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 0.44 I 0.39 A 0.15 C Shift Assignments>> CE :: 17.2050 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HE1 :: 1.9990 HE2 :: 1.9990 HE3 :: 1.9990 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.Y2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.99 C Shift Assignments>> C :: 173.4930 CA :: 58.3150 CB :: 40.0700 CD1 :: 133.3600 CD2 :: 133.3600 CE1 :: 117.8300 CE2 :: 117.8300 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>> HA :: 4.8040 HB2 :: 2.7730 HB3 :: 3.0130 HD1 :: 6.9980 HD2 :: 6.9980 HE1 :: 6.7700 HE2 :: 6.7700 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) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 L 0.43 K 0.02 C Shift Assignments>> C :: 173.0470 CA :: 50.7280 CB :: 22.6780 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7500 HA :: 4.7740 HB1 :: 1.0430 HB2 :: 1.0430 HB3 :: 1.0430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.6130 Ave N Shift Values>> N :: 123.23(3.54) 1.Y4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.6470 CA :: 56.9400 CB :: 40.6210 CD1 :: 133.6600 CD2 :: 133.6600 CE1 :: 117.9040 CE2 :: 117.9040 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 :: 8.6770 HA :: 5.0650 HB2 :: 3.2910 HB3 :: 2.6120 HD1 :: 7.0180 HD2 :: 7.0180 HE1 :: 6.6290 HE2 :: 6.6290 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 :: 119.1380 Ave N Shift Values>> N :: 120.52(4.2) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 G 0.29 A 0.02 C Shift Assignments>> C :: 173.4250 CA :: 59.6950 CB :: 42.7170 CG1 :: 29.0600 CG2 :: 18.6100 CD1 :: 16.3300 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 :: 8.6470 HA :: 5.2040 HB :: 1.6890 HG12 :: 1.4870 HG13 :: 1.1340 HG21 :: 0.9200 HG22 :: 0.9200 HG23 :: 0.9200 HD11 :: 0.8070 HD12 :: 0.8070 HD13 :: 0.8070 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 :: 122.7340 Ave N Shift Values>> N :: 121.46(4.28) 1.D6 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.33 D 0.26 R 0.17 K 0.06 G 0.06 N 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 176.0580 CA :: 52.6290 CB :: 42.8760 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 :: 8.9800 HA :: 6.1260(S) HB2 :: 2.8260 HB3 :: 2.4570 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 :: 127.3020 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 0.99 C Shift Assignments>> C :: 173.0090 CA :: 60.1200 CB :: 35.1220 CG1 :: 20.7000 CG2 :: 21.4400 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 :: 9.6310 HA :: 4.8320 HB :: 1.9250 HG11 :: 0.7090 HG12 :: 0.7090 HG13 :: 0.7090 HG21 :: 0.8450 HG22 :: 0.8450 HG23 :: 0.8450 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 :: 121.9710 Ave N Shift Values>> N :: 121.14(4.54) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.22 R 0.03 D 0.02 F 0.01 C Shift Assignments>> C :: 172.6150 CA :: 54.5020 CB :: 45.1370 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 :: 9.3000 HA :: 5.3320 HB2 :: 2.5700 HB3 :: 2.3270 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.4760 Ave N Shift Values>> N :: 120.65(3.86) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 A 0.03 G 0.02 HN Overlap>> 1.D104 1.D104 C Shift Assignments>> C :: 175.7580 CA :: 58.7560 CB :: 41.8720 CG1 :: 28.5550 CG2 :: 18.5460 CD1 :: 14.3040 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 :: 8.3590 HA :: 4.2160 HB :: 1.4100 HG12 :: 1.3980 HG13 :: 1.3980 HG21 :: 0.8200 HG22 :: 0.8200 HG23 :: 0.8200 HD11 :: 0.6530 HD12 :: 0.6530 HD13 :: 0.6530 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 :: 121.0910 Ave N Shift Values>> N :: 121.46(4.28) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.24 F 0.11 Y 0.11 L 0.08 C Shift Assignments>> C :: 170.4980 CA :: 53.9220 CB :: 39.1880 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 :: 10.1320 HA :: 4.8540 HB2 :: 3.6800 HB3 :: 2.6090 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.6520 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 172.4350 CA :: 62.7700 CB :: 33.3500 CG :: 27.2900 CD :: 49.2550 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 :: 4.1400 HB2 :: 1.3990 HB3 :: 1.3990 HG2 :: 1.1630 HG3 :: 1.1270 HD2 :: 2.4630(S) HD3 :: 2.4630 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.