.07 K 0.06 I 0.02 HN Overlap>> 1.K19 1.K19 C Shift Assignments>> C :: 176.4000 CA :: 56.6680 CB :: 30.2970 CG :: 36.1000 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 :: 8.1330 HA :: 4.1800 HB2 :: 1.9120 HB3 :: 1.9120 HG2 :: 2.2290 HG3 :: 2.1550 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 :: 120.5200 Ave N Shift Values>> N :: 120.67(3.48) 1.H82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.15 K 0.13 W 0.12 R 0.12 E 0.11 C 0.11 M 0.04 L 0.01 HN Overlap>> 1.V53 1.V53 C Shift Assignments>> C :: 174.6750 CA :: 55.5880 CB :: 29.4020 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 :: 8.3120 HA :: 4.6070 HB2 :: 3.1390 HB3 :: 3.0550 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 :: 119.2600 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.15 K 0.13 W 0.12 R 0.12 E 0.12 C 0.11 M 0.04 L 0.01 HN Overlap>> 1.L49 1.L49 C Shift Assignments>> C :: 174.5800 CA :: 55.6390 CB :: 29.3910 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 :: 8.4370 HA :: 4.6100 HB2 :: 3.1130 HB3 :: 3.1130 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 :: 119.7500 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.15 Q 0.15 R 0.13 W 0.12 E 0.12 K 0.12 C 0.11 M 0.05 C Shift Assignments>> C :: 173.7400 CA :: 55.6900 CB :: 29.6200 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>> HA :: 4.6320 HB2 :: 3.1800 HB3 :: 3.1800 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) 1.H87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.13 Q 0.13 C 0.12 R 0.12 K 0.11 M 0.04 I 0.01 C Shift Assignments>> C :: 178.9900 CA :: 57.2560 CB :: 29.7410 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 :: 8.2740 HA :: 4.4420 HB2 :: 3.2190 HB3 :: 3.0920 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 :: 125.3710 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 82 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 83 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 86 #Suspicious: 1 C Shift Results: #Consistent: 359 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 562 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 88 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A16 HB1 = 0.4340(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.2657e-04 1.A16 HB2 = 0.4340(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.2657e-04 1.A16 HB3 = 0.4340(S), Expected = 1.35, Std = 0.2600, ChiSquare = 4.2657e-04 1.P52 Typing: Mistyped 1.P52 CG = 23.3700(S), Expected = 27.17, Std = 1.0900, ChiSquare = 4.8986e-04 1.V54 HB = -0.1720(S), Expected = 1.98, Std = 0.3200, ChiSquare = 1.7559e-11 1.P66 HD3 = 1.4270(S), Expected = 3.61, Std = 0.3900, ChiSquare = 2.1755e-08 1.P66 SRO Rule Break>> HD3 > HG2 : 0.992802519118309 1.P66 SRO Rule Break>> HD3 > HG3 : 0.995296331138288 1.R68 HB2 = 0.8400(S), Expected = 1.79, Std = 0.2700, ChiSquare = 4.3396e-04 1.R68 HB3 = 0.4340(S), Expected = 1.76, Std = 0.2800, ChiSquare = 2.1828e-06 1.R68 HG2 = 0.2890(S), Expected = 1.57, Std = 0.2700, ChiSquare = 2.0908e-06 1.R68 HG3 = -0.3050(S), Expected = 1.54, Std = 0.2900, ChiSquare = 1.9905e-10