Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.29 C 0.28 E 0.24 Q 0.13 K 0.02 C Shift Assignments>> C :: 173.1100 CA :: 55.3750 CB :: 35.2650 CG :: 31.3350 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>> HA :: 4.2370 HB2 :: 2.1330 HB3 :: 2.0340 HG2 :: 2.5280 HG3 :: 2.4150 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 C Shift Assignments>> C :: 174.5930 CA :: 59.8920 CB :: 39.7050 CG1 :: 27.4380 CG2 :: 18.2600 CD1 :: 12.6500 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.9200 HA :: 4.7500 HB :: 1.4790 HG12 :: 0.9080 HG13 :: 1.4090 HG21 :: 0.4060 HG22 :: 0.4060 HG23 :: 0.4060 HD11 :: 0.6570 HD12 :: 0.6570 HD13 :: 0.6570 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 :: 126.3820 Ave N Shift Values>> N :: 121.46(4.28) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 172.9170 CA :: 60.4030 CB :: 35.4620 CG1 :: 21.5600 CG2 :: 21.5600 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 :: 8.8160 HA :: 4.5070 HB :: 1.8850 HG11 :: 0.9080 HG12 :: 0.9080 HG13 :: 0.9080 HG21 :: 0.9660 HG22 :: 0.9660 HG23 :: 0.9660 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 :: 122.7290 Ave N Shift Values>> N :: 121.14(4.54) 1.Y4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 175.2090 CA :: 57.6920 CB :: 38.2110 CD1 :: 132.0550 CD2 :: 132.0550 CE1 :: 118.0400 CE2 :: 118.0400 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 :: 8.1230 HA :: 4.7300 HB2 :: 2.4400 HB3 :: 2.2940 HD1 :: 6.5930 HD2 :: 6.5930 HE1 :: 6.2030 HE2 :: 6.2030 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 :: 123.8420 Ave N Shift Values>> N :: 120.52(4.2) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.37 R 0.2 C Shift Assignments>> C :: 176.2760 CA :: 53.9920 CB :: 35.7420 CG :: 25.4460 CD :: 29.8310 CE :: 41.8400 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.1680 HA :: 5.4910 HB2 :: 1.6130 HB3 :: 1.5220 HG2 :: 1.4030 HG3 :: 1.1850 HD2 :: 1.7040 HD3 :: 1.7040 HE2 :: 3.0070 HE3 :: 3.0070 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 :: 123.9220 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.27 R 0.11 C 0.06 F 0.03 D 0.02 Y 0.02 C Shift Assignments>> C :: 179.3230 CA :: 56.2090 CB :: 44.7950 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.2410 HA :: 4.4610 HB2 :: 2.8130 HB3 :: 3.3220 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 :: 128.9220 Ave N Shift Values>> N :: 120.65(3.86) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 HN Overlap>> 1.K71 1.K71 C Shift Assignments>> C :: 174.8400 CA :: 64.6290 CB :: 31.4250 CG1 :: 18.7670 CG2 :: 21.5750 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 :: 8.0880 HA :: 3.9290 HB :: 2.1380 HG11 :: 0.7870 HG12 :: 0.7870 HG13 :: 0.7870 HG21 :: 0.8120 HG22 :: 0.8120 HG23 :: 0.8120 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.2880 Ave N Shift Values>> N :: 121.14(4.54) 1.I8 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 :: 177.5620 CA :: 63.6270 CB :: 38.5280 CG1 :: 28.9670 CG2 :: 16.7500 CD1 :: 13.5700 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 :: 9.1450 HA :: 4.0750 HB :: 2.1680 HG12 :: 1.5110 HG13 :: 1.0470 HG21 :: 0.8270 HG22 :: 0.8270 HG23 :: 0.8270 HD11 :: 0.9040 HD12 :: 0.9040 HD13 :: 0.9040 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.7200 Ave N Shift Values>> N :: 121.46(4.28) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> 1.S79 1.S79 C Shift Assignments>> C :: 176.1250 CA :: 59.2620 CB :: 65.2980 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.5790 HA :: 4.3750 HB2 :: 3.7330 HB3 :: 3.8610 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 :: 114.3220 Ave N Shift Values>> N :: 116.28(3.52) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.9000 CA :: 45.7770 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1920 HA2 :: 3.9200 HA3 :: 3.9200 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.0900 Ave N Shift Values>> N :: 109.67(3.87) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 F 0.16 L 0.16 Y 0.14 N 0.12 C 0.08 K 0.03 I 0.01 HN Overlap>> 1.E125 1.R106 1.E125 1.R106 C Shift Assignments>> C :: 176.3550 CA :: 55.2910 CB :: 40.2610 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 :: 8.1880 HA :: 4.5410 HB2 :: 2.6470 HB3 :: 2.6470 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 :: 119.8060 Ave N Shift Values>> N :: 120.65(3.86) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.37 I 0.08 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> C :: 177.7260 CA :: 57.1610 CB :: 29.5370 CG :: 36.8000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.1230 HA :: 4.6770 HB2 :: 2.3290 HB3 :: 1.9670 HG2 :: 2.4830 HG3 :: 2.4830 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.1830 Ave N Shift Values>> N :: 120.67(3.48) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 HN Overlap>> 1.M148 1.M148 1.D139 1.D139 C Shift Assignments>> C :: 173.1200 CA :: 63.2040 CB :: 34.4410 CG1 :: 21.4780 CG2 :: 21.4780 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 :: 8.3770 HA :: 4.6590 HB :: 2.1330 HG11 :: 1.2210 HG12 :: 1.2210 HG13 :: 1.2210 HG21 :: 0.8850 HG22 :: 0.8850 HG23 :: 0.8850 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.4640 Ave N Shift Values>> N :: 121.14(4.54) 1.V14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.95 V 0.04 C Shift Assignments>> C :: 171.5110 CA :: 61.6880 CB :: 31.6840 CG1 :: 17.1050 CG2 :: 22.1050 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 :: 7.0680 HA :: 2.7490 HB :: 1.8330 HG11 :: -0.2800(S) HG12 :: -0.2800(S) HG13 :: -0.2800(S) HG21 :: 0.8350 HG22 :: 0.8350 HG23 :: 0.8350 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.7210 Ave N Shift Values>> N :: 121.14(4.54) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 S 0.08 C Shift Assignments>> C :: 172.5030 CA :: 56.1650 CB :: 68.3380 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.8270 HA :: 5.6830 HB2 :: 3.9800 HB3 :: 4.3660 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 :: 117.2650 Ave N Shift Values>> N :: 116.28(3.52) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.18 L 0.15 F 0.13 Y 0.11 C 0.07 K 0.02 C Shift Assignments>> C :: 177.0760 CA :: 54.5920 CB :: 40.2010 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 :: 8.9560 HA :: 4.8870 HB2 :: 3.2320 HB3 :: 3.2320 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.0120 Ave N Shift Values>> N :: 120.65(3.86) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.36 C 0.02 I 0.01 C Shift Assignments>> C :: 178.4000 CA :: 54.4110 CB :: 18.5420 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0380 HA :: 4.2410 HB1 :: 1.3870 HB2 :: 1.3870 HB3 :: 1.3870 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.4190 Ave N Shift Values>> N :: 123.23(3.54) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.19 R 0.18 G 0.06 A 0.02 HN Overlap>> 1.Y137 1.Y137 C Shift Assignments>> C :: 175.1800 CA :: 52.6680 CB :: 42.8340 CG :: 28.2800 CD1 :: 25.8400 CD2 :: 24.0100 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 :: 7.4170 HA :: 4.4780 HB2 :: 1.6130 HB3 :: 1.7600 HG :: 1.6770 HD11 :: 0.9630 HD12 :: 0.9630 HD13 :: 0.9630 HD21 :: 0.9340 HD22 :: 0.9340 HD23 :: 0.9340 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 :: 119.5840 Ave N Shift Values>> N :: 121.86(3.9) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.4 R 0.15 C Shift Assignments>> C :: 175.0300 CA :: 56.9350 CB :: 31.8100 CG :: 24.8400 CD :: 29.2500 CE :: 42.2240 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 :: 7.9940 HA :: 4.1380 HB2 :: 1.9090 HB3 :: 1.8230 HG2 :: 1.2870 HG3 :: 1.2870 HD2 :: 1.7170 HD3 :: 1.7170 HE2 :: 3.0030 HE3 :: 3.0030 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 :: 118.9980 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 176.9290 CA :: 61.3860 CB :: 39.2560 CG1 :: 27.6700 CG2 :: 17.4100 CD1 :: 13.4400 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 :: 7.9590 HA :: 4.4600 HB :: 1.4020 HG12 :: 0.5390 HG13 :: 1.3550 HG21 :: 0.1960 HG22 :: 0.1960 HG23 :: 0.1960 HD11 :: 0.1700 HD12 :: 0.1700 HD13 :: 0.1700 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 :: 130.1000 Ave N Shift Values>> N :: 121.46(4.28) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 171.3190 CA :: 59.1710 CB :: 70.5880 CG2 :: 22.0000 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 :: 9.2920 HA :: 5.0310 HB :: 4.4160 HG21 :: 1.1960 HG22 :: 1.1960 HG23 :: 1.1960 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.2190 Ave N Shift Values>> N :: 115.42(4.75) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 176.2520 CA :: 62.8210 CB :: 32.6750 CG :: 27.6500 CD :: 51.0780 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 :: 4.5530 HB2 :: 2.4050 HB3 :: 1.6490 HG2 :: 1.9470 HG3 :: 1.9960 HD2 :: 3.7440 HD3 :: 3.7440 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.