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V143 1.D56 1.V143 1.D56 C Shift Assignments>> C :: 172.2840 CA :: 57.7660 CB :: 65.0740 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2870 HA :: 5.5590 HB2 :: 3.6530 HB3 :: 3.5170 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 :: 121.7520 Ave N Shift Values>> N :: 116.28(3.52) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 I 0.15 C Shift Assignments>> C :: 172.1830 CA :: 60.6720 CB :: 44.1950 CG1 :: 29.6670 CG2 :: 18.2800 CD1 :: 14.9270 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 :: 9.3300 HA :: 4.4830 HB :: 1.5380 HG12 :: 1.4630 HG13 :: 0.8780 HG21 :: 0.8440 HG22 :: 0.8440 HG23 :: 0.8440 HD11 :: 0.7050 HD12 :: 0.7050 HD13 :: 0.7050 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 :: 128.2520 Ave N Shift Values>> N :: 121.46(4.28) 1.G14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 172.7980 CA :: 45.6830 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.2380 HA2 :: 3.4910 HA3 :: 5.6020(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.1340 Ave N Shift Values>> N :: 109.67(3.87) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.4 R 0.01 A 0.01 C Shift Assignments>> C :: 176.0260 CA :: 53.6870 CB :: 45.0160 CG :: 27.0400 CD1 :: 26.2500 CD2 :: 24.1730 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.9600 HA :: 5.2590 HB2 :: 2.1480 HB3 :: 1.3140 HG :: 1.6810 HD11 :: 0.6990 HD12 :: 0.6990 HD13 :: 0.6990 HD21 :: 0.8070 HD22 :: 0.8070 HD23 :: 0.8070 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 :: 124.2430 Ave N Shift Values>> N :: 121.86(3.9) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.5360 CA :: 61.3610 CB :: 34.3070 CG1 :: 21.3300 CG2 :: 20.8900 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 :: 8.3010 HA :: 4.7280 HB :: 1.7620 HG11 :: 0.7320 HG12 :: 0.7320 HG13 :: 0.7320 HG21 :: 0.9920 HG22 :: 0.9920 HG23 :: 0.9920 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 :: 123.2880 Ave N Shift Values>> N :: 121.14(4.54) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 A 0.08 G 0.03 C Shift Assignments>> C :: 175.3100 CA :: 58.2350 CB :: 42.0720 CG1 :: 26.7060 CG2 :: 18.2180 CD1 :: 14.5100 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 :: 8.8070 HA :: 5.8160 HB :: 1.9280 HG12 :: 1.6130 HG13 :: 1.6130 HG21 :: 0.8180 HG22 :: 0.8180 HG23 :: 0.8180 HD11 :: 0.9240 HD12 :: 0.9240 HD13 :: 0.9240 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 :: 119.6490 Ave N Shift Values>> N :: 121.46(4.28) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.28 K 0.09 N 0.09 R 0.07 F 0.04 Y 0.02 G 0.01 HN Overlap>> 1.I91 1.I91 C Shift Assignments>> C :: 177.5600 CA :: 52.2480 CB :: 42.1610 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 :: 8.4840 HA :: 4.9080 HB2 :: 3.4120 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 :: 121.8590 Ave N Shift Values>> N :: 120.65(3.86) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.17 G 0.01 HN Overlap>> 1.E141 1.E141 C Shift Assignments>> C :: 176.6760 CA :: 57.8090 CB :: 32.3800 CG :: 24.7270 CD :: 29.4900 CE :: 42.1840 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 :: 8.0680 HA :: 3.5120 HB2 :: 1.5660 HB3 :: 1.5660 HG2 :: 1.1870 HG3 :: 1.0770 HD2 :: 1.4890 HD3 :: 1.4890 HE2 :: 2.9000 HE3 :: 2.9000 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 :: 115.9110 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.32 G 0.01 HN Overlap>> 1.A133 1.A133 C Shift Assignments>> C :: 175.3290 CA :: 55.0140 CB :: 31.1140 CG :: 25.0600 CD :: 29.0000 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 :: 7.9560 HA :: 4.3490 HB2 :: 2.0170 HB3 :: 1.8610 HG2 :: 1.2940 HG3 :: 1.4050 HD2 :: 1.6380 HD3 :: 1.6380 HE2 :: 2.9840 HE3 :: 2.9840 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 :: 119.5960 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 E 0.37 K 0.03 L 0.03 C Shift Assignments>> C :: 173.1060 CA :: 57.9580 CB :: 27.5670 CG :: 37.3520 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 :: 8.2430 HA :: 3.6210 HB2 :: 2.5160 HB3 :: 2.3790 HG2 :: 2.1460 HG3 :: 2.1460 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 :: 113.5190 Ave N Shift Values>> N :: 120.67(3.48) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.23 G 0.01 C Shift Assignments>> C :: 176.3610 CA :: 56.0000 CB :: 32.8690 CG :: 25.2500 CD :: 29.0700 CE :: 42.2200 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 :: 8.5070 HA :: 4.3370 HB2 :: 1.7260 HB3 :: 1.5970 HG2 :: 1.4120 HG3 :: 1.4120 HD2 :: 1.6440 HD3 :: 1.6440 HE2 :: 2.9850 HE3 :: 2.9850 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.7820 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.9880 CA :: 63.4540 CB :: 30.8320 CG1 :: 23.1000 CG2 :: 22.4000 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 :: 8.7190 HA :: 4.1830 HB :: 2.5430 HG11 :: 0.8170 HG12 :: 0.8170 HG13 :: 0.8170 HG21 :: 0.8840 HG22 :: 0.8840 HG23 :: 0.8840 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 :: 123.7010 Ave N Shift Values>> N :: 121.14(4.54) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.4980 CA :: 60.8870 CB :: 38.8110 CG1 :: 26.8700 CG2 :: 18.4150 CD1 :: 13.6500 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 :: 9.1410 HA :: 4.4920 HB :: 1.9090 HG12 :: 1.2230 HG13 :: 1.0320 HG21 :: 0.9190 HG22 :: 0.9190 HG23 :: 0.9190 HD11 :: 0.8000 HD12 :: 0.8000 HD13 :: 0.8000 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 :: 126.1490 Ave N Shift Values>> N :: 121.46(4.28) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 G 0.24 R 0.21 D 0.11 F 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 172.6740 CA :: 53.6820 CB :: 43.9660 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 :: 7.8380 HA :: 4.7280 HB2 :: 2.6380 HB3 :: 2.3340 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 :: 117.9270 Ave N Shift Values>> N :: 120.65(3.86) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 A 0.47 K 0.02 C Shift Assignments>> C :: 174.5700 CA :: 51.0430 CB :: 22.7320 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4420 HA :: 5.2880 HB1 :: 1.1500 HB2 :: 1.1500 HB3 :: 1.1500 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.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.06 A 0.05 G 0.05 C Shift Assignments>> C :: 172.9940 CA :: 52.5320 CB :: 35.2480 CG :: 24.2080 CD :: 29.1770 CE :: 42.1400 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 :: 9.6540 HA :: 4.9380 HB2 :: 1.6890 HB3 :: 1.7190 HG2 :: 1.3090 HG3 :: 1.3090 HD2 :: 1.6210 HD3 :: 1.6210 HE2 :: 2.9070 HE3 :: 2.9070 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.6820 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.6450 CA :: 61.7240 CB :: 31.1360 CG :: 27.0300 CD :: 50.1400 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 :: 4.5440 HB2 :: 2.3730 HB3 :: 1.7220 HG2 :: 2.4710 HG3 :: 2.1900 HD2 :: 3.8720 HD3 :: 3.7720 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.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 A 0.21 C Shift Assignments>> C :: 176.1040 CA :: 55.1510 CB :: 40.1010 CG :: 27.7000 CD1 :: 24.1500 CD2 :: 21.9500 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 :: 8.8600 HA :: 4.3030 HB2 :: 1.3710 HB3 :: 1.3980 HG :: 1.3800 HD11 :: 0.6150 HD12 :: 0.6150 HD13 :: 0.6150 HD21 :: 0.6520 HD22 :: 0.6520 HD23 :: 0.6520 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 :: 125.2120 Ave N Shift Values>> N :: 121.86(3.9) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.28 L 0.07 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.1490 CA :: 50.8300 CB :: 39.8980 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.7770 HA :: 4.7130 HB2 :: 3.2910 HB3 :: 3.1130 HD21 :: 7.6020 HD22 :: 6.8830 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.2360 ND2 :: 113.2300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.24 N 0.13 E 0.1 D 0.07 I 0.06 M 0.03 L 0.03 C Shift Assignments>> C :: 178.3070 CA :: 56.3870 CB :: 38.0780 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 :: 8.8440 HA :: 4.4770 HB2 :: 2.8840 HB3 :: 2.8450 HD21 :: 7.7600 HD22 :: 7.0170 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 :: 118.3500 ND2 :: 113.2900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 D 0.22 Y 0.22 L 0.14 N 0.1 I 0.03 K 0.01 HN Overlap>> 1.S85 1.S85 C Shift Assignments>> C :: 176.7020 CA :: 55.9940 CB :: 39.9190 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 :: 8.5050 HA :: 4.4710 HB2 :: 2.5420 HB3 :: 2.5400 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.3700 Ave N Shift Values>> N :: 120.65(3.86) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 L 0.2 M 0.02 V 0.01 C Shift Assignments>> C :: 177.9170 CA :: 53.4920 CB :: 21.1210 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4920 HA :: 4.0140 HB1 :: 1.5460 HB2 :: 1.5460 HB3 :: 1.5460 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.1330 Ave N Shift Values>> N :: 123.23(3.54) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 K 0.27 G 0.16 HN Overlap>> 1.L37 1.L37 C Shift Assignments>> C :: 174.3050 CA :: 62.3920 CB :: 29.7710 CG :: 26.0900 CD :: 29.6480 CE :: 42.4600 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 :: 7.8250 HA :: 4.0730 HB2 :: 2.1870 HB3 :: 2.0180 HG2 :: 1.6340 HG3 :: 1.4970 HD2 :: 1.8430 HD3 :: 1.7630 HE2 :: 3.0590 HE3 :: 3.0590 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 :: 119.0590 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.7600 CA :: 65.6620 CB :: 31.1390 CG :: 28.5290 CD :: 49.9150 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 :: 4.5110 HB2 :: 2.4620 HB3 :: 1.8880 HG2 :: 2.1460 HG3 :: 2.1000 HD2 :: 3.8340 HD3 :: 3.8340 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.