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 174.8530 CA :: 62.8550 CB :: 32.4740 CG1 :: 20.4310 CG2 :: 22.5900 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 :: 8.4130 HA :: 3.5930 HB :: 1.3720 HG11 :: 0.0140 HG12 :: 0.0140 HG13 :: 0.0140 HG21 :: 0.6660 HG22 :: 0.6660 HG23 :: 0.6660 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.4030 Ave N Shift Values>> N :: 121.14(4.54) 1.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 C 0.27 Q 0.15 E 0.01 K 0.01 C Shift Assignments>> C :: 176.1850 CA :: 52.7350 CB :: 33.4350 CG :: 31.9000 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.5570 HA :: 5.1360 HB2 :: 1.9050 HB3 :: 1.7610 HG2 :: 2.5350 HG3 :: 2.3310 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 :: 124.8960 Ave N Shift Values>> N :: 120.09(3.57) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.28 E 0.28 Q 0.02 C Shift Assignments>> C :: 176.9570 CA :: 55.6390 CB :: 32.1540 CG :: 36.2800 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.0460 HA :: 4.6740 HB2 :: 1.9590 HB3 :: 1.9590 HG2 :: 2.4440 HG3 :: 2.4440 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 :: 123.6020 Ave N Shift Values>> N :: 120.67(3.48) 1.G26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 173.1410 CA :: 45.0410 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.7340 HA3 :: 4.1300 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.36 E 0.15 Q 0.02 C Shift Assignments>> C :: 174.6660 CA :: 54.2260 CB :: 32.9830 CG :: 35.9600 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 :: 7.5780 HA :: 4.6960 HB2 :: 2.0960 HB3 :: 1.9250 HG2 :: 2.2940 HG3 :: 2.2240 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 :: 119.2230 Ave N Shift Values>> N :: 120.67(3.48) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.34 M 0.14 Q 0.04 K 0.03 I 0.01 C Shift Assignments>> C :: 177.4540 CA :: 56.2380 CB :: 30.6580 CG :: 36.4000 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 :: 8.6350 HA :: 4.7700 HB2 :: 1.8590 HB3 :: 1.8590 HG2 :: 2.2880 HG3 :: 2.1130 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.7740 Ave N Shift Values>> N :: 120.67(3.48) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> C :: 174.1150 CA :: 60.1040 CB :: 32.0990 CG1 :: 20.6400 CG2 :: 20.1700 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 :: 8.8250 HA :: 4.2120 HB :: 1.4190 HG11 :: 0.3740 HG12 :: 0.3740 HG13 :: 0.3740 HG21 :: 0.5620 HG22 :: 0.5620 HG23 :: 0.5620 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 :: 127.8510 Ave N Shift Values>> N :: 121.14(4.54) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.1720 CA :: 63.3760 CB :: 32.4670 CG :: 27.4400 CD :: 51.2260 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 :: 4.4420 HB2 :: 1.9500 HB3 :: 2.3840 HG2 :: 2.2090 HG3 :: 2.1340 HD2 :: 4.1360 HD3 :: 3.7060 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 173.8070 CA :: 45.9320 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4320 HA2 :: 4.3530 HA3 :: 3.8300 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.8610 Ave N Shift Values>> N :: 109.67(3.87) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 C 0.26 L 0.18 A 0.12 C Shift Assignments>> C :: 177.5890 CA :: 52.7260 CB :: 46.9170 CG :: 26.5400 CD1 :: 26.3200 CD2 :: 23.1880 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 :: 6.9620 HA :: 5.7170 HB2 :: 1.3070 HB3 :: 1.2240 HG :: 1.3770 HD11 :: 0.3770 HD12 :: 0.3770 HD13 :: 0.3770 HD21 :: 0.6130 HD22 :: 0.6130 HD23 :: 0.6130 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 :: 116.2700 Ave N Shift Values>> N :: 121.86(3.9) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.18 F 0.17 Y 0.13 D 0.11 C 0.07 R 0.04 I 0.02 HN Overlap>> 1.N149 1.N149 C Shift Assignments>> C :: 171.6400 CA :: 57.1150 CB :: 41.5470 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 :: 8.9310 HA :: 5.0420 HB2 :: 2.7670 HB3 :: 3.1210 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 :: 119.0390 Ave N Shift Values>> N :: 120.45(4.18) 1.E35 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.26 Q 0.2 C 0.18 K 0.15 H 0.06 R 0.05 W 0.03 E 0.01 C Shift Assignments>> C :: 174.3880 CA :: 53.9990 CB :: 33.6000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.9190 HA :: 6.3150(A) HB2 :: 2.0800 HB3 :: 1.9880 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 :: 117.9120 Ave N Shift Values>> N :: 120.67(3.48) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.14 C Shift Assignments>> C :: 175.6190 CA :: 60.7120 CB :: 37.3180 CG1 :: 22.5200 CG2 :: 22.2800 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 :: 9.2660 HA :: 4.6740 HB :: 2.1690 HG11 :: 0.9820 HG12 :: 0.9820 HG13 :: 0.9820 HG21 :: 0.9020 HG22 :: 0.9020 HG23 :: 0.9020 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 :: 115.7860 Ave N Shift Values>> N :: 121.14(4.54) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.19 F 0.14 Y 0.11 N 0.1 C 0.07 K 0.06 HN Overlap>> 1.V178 1.V178 C Shift Assignments>> C :: 175.4570 CA :: 55.0900 CB :: 40.6580 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 :: 8.8650 HA :: 4.7680 HB2 :: 2.6830 HB3 :: 2.6830 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 :: 127.2730 Ave N Shift Values>> N :: 120.65(3.86) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.66 S 0.33 C Shift Assignments>> C :: 171.7330 CA :: 58.6940 CB :: 67.2670 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9280 HA :: 4.8030 HB2 :: 4.0800 HB3 :: 4.0800 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 :: 121.8270 Ave N Shift Values>> N :: 116.28(3.52) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 A 0.41 C 0.12 K 0.02 C Shift Assignments>> C :: 175.3980 CA :: 51.5820 CB :: 22.5870 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5410 HA :: 4.8970 HB1 :: 1.3460 HB2 :: 1.3460 HB3 :: 1.3460 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.0350 Ave N Shift Values>> N :: 123.23(3.54) 1.M40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 C 0.31 Q 0.1 K 0.02 C Shift Assignments>> C :: 176.9450 CA :: 53.1880 CB :: 31.7640 CG :: 32.3000 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.2760 HA :: 5.2440 HB2 :: 1.6660 HB3 :: 2.0250 HG2 :: 2.6730 HG3 :: 2.6730 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 :: 117.3700 Ave N Shift Values>> N :: 120.09(3.57) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 V 0.1 C Shift Assignments>> C :: 174.0470 CA :: 59.4100 CB :: 35.9210 CG1 :: 18.9300 CG2 :: 21.6200 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 :: 9.2520 HA :: 4.6600 HB :: 2.1520 HG11 :: 0.8230 HG12 :: 0.8230 HG13 :: 0.8230 HG21 :: 0.9070 HG22 :: 0.9070 HG23 :: 0.9070 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 :: 119.1160 Ave N Shift Values>> N :: 121.14(4.54) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C 0.01 C Shift Assignments>> C :: 177.7190 CA :: 52.0140 CB :: 19.2790 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4310 HA :: 4.6150 HB1 :: 1.3320 HB2 :: 1.3320 HB3 :: 1.3320 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.3480 Ave N Shift Values>> N :: 123.23(3.54) 1.V43 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.D62 1.D62 C Shift Assignments>> C :: 176.5240 CA :: 62.1950 CB :: 33.0330 CG1 :: 20.9200 CG2 :: 20.9200 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 :: 8.2240 HA :: 4.1770 HB :: 1.9600 HG11 :: 0.8210 HG12 :: 0.8210 HG13 :: 0.8210 HG21 :: 0.8210 HG22 :: 0.8210 HG23 :: 0.8210 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.1660 Ave N Shift Values>> N :: 121.14(4.54) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.6160 CA :: 45.5470 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3820 HA2 :: 3.9900 HA3 :: 3.9900 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.9240 Ave N Shift Values>> N :: 109.67(3.87) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.2770 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.9790 HA3 :: 3.9790 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.2770 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2770 HA2 :: 3.9710 HA3 :: 3.9710 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.5960 Ave N Shift Values>> N :: 109.67(3.87) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.24 K 0.13 F 0.09 N 0.07 Y 0.07 C 0.05 R 0.02 C Shift Assignments>> C :: 176.1620 CA :: 54.5210 CB :: 41.3770 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 :: 8.2800 HA :: 4.6220 HB2 :: 2.6770 HB3 :: 2.5680 