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.7670 CA :: 63.2600 CB :: 37.3640 CG1 :: 28.0540 CG2 :: 17.6170 CD1 :: 12.2880 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 :: 6.4930 HA :: 3.7730 HB :: 1.9510 HG12 :: 1.4970 HG13 :: 1.3120 HG21 :: 0.7750 HG22 :: 0.7750 HG23 :: 0.7750 HD11 :: 0.7780 HD12 :: 0.7780 HD13 :: 0.7780 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 :: 115.5240 Ave N Shift Values>> N :: 121.46(4.28) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 R 0.01 HN Overlap>> 1.K34 1.K34 C Shift Assignments>> C :: 179.3290 CA :: 57.7770 CB :: 41.1910 CG :: 26.6900 CD1 :: 25.2000 CD2 :: 23.4000 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 :: 7.9300 HA :: 3.8760 HB2 :: 1.8930 HB3 :: 1.5890 HG :: 1.6340 HD11 :: 0.7100 HD12 :: 0.7100 HD13 :: 0.7100 HD21 :: 0.7100 HD22 :: 0.7100 HD23 :: 0.7100 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 :: 119.0240 Ave N Shift Values>> N :: 121.86(3.9) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.28 D 0.13 L 0.12 I 0.06 K 0.03 N 0.03 HN Overlap>> 1.L153 1.L153 C Shift Assignments>> C :: 177.3880 CA :: 57.2780 CB :: 40.1990 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 :: 8.6630 HA :: 4.3730 HB2 :: 2.7300 HB3 :: 2.6900 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 :: 120.7720 Ave N Shift Values>> N :: 120.65(3.86) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 I 0.11 M 0.1 K 0.08 Q 0.06 C Shift Assignments>> C :: 177.1650 CA :: 58.3570 CB :: 30.2380 CG :: 36.3000 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 :: 7.3010 HA :: 4.1360 HB2 :: 2.1330 HB3 :: 1.9750 HG2 :: 2.4130 HG3 :: 2.1780 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 :: 117.4560 Ave N Shift Values>> N :: 120.67(3.48) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.18 L 0.04 V 0.01 HN Overlap>> 1.I57 1.I57 C Shift Assignments>> C :: 175.5880 CA :: 54.5380 CB :: 19.7990 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6140 HA :: 3.7730 HB1 :: 1.2460 HB2 :: 1.2460 HB3 :: 1.2460 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.6930 Ave N Shift Values>> N :: 123.23(3.54) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.17 C Shift Assignments>> C :: 174.1590 CA :: 52.2110 CB :: 18.1220 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0350 HA :: 4.2400 HB1 :: 1.3120 HB2 :: 1.3120 HB3 :: 1.3120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 114.7800 Ave N Shift Values>> N :: 123.23(3.54) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.3730 CA :: 63.8490 CB :: 33.3240 CG :: 26.8800 CD :: 49.3300 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 :: 4.6040 HB2 :: 1.9080 HB3 :: 1.8510 HG2 :: 1.6270 HG3 :: 1.5450 HD2 :: 3.6110 HD3 :: 3.7570 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.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.38 G 0.02 C Shift Assignments>> C :: 176.2540 CA :: 59.6170 CB :: 32.0280 CG :: 25.9800 CD :: 29.6900 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 :: 7.8700 HA :: 3.5420 HB2 :: 1.7190 HB3 :: 1.6530 HG2 :: 1.3450 HG3 :: 1.2510 HD2 :: 1.7710 HD3 :: 1.7710 HE2 :: 3.0940 HE3 :: 3.0940 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 :: 119.2840 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.31 D 0.11 I 0.08 L 0.07 N 0.05 E 0.01 C Shift Assignments>> C :: 174.6490 CA :: 57.0750 CB :: 39.2660 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 :: 9.1190 HA :: 4.1770 HB2 :: 3.0880 HB3 :: 2.9360 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 :: 117.4980 Ave N Shift Values>> N :: 120.65(3.86) 1.M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.35 C Shift Assignments>> C :: 173.1900 CA :: 54.5080 CB :: 33.6370 CG :: 32.4700 CE :: 17.3220 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 :: 8.0250 HA :: 4.8640 HB2 :: 2.1970 HB3 :: 2.0260 HG2 :: 2.5650 HG3 :: 2.5650 HE1 :: 2.1100 HE2 :: 2.1100 HE3 :: 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 :: 118.6790 Ave N Shift Values>> N :: 120.09(3.57) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.1130 CA :: 62.9040 CB :: 32.5710 CG :: 28.7580 CD :: 51.1090 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 :: 4.7260 HB2 :: 2.6400 HB3 :: 2.0720 HG2 :: 2.0060 HG3 :: 2.2610 HD2 :: 4.0670 HD3 :: 3.6730 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.