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 :: 120.4280 Ave N Shift Values>> N :: 120.65(3.86) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 175.6710 CA :: 61.3160 CB :: 39.2150 CG1 :: 27.2600 CG2 :: 17.6200 CD1 :: 13.2870 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 :: 7.9500 HA :: 4.1630 HB :: 1.8420 HG12 :: 1.4200 HG13 :: 1.1450 HG21 :: 0.8660 HG22 :: 0.8660 HG23 :: 0.8660 HD11 :: 0.8340 HD12 :: 0.8340 HD13 :: 0.8340 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 :: 119.7770 Ave N Shift Values>> N :: 121.46(4.28) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.24 K 0.13 F 0.08 N 0.08 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 176.3560 CA :: 54.2900 CB :: 41.4440 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 :: 8.3320 HA :: 4.6720 HB2 :: 2.7350 HB3 :: 2.5850 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 :: 124.1640 Ave N Shift Values>> N :: 120.65(3.86) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 176.9230 CA :: 61.8530 CB :: 38.7300 CG1 :: 27.3050 CG2 :: 17.7470 CD1 :: 13.4600 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.0390 HA :: 4.1970 HB :: 1.9420 HG12 :: 1.4340 HG13 :: 1.1980 HG21 :: 0.9070 HG22 :: 0.9070 HG23 :: 0.9070 HD11 :: 0.8590 HD12 :: 0.8590 HD13 :: 0.8590 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 :: 120.6790 Ave N Shift Values>> N :: 121.46(4.28) 1.G51 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 :: 174.4040 CA :: 45.6630 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4450 HA2 :: 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 :: 111.5860 Ave N Shift Values>> N :: 109.67(3.87) 1.C52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.21 C 0.08 F 0.07 Y 0.07 L 0.06 C Shift Assignments>> CA :: 53.1360 CB :: 39.1760 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>> HA :: 4.6800 HB2 :: 2.7470 HB3 :: 2.7470 HD21 :: 6.8740 HD22 :: 7.5270 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>> ND2 :: 112.7400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.84 M 0.12 C 0.01 C Shift Assignments>> CA :: 52.8750 CB :: 19.1200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.2500 HB1 :: 1.2320 HB2 :: 1.2320 HB3 :: 1.2320 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.39 C 0.2 C Shift Assignments>> CA :: 57.7480 CB :: 39.4310 CD1 :: 132.0100 CD2 :: 132.0100 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 :: 8.1350 HA :: 4.6340 HB2 :: 3.2060 HB3 :: 3.0400 HD1 :: 7.2620 HD2 :: 7.2620 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 :: 118.6200 Ave N Shift Values>> N :: 120.45(4.18) 1.G57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.87 M 0.08 C 0.02 L 0.01 C Shift Assignments>> C :: 178.1580 CA :: 52.7180 CB :: 19.6100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.3830 HB1 :: 1.3940 HB2 :: 1.3940 HB3 :: 1.3940 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.8840 CA :: 45.5100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3980 HA2 :: 3.9770 HA3 :: 3.9770 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.2020 Ave N Shift Values>> N :: 109.67(3.87) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.28 L 0.24 K 0.14 F 0.09 N 0.06 Y 0.06 C 0.05 R 0.03 C Shift Assignments>> C :: 176.1390 CA :: 54.5680 CB :: 41.4660 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>> HA :: 4.6220 HB2 :: 2.6500 HB3 :: 2.6500 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) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.24 K 0.14 F 0.09 N 0.07 Y 0.07 C 0.05 R 0.02 HN Overlap>> 1.V43 1.V43 C Shift Assignments>> C :: 176.4450 CA :: 54.5770 CB :: 41.3870 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 :: 8.2790 HA :: 4.6080 HB2 :: 2.6530 HB3 :: 2.6530 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 :: 120.1210 Ave N Shift Values>> N :: 120.65(3.86) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.37 M 0.07 K 0.04 I 0.04 Q 0.03 C Shift Assignments>> C :: 177.1240 CA :: 57.2440 CB :: 30.2530 CG :: 36.5600 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 :: 8.3380 HA :: 4.2540 HB2 :: 2.0950 HB3 :: 1.9680 HG2 :: 2.2660 HG3 :: 2.2660 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.2000 Ave N Shift Values>> N :: 120.67(3.48) 1.G64 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 :: 174.0800 CA :: 45.6530 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4140 HA2 :: 3.9480 HA3 :: 3.9480 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.6580 Ave N Shift Values>> N :: 109.67(3.87) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.07 C 0.02 L 0.01 HN Overlap>> 1.W97 1.W97 C Shift Assignments>> C :: 177.5980 CA :: 52.6230 CB :: 19.7090 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0080 HA :: 4.3330 HB1 :: 1.3810 HB2 :: 1.3810 HB3 :: 1.3810 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.4790 Ave N Shift Values>> N :: 123.23(3.54) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.24 K 0.15 F 0.1 Y 0.07 N 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 176.1720 CA :: 54.8470 CB :: 41.4310 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 :: 8.3090 HA :: 4.5820 HB2 :: 2.6530 HB3 :: 2.6530 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 :: 119.6720 Ave N Shift Values>> N :: 120.65(3.86) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.13 F 0.1 N 0.07 Y 0.07 C 0.05 R 0.02 C Shift Assignments>> C :: 176.2600 CA :: 54.6320 CB :: 41.3220 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 :: 8.1700 HA :: 4.5830 HB2 :: 2.6650 HB3 :: 2.6650 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 :: 120.3930 Ave N Shift Values>> N :: 120.65(3.86) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.02 C Shift Assignments>> C :: 177.9950 CA :: 52.9730 CB :: 19.3620 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2160 HA :: 4.3610 HB1 :: 1.4110 HB2 :: 1.4110 HB3 :: 1.4110 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.9340 Ave N Shift Values>> N :: 123.23(3.54) 1.T69 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 :: 174.5950 CA :: 62.7350 CB :: 70.0350 CG2 :: 21.5900 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 :: 7.9750 HA :: 4.2680 HB :: 4.1610 HG21 :: 1.2250 HG22 :: 1.2250 HG23 :: 1.2250 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 :: 112.9440 Ave N Shift Values>> N :: 115.42(4.75) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.24 C 0.23 E 0.09 M 0.08 R 0.01 HN Overlap>> 1.V177 1.V177 C Shift Assignments>> C :: 175.2910 CA :: 55.9000 CB :: 29.6480 CG :: 34.0200 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 :: 8.3600 HA :: 4.3920 HB2 :: 1.9980 HB3 :: 2.1390 HG2 :: 2.3640 HG3 :: 2.3640 HE21 :: 6.7890 HE22 :: 7.4790 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 :: 123.3020 NE2 :: 112.2700 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.28 R 0.27 G 0.01 HN Overlap>> 1.V7 1.V7 C Shift Assignments>> C :: 175.5830 CA :: 55.3720 CB :: 36.2590 CG :: 25.3270 CD :: 29.6170 CE :: 42.2900 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 :: 8.1740 HA :: 5.0560 HB2 :: 1.6460 HB3 :: 1.5590 HG2 :: 1.1280 HG3 :: 1.4370 HD2 :: 1.4900 HD3 :: 1.4900 HE2 :: 2.8940 HE3 :: 2.8940 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.3580 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E72 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 M 0.24 N 0.15 K 0.08 Q 0.07 Y 0.05 F 0.03 H 0.01 C Shift Assignments>> C :: 174.6710 CA :: 54.2500 CB :: 35.7800(S) 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 :: 8.9130 HA :: 4.6500 HB2 :: 2.0090 HB3 :: 2.0090 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 :: 118.1920 Ave N Shift Values>> N :: 120.67(3.48) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.2 F 0.16 Y 0.13 K 0.11 C 0.07 N 0.05 I 0.01 R 0.01 C Shift Assignments>> C :: 177.4170 CA :: 55.8700 CB :: 40.9320 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.8640 HA :: 4.8750 HB2 :: 2.7970 HB3 :: 2.7970 HD21 :: 7.7440 HD22 :: 7.6400 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 :: 121.5740 ND2 :: 112.3240 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.22 N 0.18 M 0.11 Y 0.1 F 0.06 K 0.02 D 0.01 I 0.01 Q 0.01 C Shift Assignments>> C :: 173.3760 CA :: 54.8760 CB :: 36.6720 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 :: 9.5020 HA :: 4.0990 HB2 :: 3.1430 HB3 :: 2.7280 HD21 :: 7.3160 HD22 :: 7.1260 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 128.7910 ND2 :: 109.1600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 175.6510 CA :: 64.5710 CB :: 33.4110 CG1 :: 21.7300 CG2 :: 21.7300 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 :: 9.0520 HA :: 4.1270 HB :: 1.7960 HG11 :: 0.3850 HG12 :: 0.3850 HG13 :: 0.3850 HG21 :: 0.9320 HG22 :: 0.9320 HG23 :: 0.9320 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.9660 Ave N Shift Values>> N :: 121.14(4.54) 1.S76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.4150 CA :: 58.3290 CB :: 65.0780 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7030 HA :: 2.6730(S) HB2 :: 3.5120 HB3 :: 2.8740(S) 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 :: 108.9100 Ave N Shift Values>> N :: 116.28(3.52) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.0170 CA :: 45.8150 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6140 HA2 :: 4.3170 HA3 :: 4.0590 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.4570 Ave N Shift Values>> N :: 109.67(3.87) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 178.1770 CA :: 65.0910 CB :: 31.7530 CG :: 27.0700 CD :: 51.0700 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 :: 4.1240 HB2 :: 2.0140 HB3 :: 2.3290 HG2 :: 2.0930 HG3 :: 2.0520 HD2 :: 3.7330 HD3 :: 3.7330 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.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S9 1.S9 C Shift Assignments>> C :: 173.7240 CA :: 59.2190 CB :: 62.3560 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.5850 HA :: 4.4560 HB2 :: 3.7540 HB3 :: 3.8340 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 :: 114.2460 Ave N Shift Values>> N :: 116.28(3.52) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.9580 CA :: 55.5700 CB :: 61.7560 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6840 HA :: 4.1760 HB2 :: 3.3700 HB3 :: 3.3700 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 :: 119.9180 Ave N Shift Values>> N :: 116.28(3.52) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.46 F 0.32 C 0.21 C Shift Assignments>> C :: 174.8810 CA :: 60.3920 CB :: 39.1770 CD1 :: 132.6030 CD2 :: 132.6030 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.7610 HA :: 4.3930 HB2 :: 2.7530 HB3 :: 2.7530 HD1 :: 7.3080 HD2 :: 7.3080 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.9350 Ave N Shift Values>> N :: 120.45(4.18) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.37 C 0.01 C Shift Assignments>> C :: 175.6380 CA :: 53.0140 CB :: 17.2080 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5360 HA :: 3.6330 HB1 :: 1.2890 HB2 :: 1.2890 HB3 :: 1.2890 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.1950 Ave N Shift Values>> N :: 123.23(3.54) 1.Y83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.2 C 0.09 F 0.09 Y 0.08 L 0.06 HN Overlap>> 1.W132 1.W132 C Shift Assignments>> C :: 178.0380 CA :: 53.6280 CB :: 39.0270 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 :: 7.5470 HA :: 5.3750 HB2 :: 2.5750 HB3 :: 3.4370 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 :: 118.2020 Ave N Shift Values>> N :: 120.52(4.2) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 173.2090 CA :: 62.8660 CB :: 72.3970 CG2 :: 21.0900 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 :: 8.7660 HA :: 4.7020 HB :: 3.7570 HG21 :: 1.3220 HG22 :: 1.3220 HG23 :: 1.3220 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 :: 116.9780 Ave N Shift Values>> N :: 115.42(4.75) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.15 C 0.02 C Shift Assignments>> C :: 176.6190 CA :: 53.4680 CB :: 19.2580 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0330 HA :: 4.0200 HB1 :: 1.2100 HB2 :: 1.2100 HB3 :: 1.2100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.5200 Ave N Shift Values>> N :: 123.23(3.54) 1.M86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.34 Q 0.09 E 0.05 C Shift Assignments>> C :: 171.6290 CA :: 51.6300 CB :: 34.8470 CG :: 31.9000 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.3790 HA :: 4.7470 HB2 :: 1.7420 HB3 :: 1.4600 HG2 :: 2.0900 HG3 :: 2.0100 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 :: 121.5950 Ave N Shift Values>> N :: 120.09(3.57) 1.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 177.0080 CA :: 62.6100 CB :: 32.3090 CG :: 26.5100 CD :: 50.0400 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 :: 4.6340 HB2 :: 2.2240 HB3 :: 1.8080 HG2 :: 1.9620 HG3 :: 1.9620 HD2 :: 3.6340 HD3 :: 3.4360 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.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 F 0.15 L 0.13 K 0.13 Y 0.1 C 0.09 G 0.03 D 0.02 I 0.02 C Shift Assignments>> C :: 176.9730 CA :: 58.7730 CB :: 42.9710 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.7120 HA :: 4.5230 HB2 :: 2.7030 HB3 :: 2.7030 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 :: 118.5510 Ave N Shift Values>> N :: 120.45(4.18) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.3150 CA :: 60.0590 CB :: 64.2790 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.4560 HB2 :: 4.0670 HB3 :: 3.9980 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) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 C Shift Assignments>> C :: 173.1200 CA :: 57.8370 CB :: 66.2440 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.4490 HA :: 4.6910 HB2 :: 4.0590 HB3 :: 4.1830 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 :: 111.9110 Ave N Shift Values>> N :: 116.28(3.52) 1.K91 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 176.6470 CA :: 47.3050 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.6020 HA3 :: 3.9700 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.31 I 0.14 M 0.03 K 0.01 C Shift Assignments>> C :: 179.3490 CA :: 59.3980 CB :: 30.4910 CG :: 37.2600 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 :: 7.7770 HA :: 4.1880 HB2 :: 2.4620 HB3 :: 2.2510 HG2 :: 2.4800 HG3 :: 2.4800 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.9730 Ave N Shift Values>> N :: 120.67(3.48) 1.F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 F 0.25 C 0.24 C Shift Assignments>> C :: 176.0360 CA :: 60.2520 CB :: 38.9840 CD1 :: 132.9000 CD2 :: 132.9000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.3970 HA :: 3.7030 HB2 :: 2.3300 HB3 :: 2.7700 HD1 :: 6.9670 HD2 :: 6.9670 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.1510 Ave N Shift Values>> N :: 120.45(4.18) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.33 R 0.15 C Shift Assignments>> C :: 178.6980 CA :: 60.3330 CB :: 32.2450 CG :: 26.0500 CD :: 29.5900 CE :: 42.0700 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 :: 8.5620 HA :: 3.4260 HB2 :: 1.7800 HB3 :: 1.7800 HG2 :: 1.5130 HG3 :: 1.3010 HD2 :: 1.6140 HD3 :: 1.6140 HE2 :: 3.0830 HE3 :: 3.0830 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 :: 118.9350 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.8270 CA :: 61.8730 CB :: 63.4250 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6380 HA :: 4.1140 HB2 :: 3.9670 HB3 :: 3.9670 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 :: 112.9710 Ave N Shift Values>> N :: 116.28(3.52) 1.W97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 W 0.4 HN Overlap>> 1.A65 1.A65 C Shift Assignments>> C :: 178.9490 CA :: 62.9150 CB :: 29.6700 CD1 :: 127.1860 CE3 :: 119.7100 CZ2 :: 116.1600 CZ3 :: 121.1000 CH2 :: 125.1360 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 :: 8.0300 HA :: 4.1450 HB2 :: 3.5940 HB3 :: 3.5940 HD1 :: 7.5610 HE1 :: 10.4760 HE3 :: 7.3530 HZ2 :: 7.7470 HZ3 :: 7.1360 HH2 :: 6.8540 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 :: 123.3760 NE1 :: 129.4970 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 HN Overlap>> 1.I155 1.I155 C Shift Assignments>> C :: 176.4330 CA :: 65.3060 CB :: 31.6120 CG1 :: 21.3400 CG2 :: 23.0800 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 :: 8.8580 HA :: 3.6310 HB :: 1.8380 HG11 :: 0.8460 HG12 :: 0.8460 HG13 :: 0.8460 HG21 :: 1.1810 HG22 :: 1.1810 HG23 :: 1.1810 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 :: 119.6290 Ave N Shift Values>> N :: 121.14(4.54) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.44 R 0.07 C Shift Assignments>> C :: 179.3340 CA :: 59.7550 CB :: 32.1670 CG :: 25.0000 CD :: 29.5300 CE :: 42.0700 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 :: 7.1880 HA :: 3.9460 HB2 :: 1.8550 HB3 :: 1.8550 HG2 :: 1.3450 HG3 :: 1.5860 HD2 :: 1.6750 HD3 :: 1.6750 HE2 :: 2.9940 HE3 :: 2.9940 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.2490 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 D 0.12 C 0.12 L 0.11 I 0.05 N 0.03 K 0.02 C Shift Assignments>> C :: 177.1950 CA :: 57.1190 CB :: 40.1450 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 :: 7.1240 HA :: 4.3620 HB2 :: 2.6430 HB3 :: 2.4660 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 :: 120.4760 Ave N Shift Values>> N :: 120.65(3.86) 1.Y101 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 :: 177.3250 CA :: 60.9270 CB :: 38.0170 CD1 :: 132.9400 CD2 :: 132.9400 CE1 :: 118.5600 CE2 :: 118.5600 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 :: 8.3060 HA :: 4.2400 HB2 :: 2.3400 HB3 :: 1.6540 HD1 :: 6.9710 HD2 :: 6.9710 HE1 :: 6.5580 HE2 :: 6.5580 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 :: 122.9220 Ave N Shift Values>> N :: 120.52(4.2) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.8950 CA :: 67.7030 CB :: 31.7980 CG1 :: 21.2500 CG2 :: 22.8000 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 :: 8.1050 HA :: 3.4340 HB :: 2.0670 HG11 :: 0.8350 HG12 :: 0.8350 HG13 :: 0.8350 HG21 :: 1.1230 HG22 :: 1.1230 HG23 :: 1.1230 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.4780 Ave N Shift Values>> N :: 121.14(4.54) 1.