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.09 G 0.02 C Shift Assignments>> C :: 176.8040 CA :: 59.0420 CB :: 42.1930 CG :: 26.8300 CD1 :: 25.5300 CD2 :: 23.2800 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.0660 HA :: 3.8700 HB2 :: 2.0680 HB3 :: 1.6950 HG :: 1.3720 HD11 :: 0.8810 HD12 :: 0.8810 HD13 :: 0.8810 HD21 :: 0.7690 HD22 :: 0.7690 HD23 :: 0.7690 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 :: 124.6030 Ave N Shift Values>> N :: 121.86(3.9) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.0840 CA :: 62.0080 CB :: 38.5640 CD1 :: 133.7450 CD2 :: 133.7450 CE1 :: 117.9000 CE2 :: 117.9000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.3630 HA :: 3.5740 HB2 :: 3.1210 HB3 :: 2.8660 HD1 :: 7.0640 HD2 :: 7.0640 HE1 :: 6.6390 HE2 :: 6.6390 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.4810 Ave N Shift Values>> N :: 120.52(4.2) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 L 0.18 D 0.15 K 0.14 I 0.03 N 0.02 R 0.01 C Shift Assignments>> C :: 178.0420 CA :: 57.0030 CB :: 40.9080 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 :: 7.4260 HA :: 4.2670 HB2 :: 2.7660 HB3 :: 2.6810 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 :: 119.7490 Ave N Shift Values>> N :: 120.65(3.86) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.2 L 0.05 V 0.02 I 0.01 C Shift Assignments>> C :: 179.5110 CA :: 54.9680 CB :: 19.9140 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0260 HA :: 4.1510 HB1 :: 1.4470 HB2 :: 1.4470 HB3 :: 1.4470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.6610 Ave N Shift Values>> N :: 123.23(3.54) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 R 0.35 G 0.05 C Shift Assignments>> C :: 178.0920 CA :: 57.1850 CB :: 42.7720 CG :: 26.9900 CD1 :: 24.2760 CD2 :: 26.9900 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 :: 8.6040 HA :: 3.9460 HB2 :: 1.8240 HB3 :: 1.2540 HG :: 1.6500 HD11 :: 0.8000 HD12 :: 0.8000 HD13 :: 0.8000 HD21 :: 0.7230 HD22 :: 0.7230 HD23 :: 0.7230 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 :: 115.7150 Ave N Shift Values>> N :: 121.86(3.9) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.0480 CA :: 62.6600 CB :: 62.4400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2840 HA :: 3.8060 HB2 :: 3.8060 HB3 :: 3.8060 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 :: 116.1580 Ave N Shift Values>> N :: 116.28(3.52) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 R 0.14 G 0.01 HN Overlap>> 1.Y135 1.Y135 C Shift Assignments>> C :: 178.0710 CA :: 59.1830 CB :: 32.4020 CG :: 25.0700 CD :: 29.2100 CE :: 41.9900 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 :: 7.9180 HA :: 4.2330 HB2 :: 1.9420 HB3 :: 1.9420 HG2 :: 1.5130 HG3 :: 1.5130 HD2 :: 1.6730 HD3 :: 1.6730 HE2 :: 3.0580 HE3 :: 3.0580 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 :: 121.9400 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.6890 CA :: 66.2390 CB :: 38.1310 CG1 :: 30.9200 CG2 :: 16.7500 CD1 :: 13.8500 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 :: 8.2110 HA :: 3.3250 HB :: 1.9320 HG12 :: 1.8980 HG13 :: 0.5890 HG21 :: 0.6270 HG22 :: 0.6270 HG23 :: 0.6270 HD11 :: 0.7150 HD12 :: 0.7150 HD13 :: 0.7150 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.7000 Ave N Shift Values>> N :: 121.46(4.28) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 C Shift Assignments>> C :: 177.5430 CA :: 58.7010 CB :: 40.3300 CG :: 27.3700 CD1 :: 26.0000 CD2 :: 23.4800 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 :: 8.7560 HA :: 3.9370 HB2 :: 2.0630 HB3 :: 1.2200 HG :: 1.8830 HD11 :: 0.7450 HD12 :: 0.7450 HD13 :: 0.7450 HD21 :: 0.7510 HD22 :: 0.7510 HD23 :: 0.7510 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.0850 Ave N Shift Values>> N :: 121.86(3.9) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 F 0.23 Y 0.18 L 0.13 R 0.07 I 0.05 D 0.05 HN Overlap>> 1.V143 1.V143 1.S12 1.S12 C Shift Assignments>> C :: 178.8350 CA :: 58.5200 CB :: 41.7630 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 :: 8.2340 HA :: 4.4540 HB2 :: 2.9120 HB3 :: 2.8240 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.7300 Ave N Shift Values>> N :: 120.65(3.86) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A40 1.A40 C Shift Assignments>> C :: 178.4710 CA :: 63.9820 CB :: 37.5580 CG1 :: 28.9800 CG2 :: 19.2200 CD1 :: 13.5100 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 :: 8.6310 HA :: 3.7280 HB :: 1.8810 HG12 :: 1.6480 HG13 :: 1.3900 HG21 :: 1.0060 HG22 :: 1.0060 HG23 :: 1.0060 HD11 :: 0.8070 HD12 :: 0.8070 HD13 :: 0.8070 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 :: 119.6960 Ave N Shift Values>> N :: 121.46(4.28) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.8 T 0.19 C Shift Assignments>> C :: 175.6130 CA :: 64.3500 CB :: 62.5650 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2800 HA :: 4.2910 HB2 :: 3.6800 HB3 :: 3.6800 