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.4 G 0.09 K 0.02 C Shift Assignments>> C :: 178.5180 CA :: 59.9150 CB :: 29.8380 CG :: 27.4700 CD :: 43.4860 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 :: 6.9450 HA :: 3.9400 HB2 :: 1.9200 HB3 :: 2.0090 HG2 :: 1.8080 HG3 :: 1.5240 HD2 :: 3.2310 HD3 :: 3.2310 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 :: 118.1520 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.N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.19 Y 0.16 N 0.14 F 0.11 M 0.06 I 0.03 D 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 179.3660 CA :: 55.7840 CB :: 37.2820 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.6260 HA :: 4.4620 HB2 :: 3.0390 HB3 :: 2.5950 HD21 :: 8.2460 HD22 :: 6.8760 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 :: 120.7520 ND2 :: 113.0600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.2380 CA :: 67.5800 CB :: 31.1780 CG1 :: 22.0300 CG2 :: 23.6700 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 :: 9.1240 HA :: 3.2120 HB :: 1.7270 HG11 :: 0.0090 HG12 :: 0.0090 HG13 :: 0.0090 HG21 :: 0.2940 HG22 :: 0.2940 HG23 :: 0.2940 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 :: 124.4270 Ave N Shift Values>> N :: 121.14(4.54) 1.R106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.3 G 0.16 K 0.01 HN Overlap>> 1.E125 1.E125 1.D11 1.D11 C Shift Assignments>> C :: 178.1230 CA :: 61.2240 CB :: 29.9950 CG :: 27.7000 CD :: 43.6300 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 :: 8.1360 HA :: 3.7040 HB2 :: 2.1820 HB3 :: 2.1820 HG2 :: 1.6590 HG3 :: 1.6590 HD2 :: 3.3930 HD3 :: 3.3930 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.7870 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.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.25 E 0.08 R 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 178.6150 CA :: 58.7840 CB :: 28.7590 CG :: 34.0000 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 :: 7.9010 HA :: 4.0410 HB2 :: 2.1850 HB3 :: 2.2270 HG2 :: 2.5400 HG3 :: 2.5050 HE21 :: 6.8980 HE22 :: 7.4390 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 :: 115.8120 NE2 :: 111.6580 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.46 C 0.02 I 0.02 C Shift Assignments>> C :: 181.4500 CA :: 54.7870 CB :: 18.2830 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1370 HA :: 4.2400 HB1 :: 1.3840 HB2 :: 1.3840 HB3 :: 1.3840 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.4280 Ave N Shift Values>> N :: 123.23(3.54) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 L 0.24 A 0.03 C Shift Assignments>> C :: 179.4570 CA :: 57.8780 CB :: 41.2600 CG :: 25.6500 CD1 :: 21.3000 CD2 :: 25.3000 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 :: 8.8730 HA :: 3.9400 HB2 :: 1.8880 HB3 :: 1.1200 HG :: 1.9410 HD11 :: 0.7770 HD12 :: 0.7770 HD13 :: 0.7770 HD21 :: 0.4810 HD22 :: 0.4810 HD23 :: 0.4810 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 :: 119.9150 Ave N Shift Values>> N :: 121.86(3.9) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.42 R 0.09 G 0.01 C Shift Assignments>> C :: 180.6430 CA :: 59.7300 CB :: 32.4460 CG :: 25.1000 CD :: 29.4800 CE :: 42.3300 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 :: 8.1530 HA :: 4.0110 HB2 :: 1.9220 HB3 :: 1.9220 HG2 :: 1.5990 HG3 :: 1.5990 HD2 :: 1.6870 HD3 :: 1.6870 HE2 :: 3.0890 HE3 :: 3.0890 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 :: 120.5680 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.7090 CA :: 46.4660 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4050 HA2 :: 3.9810 HA3 :: 3.9810 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.4920 Ave N Shift Values>> N :: 109.67(3.87) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.9830 CA :: 58.4670 CB :: 64.3860 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6490 HA :: 4.6840 HB2 :: 4.0030 HB3 :: 4.0030 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 :: 113.2920 Ave N Shift Values>> N :: 116.28(3.52) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 174.6770 CA :: 46.3540 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.8660 HA3 :: 4.0970 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 HN Overlap>> 1.K136 1.K136 C Shift Assignments>> C :: 174.6530 CA :: 63.5270 CB :: 31.7580 CG1 :: 21.9800 CG2 :: 22.6000 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 :: 7.4190 HA :: 3.8300 HB :: 1.8170 HG11 :: 1.1670 HG12 :: 1.1670 HG13 :: 1.1670 HG21 :: 1.0350 HG22 :: 1.0350 HG23 :: 1.0350 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.6920 Ave N Shift Values>> N :: 121.14(4.54) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.02 C Shift Assignments>> C :: 179.5710 CA :: 52.8630 CB :: 19.2880 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5100 HA :: 4.3110 HB1 :: 1.6030 HB2 :: 1.6030 HB3 :: 1.6030 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.9460 Ave N Shift Values>> N :: 123.23(3.54) 1.V116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 178.3870 CA :: 66.5600 CB :: 31.7700 CG1 :: 21.0400 CG2 :: 21.7200 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 :: 8.5670 HA :: 3.7170 HB :: 2.1690 HG11 :: 1.0590 HG12 :: 1.0590 HG13 :: 1.0590 HG21 :: 1.1350 HG22 :: 1.1350 HG23 :: 1.1350 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.8490 Ave N Shift Values>> N :: 121.14(4.54) 1.E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.32 E 0.23 K 0.04 Q 0.01 C Shift Assignments>> C :: 178.8150 CA :: 60.4150 CB :: 28.8900 CG :: 36.4300 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.3070 HA :: 4.0260 HB2 :: 2.0470 HB3 :: 2.0470 HG2 :: 2.4630 HG3 :: 2.3350 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 :: 119.2880 Ave N Shift Values>> N :: 120.67(3.48) 1.D118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 L 0.13 D 0.11 C 0.1 K 0.09 I 0.04 N 0.01 C Shift Assignments>> C :: 179.2670 CA :: 57.3360 CB :: 40.6660 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 :: 7.4570 HA :: 4.6220 HB2 :: 2.6050 HB3 :: 2.8840 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 :: 120.3010 Ave N Shift Values>> N :: 120.65(3.86) 1.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 177.6160 CA :: 65.9960 CB :: 37.8870 CG1 :: 29.4290 CG2 :: 18.0000 CD1 :: 13.5200 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 :: 7.7900 HA :: 3.7100 HB :: 2.0430 HG12 :: 1.7690 HG13 :: 0.8160 HG21 :: 1.0380 HG22 :: 1.0380 HG23 :: 1.0380 HD11 :: 0.7860 HD12 :: 0.7860 HD13 :: 0.7860 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.8260 Ave N Shift Values>> N :: 121.46(4.28) 1.