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 :: 117.4710 Ave N Shift Values>> N :: 116.28(3.52) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.36 G 0.01 C Shift Assignments>> C :: 179.5380 CA :: 59.7560 CB :: 32.9150 CG :: 25.8070 CD :: 30.1000 CE :: 42.2200 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 :: 8.2920 HA :: 4.4150 HB2 :: 2.0730 HB3 :: 2.0730 HG2 :: 1.6270 HG3 :: 1.6270 HD2 :: 1.7470 HD3 :: 1.7470 HE2 :: 2.9930 HE3 :: 2.9930 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 :: 123.5100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.15 C Shift Assignments>> C :: 177.7470 CA :: 59.5700 CB :: 32.0650 CG :: 25.1500 CD :: 30.0000 CE :: 41.8000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2900 HA :: 4.0590 HB2 :: 1.9830 HB3 :: 1.9830 HG2 :: 1.4910 HG3 :: 1.4910 HD2 :: 1.6930 HD3 :: 1.6930 HE2 :: 3.0000 HE3 :: 3.0000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.1800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.21 F 0.08 Y 0.08 L 0.06 HN Overlap>> 1.S96 1.S96 C Shift Assignments>> C :: 174.4560 CA :: 53.3250 CB :: 38.9850 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.9710 HA :: 4.7000 HB2 :: 3.0580 HB3 :: 2.6360 HD21 :: 7.4600 HD22 :: 7.0950 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.5520 ND2 :: 111.6490 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 174.2330 CA :: 46.0420 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6860 HA2 :: 3.8330 HA3 :: 4.0460 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.0990 Ave N Shift Values>> N :: 109.67(3.87) 1.Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.E148 1.E148 C Shift Assignments>> C :: 174.6530 CA :: 60.0760 CB :: 39.5090 CD1 :: 132.3900 CD2 :: 132.3900 CE1 :: 118.7200 CE2 :: 118.7200 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 :: 8.0470 HA :: 4.5130 HB2 :: 3.0080 HB3 :: 2.6290 HD1 :: 7.1760 HD2 :: 7.1760 HE1 :: 6.9400 HE2 :: 6.9400 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 :: 116.9860 Ave N Shift Values>> N :: 120.52(4.2) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.2200 CA :: 60.2600 CB :: 39.5770 CG1 :: 27.8840 CG2 :: 17.9700 CD1 :: 14.2400 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 :: 7.0600 HA :: 4.4110 HB :: 1.4620 HG12 :: 1.3290 HG13 :: 0.9950 HG21 :: 0.8930 HG22 :: 0.8930 HG23 :: 0.8930 HD11 :: 0.8560 HD12 :: 0.8560 HD13 :: 0.8560 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 :: 115.3530 Ave N Shift Values>> N :: 121.46(4.28) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.3 L 0.09 F 0.06 Y 0.05 HN Overlap>> 1.D88 1.D88 C Shift Assignments>> C :: 174.2340 CA :: 52.6740 CB :: 39.8070 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 :: 8.2470 HA :: 4.7760 HB2 :: 3.0170 HB3 :: 2.8160 HD21 :: 7.4530 HD22 :: 7.1710 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 :: 122.6510 ND2 :: 115.2950 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2440 CA :: 60.2220 CB :: 63.4420 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3840 HA :: 4.2790 HB2 :: 3.9760 HB3 :: 3.8910 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 :: 113.5200 Ave N Shift Values>> N :: 116.28(3.52) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.14 C Shift Assignments>> C :: 176.9340 CA :: 53.1600 CB :: 19.2150 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3140 HA :: 4.4290 HB1 :: 1.4150 HB2 :: 1.4150 HB3 :: 1.4150 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.9450 Ave N Shift Values>> N :: 123.23(3.54) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.21 N 0.17 F 0.08 K 0.07 Y 0.06 HN Overlap>> 1.H165 1.H165 C Shift Assignments>> C :: 175.4140 CA :: 53.6800 CB :: 40.9400 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 :: 7.9310 HA :: 4.7410 HB2 :: 2.8880 HB3 :: 2.5180 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.8870 Ave N Shift Values>> N :: 120.65(3.86) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.22 F 0.07 Y 0.07 L 0.06 C Shift Assignments>> C :: 172.9730 CA :: 53.1040 CB :: 39.0570 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 :: 8.0150 HA :: 4.8350 HB2 :: 2.9540 HB3 :: 2.8920 HD21 :: 7.4360 HD22 :: 6.8230 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 :: 120.6080 ND2 :: 109.6950 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.5790 CA :: 60.0560 CB :: 40.4800 CG1 :: 28.2400 CG2 :: 16.9800 CD1 :: 14.2000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.6760 HA :: 4.4220 HB :: 1.4930 HG12 :: 1.4300 HG13 :: 0.7800 HG21 :: 0.6420 HG22 :: 0.6420 HG23 :: 0.6420 HD11 :: 0.7560 HD12 :: 0.7560 HD13 :: 0.7560 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 :: 117.9540 Ave N Shift Values>> N :: 121.46(4.28) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 172.5760 CA :: 60.7080 CB :: 33.5300 CG1 :: 21.8300 CG2 :: 21.8300 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 :: 8.4890 HA :: 4.3520 HB :: 1.6990 HG11 :: 0.2440 HG12 :: 0.2440 HG13 :: 0.2440 HG21 :: 0.7500 HG22 :: 0.7500 HG23 :: 0.7500 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.7000 Ave N Shift Values>> N :: 121.14(4.54) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.32 A 0.01 C Shift Assignments>> C :: 174.2380 CA :: 52.9590 CB :: 45.7130 CG :: 26.7700 CD1 :: 25.6400 CD2 :: 24.0300 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 :: 8.2850 HA :: 5.0530 HB2 :: 1.9460 HB3 :: 1.2300 HG :: 1.5870 HD11 :: 0.6970 HD12 :: 0.6970 HD13 :: 0.6970 HD21 :: 0.8370 HD22 :: 0.8370 HD23 :: 0.8370 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 :: 126.1300 Ave N Shift Values>> N :: 121.86(3.9) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 G 0.29 C Shift Assignments>> C :: 174.3180 CA :: 55.3090 CB :: 43.7030 CD1 :: 132.1600 CD2 :: 132.1600 CE1 :: 130.9400 CE2 :: 130.9400 CZ :: 128.2600 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 :: 9.2730 HA :: 5.7260 HB2 :: 3.0680 HB3 :: 2.9250 HD1 :: 7.1350 HD2 :: 7.1350 HE1 :: 6.9780 HE2 :: 6.9780 HZ :: 6.7820 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 :: 124.0620 Ave N Shift Values>> N :: 120.45(4.18) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.5310 CA :: 56.7320 CB :: 65.3780 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.1390 HA :: 5.2810 HB2 :: 3.5950 HB3 :: 3.5950 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 :: 114.4110 Ave N Shift Values>> N :: 116.28(3.52) 1.A75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.57 A 0.33 K 0.05 P 0.02 C Shift Assignments>> C :: 174.0620 CA :: 50.2730 CB :: 23.2890 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3090 HA :: 5.8620(S) HB1 :: 1.1460 HB2 :: 1.1460 HB3 :: 1.1460 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.0180 Ave N Shift Values>> N :: 123.23(3.54) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.82 T 0.17 C Shift Assignments>> C :: 172.9790 CA :: 57.2280 CB :: 66.6270 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.0340 HA :: 4.7580 HB2 :: 3.6390 HB3 :: 3.5460 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 :: 114.9020 Ave N Shift Values>> N :: 116.28(3.52) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.1650 CA :: 59.6130 CB :: 39.6630 CG1 :: 28.0400 CG2 :: 17.3200 CD1 :: 12.6900 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 :: 8.6760 HA :: 4.4090 HB :: 1.7590 HG12 :: 1.4130 HG13 :: 1.1550 HG21 :: 0.7890 HG22 :: 0.7890 HG23 :: 0.7890 HD11 :: 0.6780 HD12 :: 0.6780 HD13 :: 0.6780 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 :: 124.1580 Ave N Shift Values>> N :: 121.46(4.28) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.15 Y 0.07 F 0.06 L 0.03 M 0.01 E 0.01 C Shift Assignments>> C :: 174.4960 CA :: 52.8660 CB :: 38.4530 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 :: 8.5780 HA :: 4.9190 HB2 :: 2.9930 HB3 :: 2.5920 HD21 :: 7.6960 HD22 :: 6.9480 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.2230 ND2 :: 112.1300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.8070 CA :: 58.8100 CB :: 64.0530 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4740 HA :: 4.4950 HB2 :: 4.0450 HB3 :: 3.8820 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.9150 Ave N Shift Values>> N :: 116.28(3.52) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.0780 CA :: 45.6270 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5880 HA2 :: 4.0370 HA3 :: 4.0370 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.9050 Ave N Shift Values>> N :: 109.67(3.87) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.81 G 0.11 K 0.06 C Shift Assignments>> C :: 175.7950 CA :: 56.3030 CB :: 30.5290 CG :: 26.9300 CD :: 43.4000 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 :: 8.2730 HA :: 4.3730 HB2 :: 1.9370 HB3 :: 1.8060 HG2 :: 1.6610 HG3 :: 1.6610 HD2 :: 3.2520 HD3 :: 3.2520 HE :: 7.3310 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.2230 NE :: 84.6700 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.