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.41 R 0.1 C Shift Assignments>> C :: 178.8500 CA :: 60.0620 CB :: 32.3840 CG :: 25.2700 CD :: 29.6800 CE :: 42.1600 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 :: 8.4640 HA :: 3.9920 HB2 :: 1.8850 HB3 :: 1.8850 HG2 :: 1.5980 HG3 :: 1.5980 HD2 :: 1.6800 HD3 :: 1.6800 HE2 :: 2.9830 HE3 :: 2.9830 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 :: 120.1860 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.44 R 0.07 G 0.01 C Shift Assignments>> C :: 178.0140 CA :: 59.5270 CB :: 32.5600 CG :: 24.6700 CD :: 29.3700 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 :: 7.6440 HA :: 4.1440 HB2 :: 1.9960 HB3 :: 1.9960 HG2 :: 1.4950 HG3 :: 1.5930 HD2 :: 1.8320 HD3 :: 1.8320 HE2 :: 3.0880 HE3 :: 3.0880 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 :: 118.9990 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.33 C 0.23 C Shift Assignments>> C :: 176.9510 CA :: 60.3240 CB :: 38.6590 CD1 :: 132.4000 CD2 :: 132.4000 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 :: 7.5170 HA :: 4.8520 HB2 :: 3.3950 HB3 :: 3.2760 HD1 :: 7.3660 HD2 :: 7.3660 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 :: 119.4370 Ave N Shift Values>> N :: 120.45(4.18) 1.M123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.14 C 0.13 W 0.12 E 0.12 M 0.1 Q 0.09 K 0.09 V 0.01 C Shift Assignments>> C :: 179.0910 CA :: 56.6860 CB :: 30.9920 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.0840 HA :: 4.0100 HB2 :: 2.0710 HB3 :: 2.0710 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 :: 114.9700 Ave N Shift Values>> N :: 120.09(3.57) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.38 I 0.11 M 0.04 K 0.03 Q 0.01 C Shift Assignments>> C :: 178.8670 CA :: 58.5570 CB :: 30.1480 CG :: 36.9000 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 :: 8.1430 HA :: 4.0950 HB2 :: 2.2390 HB3 :: 2.1350 HG2 :: 2.4770 HG3 :: 2.4770 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 :: 118.9830 Ave N Shift Values>> N :: 120.67(3.48) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.35 I 0.12 M 0.03 K 0.02 HN Overlap>> 1.R106 1.D11 1.R106 1.D11 C Shift Assignments>> C :: 177.6880 CA :: 58.4180 CB :: 30.1960 CG :: 37.3000 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 :: 8.1030 HA :: 4.2050 HB2 :: 2.1340 HB3 :: 2.4690 HG2 :: 2.4840 HG3 :: 2.8440 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 :: 119.7650 Ave N Shift Values>> N :: 120.67(3.48) 1.A126 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.79 A 0.09 I 0.08 C 0.01 C Shift Assignments>> C :: 174.0610 CA :: 55.2970 CB :: 14.9710 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8690 HA :: 2.7100(S) HB1 :: 0.7240 HB2 :: 0.7240 HB3 :: 0.7240 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.6290 Ave N Shift Values>> N :: 123.23(3.54) 1.P127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.23 C Shift Assignments>> C :: 179.5330 CA :: 66.1620 CB :: 30.9240 CG :: 28.6600 CD :: 49.9200 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 :: 3.9950 HB2 :: 2.2280 HB3 :: 1.7440 HG2 :: 2.0200 HG3 :: 1.8240 HD2 :: 3.5000 HD3 :: 3.3900 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.T128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 176.6620 CA :: 66.3460 CB :: 68.4330 CG2 :: 23.1050 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 :: 7.3390 HA :: 4.0740 HB :: 4.3940 HG21 :: 1.3370 HG22 :: 1.3370 HG23 :: 1.3370 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 :: 112.7100 Ave N Shift Values>> N :: 115.42(4.75) 1.F129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 Y 0.42 F 0.04 C Shift Assignments>> C :: 177.8420 CA :: 60.6930 CB :: 36.6590 CD1 :: 133.6000 CD2 :: 133.6000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.9110 HA :: 4.6720 HB2 :: 3.5750 HB3 :: 3.3260 HD1 :: 7.2710 HD2 :: 7.2710 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.9120 Ave N Shift Values>> N :: 120.45(4.18) 1.V130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 176.9380 CA :: 68.1460 CB :: 31.2500 CG1 :: 21.6000 CG2 :: 24.2600 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 :: 8.6560 HA :: 3.6890 HB :: 1.9110 HG11 :: 0.8300 HG12 :: 0.8300 HG13 :: 0.8300 HG21 :: 0.8000 HG22 :: 0.8000 HG23 :: 0.8000 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 :: 125.4120 Ave N Shift Values>> N :: 121.14(4.54) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.44 R 0.06 C Shift Assignments>> C :: 177.2500 CA :: 59.8810 CB :: 32.3090 CG :: 24.9680 CD :: 29.3700 CE :: 42.1200 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 :: 7.1150 HA :: 3.9350 HB2 :: 2.0050 HB3 :: 1.8690 HG2 :: 1.6000 HG3 :: 1.6000 HD2 :: 1.6780 HD3 :: 1.6780 HE2 :: 2.9810 HE3 :: 2.9810 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 :: 118.2620 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.57 C 0.42 HN Overlap>> 1.Y83 1.Y83 C Shift Assignments>> C :: 178.0360 CA :: 63.3140 CB :: 29.4270 CD1 :: 127.3600 CZ2 :: 114.2400 CH2 :: 123.2920 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 :: 7.5470 HA :: 4.0770 HB2 :: 3.5460 HB3 :: 3.2290 HD1 :: 7.1900 HE1 :: 10.4240 HZ2 :: 6.9570 HH2 :: 6.4140 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 :: 118.2020 NE1 :: 129.6780 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 L 0.34 R 0.14 G 0.1 C Shift Assignments>> C :: 178.2460 CA :: 58.2570 CB :: 43.5240 CG :: 26.9400 CD1 :: 26.1200 CD2 :: 22.2500 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 :: 8.1850 HA :: 3.7100 HB2 :: 2.2940 HB3 :: 1.3340 HG :: 2.3300 HD11 :: 0.8480 HD12 :: 0.8480 HD13 :: 0.8480 HD21 :: 0.4010 HD22 :: 0.4010 HD23 :: 0.4010 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 :: 116.9820 Ave N Shift Values>> N :: 121.86(3.9) 1.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 179.5530 CA :: 67.6980 CB :: 31.7350 CG1 :: 22.6000 CG2 :: 23.8800 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 :: 8.7930 HA :: 3.6610 HB :: 2.2030 HG11 :: 0.9530 HG12 :: 0.9530 HG13 :: 0.9530 HG21 :: 1.0570 HG22 :: 1.0570 HG23 :: 1.0570 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.7270 Ave N Shift Values>> N :: 121.14(4.54) 1.D135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.26 C 0.12 D 0.12 L 0.09 I 0.05 N 0.03 K 0.01 C Shift Assignments>> C :: 178.3580 CA :: 57.0720 CB :: 39.8580 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 :: 8.6640 HA :: 4.3730 HB2 :: 2.7880 HB3 :: 2.4610 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 :: 120.1060 Ave N Shift Values>> N :: 120.65(3.86) 1.K136 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.54 C 0.32 R 0.12 HN Overlap>> 1.V114 1.V114 C Shift Assignments>> C :: 176.1540 CA :: 54.7450 CB :: 32.6940 CG :: 24.9700 CD :: 28.4400 CE :: 41.6900 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 :: 7.4180 HA :: 4.0700 HB2 :: 1.3130 HB3 :: 0.9340 HG2 :: 0.7500 HG3 :: 0.5500 HD2 :: 0.5740(S) HD3 :: 0.5740(S) HE2 :: 2.2180(S) HE3 :: 2.0000(S) 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 :: 120.6920 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.24 F 0.2 HN Overlap>> 1.L18 1.L18 C Shift Assignments>> C :: 176.1600 CA :: 63.8060 CB :: 40.6030 CD1 :: 133.0200 CD2 :: 133.0200 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 :: 7.4140 HA :: 3.6960 HB2 :: 2.8930 HB3 :: 3.4700 HD1 :: 6.9710 HD2 :: 6.9710 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 :: 119.6230 Ave N Shift Values>> N :: 120.52(4.2) 1.D138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.19 K 0.16 L 0.14 D 0.1 C 0.09 I 0.04 R 0.01 N 0.01 C Shift Assignments>> C :: 176.4690 CA :: 57.5240 CB :: 41.0700 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 :: 8.4450 HA :: 4.1390 HB2 :: 2.7590 HB3 :: 2.4680 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 :: 116.1710 Ave N Shift Values>> N :: 120.65(3.86) 1.D139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.22 D 0.18 K 0.09 F 0.05 C 0.04 Y 0.03 G 0.02 N 0.01 HN Overlap>> 1.M148 1.V13 1.M148 1.V13 C Shift Assignments>> C :: 175.7310 CA :: 54.2950 CB :: 42.9070 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 :: 8.4070 HA :: 4.7900 HB2 :: 2.9820 HB3 :: 2.4540 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.4700 Ave N Shift Values>> N :: 120.65(3.86) 1.L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.26 C 0.2 A 0.07 C Shift Assignments>> C :: 178.1140 CA :: 54.3320 CB :: 44.7340 CG :: 25.3500 CD1 :: 26.3100 CD2 :: 22.6850 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 :: 7.1420 HA :: 5.2140 HB2 :: 0.5550 HB3 :: 1.2980 HG :: 1.5470 HD11 :: 0.5690 HD12 :: 0.5690 HD13 :: 0.5690 HD21 :: 0.5640 HD22 :: 0.5640 HD23 :: 0.5640 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 :: 119.5040 Ave N Shift Values>> N :: 121.86(3.9) 1.E141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 M 0.1 E 0.07 C Shift Assignments>> C :: 173.7150 CA :: 55.6780 CB :: 33.4560 CG :: 37.9600 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 :: 8.3910 HA :: 4.1580 HB2 :: 1.8800 HB3 :: 1.8800 HG2 :: 2.0800 HG3 :: 2.0800 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 :: 118.9830 Ave N Shift Values>> N :: 120.67(3.48) 1.F142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.41 C 0.15 G 0.01 C Shift Assignments>> C :: 174.9620 CA :: 57.4140 CB :: 42.1980 CD1 :: 132.3600 CD2 :: 132.3600 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.9780 HA :: 4.8860 HB2 :: 3.2480 HB3 :: 2.5900 HD1 :: 7.2280 HD2 :: 7.2280 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 :: 118.1770 Ave N Shift Values>> N :: 120.45(4.18) 1.F143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 Y 0.29 C 0.16 G 0.02 C Shift Assignments>> C :: 174.5410 CA :: 57.5350 CB :: 42.4650 CD1 :: 131.1000 CD2 :: 131.1000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.1750 HA :: 4.8540 HB2 :: 2.5670 HB3 :: 2.6620 HD1 :: 6.9650 HD2 :: 6.9650 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 :: 119.5050 Ave N Shift Values>> N :: 120.45(4.18) 1.M144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 C 0.21 E 0.18 Y 0.1 M 0.09 F 0.07 D 0.02 K 0.02 I 0.01 C Shift Assignments>> C :: 176.7580 CA :: 54.7330 CB :: 36.9160 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.1190 HA :: 4.8340 HB2 :: 2.6710 HB3 :: 2.6710 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 :: 117.6100 Ave N Shift Values>> N :: 120.09(3.57) 1.S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.9440 CA :: 58.5490 CB :: 64.4180 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9550 HA :: 4.4960 HB2 :: 3.6280 HB3 :: 3.6280 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 :: 113.3800 Ave N Shift Values>> N :: 116.28(3.52) 1.K146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.41 R 0.04 G 0.01 HN Overlap>> 1.I155 1.I155 C Shift Assignments>> C :: 177.9930 CA :: 60.8680 CB :: 33.2810 CG :: 24.7600 CD :: 29.6000 CE :: 42.1900 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 :: 8.6660 HA :: 4.4000 HB2 :: 2.1250 HB3 :: 2.0180 HG2 :: 1.5850 HG3 :: 1.5850 HD2 :: 1.8180 HD3 :: 1.8180 HE2 :: 3.0900 HE3 :: 3.0900 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.6660 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2500 CA :: 61.4420 CB :: 62.6000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.4880 HA :: 4.1370 HB2 :: 4.3370 HB3 :: 4.3370 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 :: 113.8440 Ave N Shift Values>> N :: 116.28(3.52) 1.M148 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 R 0.12 C 0.12 K 0.1 M 0.04 I 0.01 HN Overlap>> 1.V13 1.D139 1.V13 1.D139 C Shift Assignments>> C :: 174.3090 CA :: 57.2400 CB :: 29.7940 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.4740 HA :: 3.9510 HB2 :: 2.3410 HB3 :: 2.1100 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 :: 117.5060 Ave N Shift Values>> N :: 120.09(3.57) 1.N149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.16 C 0.1 L 0.03 F 0.02 Y 0.02 HN Overlap>> 1.F34 1.F34 C Shift Assignments>> C :: 175.6750 CA :: 49.8260 CB :: 39.2540 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.9080 HA :: 5.0520 HB2 :: 3.1460 HB3 :: 2.5920 HD21 :: 7.5190 HD22 :: 7.1350 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 :: 119.0140 ND2 :: 109.5900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 175.7230 CA :: 64.4440 CB :: 32.4650 CG :: 26.7000 CD :: 50.9800 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 :: 4.3920 HB2 :: 2.3250 HB3 :: 2.1660 HG2 :: 2.0000 HG3 :: 2.0700 HD2 :: 3.7400 HD3 :: 3.6900 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.D151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.24 K 0.17 F 0.08 R 0.07 Y 0.05 C 0.04 N 0.04 C Shift Assignments>> C :: 175.7900 CA :: 54.6850 CB :: 41.8920 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 :: 8.1890 HA :: 5.0350 HB2 :: 2.8900 HB3 :: 2.5380 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.1360 Ave N Shift Values>> N :: 120.65(3.86) 1.A152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 C 0.03 L 0.02 M 0.01 C Shift Assignments>> C :: 174.9730 CA :: 50.5640 CB :: 20.6280 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.1640 HA :: 4.6970 HB1 :: 1.6970 HB2 :: 1.6970 HB3 :: 1.6970 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.1460 Ave N Shift Values>> N :: 123.23(3.54) 1.G153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 175.6030 CA :: 47.2480 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4550 HA2 :: 4.1270 HA3 :: 3.7970 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.5490 Ave N Shift Values>> N :: 109.67(3.87) 1.L154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 G 0.29 C 0.16 A 0.04 R 0.03 C Shift Assignments>> C :: 173.5890 CA :: 53.1810 CB :: 44.1210 CG :: 26.7900 CD1 :: 23.4400 CD2 :: 25.7500 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 :: 7.4900 HA :: 4.6630 HB2 :: 1.0320 HB3 :: 0.6920 HG :: 1.3870 HD11 :: 0.5200 HD12 :: 0.5200 HD13 :: 0.5200 HD21 :: -0.1630 HD22 :: -0.1630 HD23 :: -0.1630 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 :: 126.6040 Ave N Shift Values>> N :: 121.86(3.9) 1.I155 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 I 0.01 HN Overlap>> 1.V98 1.V98 1.K146 1.K146 C Shift Assignments>> C :: 175.0240 CA :: 61.6950 CB :: 40.0820 CG1 :: 30.2600 CG2 :: 22.2100(S) CD1 :: 15.5100 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.7580 HA :: 3.7350 HB :: 0.8850 HG12 :: 0.8070 HG13 :: 0.8070 HG21 :: 0.4190 HG22 :: 0.4190 HG23 :: 0.4190 HD11 :: 0.1030 HD12 :: 0.1030 HD13 :: 0.1030 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 :: 119.6430 Ave N Shift Values>> N :: 121.46(4.28) 1.F156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.39 C 0.14 C Shift Assignments>> C :: 175.6130 CA :: 55.8130 CB :: 40.8420 CD1 :: 131.9900 CD2 :: 131.9900 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.9650 HA :: 5.2580 HB2 :: 3.0790 HB3 :: 2.8670 HD1 :: 7.1970 HD2 :: 7.1970 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 :: 126.1030 Ave N Shift Values>> N :: 120.45(4.18) 1.S157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.71 T 0.28 C Shift Assignments>> C :: 172.5690 CA :: 56.4690 CB :: 66.9990 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7570 HA :: 5.7910 HB2 :: 3.5030 HB3 :: 3.3410 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.3970 Ave N Shift Values>> N :: 116.28(3.52) 1.Y158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.33 C 0.16 C Shift Assignments>> C :: 171.8690 CA :: 55.8860 CB :: 41.3120 CD1 :: 132.7600 CD2 :: 132.7600 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 :: 8.6620 HA :: 5.0570 HB2 :: 2.9490 HB3 :: 2.9490 HD1 :: 6.8190 HD2 :: 6.8190 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.5490 Ave N Shift Values>> N :: 120.52(4.2) 1.Y159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.35 C 0.2 C Shift Assignments>> C :: 177.0550 CA :: 57.4130 CB :: 39.6770 CD1 :: 132.6000 CD2 :: 132.6000 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 :: 8.9720 HA :: 4.6560 HB2 :: 2.7660 HB3 :: 3.0710 HD1 :: 6.8180 HD2 :: 6.8180 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 :: 118.0920 Ave N Shift Values>> N :: 120.52(4.2) 1.K160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.41 R 0.12 C Shift Assignments>> C :: 176.6890 CA :: 56.9410 CB :: 33.7330 CG :: 24.9800 CD :: 29.3900 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 :: 8.7370 HA :: 4.3030 HB2 :: 1.9360 HB3 :: 1.9360 HG2 :: 1.4400 HG3 :: 1.4400 HD2 :: 1.6960 HD3 :: 1.6960 HE2 :: 3.0100 HE3 :: 3.0100 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 :: 126.1980 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.13 K 0.08 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.1810 CA :: 58.4990 CB :: 29.1960 CG :: 36.3700 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 :: 8.6670 HA :: 4.0770 HB2 :: 2.0080 HB3 :: 2.0080 HG2 :: 2.4780 HG3 :: 2.4780 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.5270 Ave N Shift Values>> N :: 120.67(3.48) 1.G162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.5700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.1350 HA3 :: 3.7030 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.A163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 L 0.18 C 0.07 C Shift Assignments>> CA :: 52.3140 CB :: 21.4500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9550 HA :: 4.4020 HB1 :: 1.5440 HB2 :: 1.5440 HB3 :: 1.5440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.9930 Ave N Shift Values>> N :: 123.23(3.54) 1.H164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.16 K 0.15 C 0.15 R 0.13 H 0.12 W 0.1 E 0.08 Q 0.05 V 0.01 C Shift Assignments>> CA :: 56.5600 CB :: 31.9200 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 :: 4.7780 HB2 :: 3.2700 HB3 :: 3.1750 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.C165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.14 E 0.13 R 0.13 W 0.13 C 0.11 K 0.1 M 0.05 C Shift Assignments>> CA :: 56.2860 CB :: 29.8400 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.8510 HA :: 4.8840 HB2 :: 2.5760 HB3 :: 2.8580 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 :: 117.6840 Ave N Shift Values>> N :: 120.17(4.64) 1.P166 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> C :: 175.5660 CA :: 62.1860 CB :: 32.3530 CG :: 26.3500 CD :: 50.7300 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 :: 3.2000(S) HB2 :: 1.0040 HB3 :: 0.7040(S) HG2 :: 1.7260 HG3 :: 1.4280 HD2 :: 3.4340 HD3 :: 3.6330 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.T167 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 :: 172.5470 CA :: 62.6630 CB :: 70.1870 CG2 :: 21.7000 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 :: 8.8910 HA :: 4.2750 HB :: 4.1730 HG21 :: 1.2240 HG22 :: 1.2240 HG23 :: 1.2240 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 :: 123.0680 Ave N Shift Values>> N :: 115.42(4.75) 1.F168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.17 L 0.16 Y 0.12 R 0.09 C 0.07 D 0.07 I 0.02 C Shift Assignments>> C :: 173.8370 CA :: 57.6450 CB :: 41.9110 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 :: 8.8680 HA :: 5.2650 HB2 :: 2.8760 HB3 :: 2.7680 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.9760 Ave N Shift Values>> N :: 120.45(4.18) 1.V169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.37 C Shift Assignments>> C :: 172.5490 CA :: 61.5100 CB :: 35.2400 CG1 :: 22.9700 CG2 :: 22.9700 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 :: 9.2920 HA :: 4.7200 HB :: 2.0690 HG11 :: 1.0700 HG12 :: 1.0700 HG13 :: 1.0700 HG21 :: 1.3080 HG22 :: 1.3080 HG23 :: 1.3080 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 :: 122.4700 Ave N Shift Values>> N :: 121.14(4.54) 1.Y170 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.25 L 0.2 F 0.15 Y 0.12 K 0.1 C 0.07 N 0.07 I 0.01 C Shift Assignments>> C :: 175.9810 CA :: 55.4720 CB :: 40.8740 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 :: 8.5830 HA :: 5.0000 HB2 :: 1.9950 HB3 :: 0.6670(S) 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 :: 122.4020 Ave N Shift Values>> N :: 120.52(4.2) 1.V171 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 :: 176.2370 CA :: 62.5510 CB :: 30.9350 CG1 :: 22.1100 CG2 :: 21.2600 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 :: 9.0070 HA :: 4.0280 HB :: 2.6440 HG11 :: 0.9400 HG12 :: 0.9400 HG13 :: 0.9400 HG21 :: 1.1580 HG22 :: 1.1580 HG23 :: 1.1580 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 :: 122.6300 Ave N Shift Values>> N :: 121.14(4.54) 1.K172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 K 0.34 R 0.03 G 0.01 C Shift Assignments>> C :: 178.8740 CA :: 61.9640 CB :: 33.7660 CG :: 24.8900 CD :: 29.7200 CE :: 42.0800 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 :: 8.1450 HA :: 3.8790 HB2 :: 1.9510 HB3 :: 1.6220 HG2 :: 1.5030 HG3 :: 1.5030 HD2 :: 1.7740 HD3 :: 1.7740 HE2 :: 3.0100 HE3 :: 3.0100 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 130.6000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.4080 CA :: 61.7420 CB :: 63.6460 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.9960 HA :: 4.4140 HB2 :: 3.7100 HB3 :: 3.7100 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 :: 114.0150 Ave N Shift Values>> N :: 116.28(3.52) 1.G174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.8550 CA :: 44.7210 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3940 HA2 :: 3.7520 HA3 :: 3.3880 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.1310 Ave N Shift Values>> N :: 109.67(3.87) 1.Y175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 F 0.19 C 0.19 G 0.15 C Shift Assignments>> C :: 175.1180 CA :: 58.0690 CB :: 43.4120 CD1 :: 133.1000 CD2 :: 133.1000 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 :: 7.3080 HA :: 5.1450 HB2 :: 2.9140 HB3 :: 2.9140 HD1 :: 6.9790 HD2 :: 6.9790 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 :: 116.7960 Ave N Shift Values>> N :: 120.52(4.2) 1.K176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.34 R 0.13 G 0.02 C Shift Assignments>> C :: 175.1600 CA :: 54.3450 CB :: 34.8130 CG :: 24.8000 CD :: 29.5600 CE :: 42.4200 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.6690 HA :: 4.6570 HB2 :: 1.7420 HB3 :: 1.7420 HG2 :: 1.3600 HG3 :: 1.3600 HD2 :: 1.6960 HD3 :: 1.6960 HE2 :: 2.9450 HE3 :: 2.9450 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.9320 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V177 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.Q70 1.Q70 C Shift Assignments>> C :: 176.1050 CA :: 62.2370 CB :: 32.3640 CG1 :: 21.5200 CG2 :: 20.8000 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 :: 8.2580 HA :: 4.0760 HB :: 1.7380 HG11 :: 0.4390 HG12 :: 0.4390 HG13 :: 0.4390 HG21 :: 0.6780 HG22 :: 0.6780 HG23 :: 0.6780 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.2660 Ave N Shift Values>> N :: 121.14(4.54) 1.V178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 HN Overlap>> 1.D37 1.D37 C Shift Assignments>> C :: 174.0030 CA :: 61.3240 CB :: 34.2010 CG1 :: 21.4600 CG2 :: 20.7900 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 :: 8.7840 HA :: 4.1920 HB :: 1.9820 HG11 :: 0.7600 HG12 :: 0.7600 HG13 :: 0.7600 HG21 :: 0.8120 HG22 :: 0.8120 HG23 :: 0.8120 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 :: 127.2820 Ave N Shift Values>> N :: 121.14(4.54) 1.K179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.36 R 0.13 C Shift Assignments>> C :: 175.9040 CA :: 55.7580 CB :: 33.7060 CG :: 25.0000 CD :: 29.5400 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 :: 8.3140 HA :: 4.7230 HB2 :: 1.5880 HB3 :: 1.7020 HG2 :: 1.3300 HG3 :: 1.2300 HD2 :: 1.6240 HD3 :: 1.6240 HE2 :: 2.8900 HE3 :: 2.8900 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 :: 125.3120 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 L 0.14 D 0.12 K 0.1 C 0.1 I 0.04 N 0.01 C Shift Assignments>> C :: 175.0020 CA :: 57.2660 CB :: 40.7630 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 :: 8.7530 HA :: 4.7170 HB2 :: 3.0510 HB3 :: 2.8860 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.4830 Ave N Shift Values>> N :: 120.45(4.18) 1.L181 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E182 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H183 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H184 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H185 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H186 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.15 H 0.14 C 0.13 M 0.12 W 0.12 E 0.11 K 0.1 Q 0.08 V 0.01 C Shift Assignments>> C :: 174.1890 CA :: 56.3820 CB :: 31.1740 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 :: 4.5590 HB2 :: 3.0620 HB3 :: 2.9780 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.H188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 R 0.13 W 0.13 H 0.12 E 0.12 K 0.1 M 0.1 Q 0.06 V 0.03 C Shift Assignments>> C :: 179.6830 CA :: 57.9540 CB :: 31.2890 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 :: 7.8100 HA :: 4.3840 HB2 :: 2.9880 HB3 :: 3.1260 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 :: 125.7890 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 179 #Clerical: 0 #Suspicious: 8 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 175 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 12 Shift Relative Order (SRO) Results: #Consistent: 188 #Suspicious: 0 C Shift Results: #Consistent: 707 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent:1089 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 1 N Shift Results: #Consistent: 165 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V14 HG11 = -0.2800(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.9615e-05 1.V14 HG12 = -0.2800(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.9615e-05 1.V14 HG13 = -0.2800(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.9615e-05 1.E35 HA = 6.3150(A), Expected = 4.25, Std = 0.4100, ChiSquare = 4.7391e-07 1.E72 Typing: Suspicious 1.E72 CB = 35.7800(S), Expected = 30.01, Std = 1.7200, ChiSquare = 7.9465e-04 1.S76 HA = 2.6730(S), Expected = 4.48, Std = 0.4000, ChiSquare = 6.2574e-06 1.S76 HB3 = 2.8740(S), Expected = 3.85, Std = 0.2700, ChiSquare = 3.0056e-04 1.A126 HA = 2.7100(S), Expected = 4.26, Std = 0.4400, ChiSquare = 4.2713e-04 1.K136 HD2 = 0.5740(S), Expected = 1.61, Std = 0.2200, ChiSquare = 2.4882e-06 1.K136 HD3 = 0.5740(S), Expected = 1.60, Std = 0.2200, ChiSquare = 3.1067e-06 1.K136 HE2 = 2.2180(S), Expected = 2.92, Std = 0.1900, ChiSquare = 2.2011e-04 1.K136 HE3 = 2.0000(S), Expected = 2.91, Std = 0.2000, ChiSquare = 5.3646e-06 1.I155 CG2 = 22.2100(S), Expected = 17.53, Std = 1.3600, ChiSquare = 5.7919e-04 1.P166 HA = 3.2000(S), Expected = 4.40, Std = 0.3300, ChiSquare = 2.7651e-04 1.P166 HB3 = 0.7040(S), Expected = 2.00, Std = 0.3600, ChiSquare = 3.1822e-04 1.Y170 HB3 = 0.6670(S), Expected = 2.84, Std = 0.3900, ChiSquare = 2.5213e-08