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.19 Y 0.09 F 0.09 L 0.05 C Shift Assignments>> C :: 174.3200 CA :: 53.5150 CB :: 38.7840 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 :: 8.4860 HA :: 4.7230 HB2 :: 2.8840 HB3 :: 2.8290 HD21 :: 7.6720 HD22 :: 6.9660 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 :: 118.1900 ND2 :: 113.2080 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.17 Y 0.08 F 0.08 L 0.04 M 0.01 C Shift Assignments>> C :: 174.8430 CA :: 53.2550 CB :: 38.6460 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 :: 8.3340 HA :: 4.7710 HB2 :: 2.8910 HB3 :: 2.7920 HD21 :: 7.6570 HD22 :: 6.9600 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 :: 118.3700 ND2 :: 112.9910 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.D149 1.Q92 1.E110 1.D149 1.Q92 1.E110 C Shift Assignments>> C :: 176.0350 CA :: 63.3080 CB :: 32.4610 CG1 :: 21.0300 CG2 :: 21.0300 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 :: 8.2160 HA :: 4.1470 HB :: 2.1750 HG11 :: 0.9940 HG12 :: 0.9940 HG13 :: 0.9940 HG21 :: 0.9940 HG22 :: 0.9940 HG23 :: 0.9940 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 :: 120.6080 Ave N Shift Values>> N :: 121.14(4.54) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D32 1.D32 C Shift Assignments>> C :: 174.9680 CA :: 58.9570 CB :: 63.8510 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4740 HA :: 4.4960 HB2 :: 3.9700 HB3 :: 3.9190 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.4280 Ave N Shift Values>> N :: 116.28(3.52) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 I 0.12 K 0.1 M 0.06 Q 0.05 C Shift Assignments>> C :: 176.7780 CA :: 57.6540 CB :: 29.8280 CG :: 36.5800 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 :: 8.4570 HA :: 4.3000 HB2 :: 2.1320 HB3 :: 2.0500 HG2 :: 2.3330 HG3 :: 2.3330 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 :: 122.3420 Ave N Shift Values>> N :: 120.67(3.48) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3480 CA :: 59.3180 CB :: 63.4690 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2100 HA :: 4.4090 HB2 :: 3.9120 HB3 :: 3.9690 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 :: 115.2280 Ave N Shift Values>> N :: 116.28(3.52) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.23 F 0.14 K 0.13 Y 0.11 N 0.07 R 0.01 HN Overlap>> 1.N65 1.N65 C Shift Assignments>> C :: 176.5380 CA :: 55.3430 CB :: 41.0300 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 :: 8.2440 HA :: 4.5790 HB2 :: 2.7770 HB3 :: 2.7770 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.6480 Ave N Shift Values>> N :: 120.65(3.86) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.21 G 0.01 C Shift Assignments>> C :: 177.5830 CA :: 57.9180 CB :: 32.5380 CG :: 25.0000 CD :: 29.1300 CE :: 42.1700 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 :: 8.1880 HA :: 4.1880 HB2 :: 1.8790 HB3 :: 1.8790 HG2 :: 1.5250 HG3 :: 1.5250 HD2 :: 1.6840 HD3 :: 1.6840 HE2 :: 3.0150 HE3 :: 3.0150 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.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 175.8050 CA :: 46.3520 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5730 HA2 :: 4.0290 HA3 :: 4.0290 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9530 Ave N Shift Values>> N :: 109.67(3.87) 1.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.D18 1.D18 C Shift Assignments>> C :: 176.4230 CA :: 62.4940 CB :: 38.0070 CG1 :: 29.0500 CG2 :: 17.8300 CD1 :: 12.9500 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 :: 8.4980 HA :: 4.0600 HB :: 1.9980 HG12 :: 1.4570 HG13 :: 1.4570 HG21 :: 1.0470 HG22 :: 1.0470 HG23 :: 1.0470 HD11 :: 0.8910 HD12 :: 0.8910 HD13 :: 0.8910 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 :: 121.8340 Ave N Shift Values>> N :: 121.46(4.28) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.29 R 0.16 E 0.08 I 0.06 M 0.01 HN Overlap>> 1.V84 1.D149 1.V84 1.D149 1.E110 1.E110 C Shift Assignments>> C :: 178.3820 CA :: 58.9450 CB :: 27.6590 CG :: 33.9400 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 :: 8.2200 HA :: 3.9840 HB2 :: 2.1610 HB3 :: 2.1610 HG2 :: 2.5050 HG3 :: 2.5050 HE21 :: 7.5830 HE22 :: 6.8610 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 :: 120.5000 NE2 :: 112.5250 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 E 0.44 K 0.05 Q 0.01 HN Overlap>> 1.E163 1.A105 1.E163 1.A105 C Shift Assignments>> C :: 178.5140 CA :: 59.6290 CB :: 29.0800 CG :: 36.9600 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 :: 8.0330 HA :: 4.1090 HB2 :: 2.1610 HB3 :: 2.1610 HG2 :: 2.3930 HG3 :: 2.3930 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 :: 119.9000 Ave N Shift Values>> N :: 120.67(3.48) 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.1920 CA :: 64.5620 CB :: 37.8870 CG1 :: 29.0800 CG2 :: 17.0700 CD1 :: 13.6100 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 :: 7.4450 HA :: 3.6300 HB :: 1.9060 HG12 :: 1.0060 HG13 :: 1.6950 HG21 :: 0.6320 HG22 :: 0.6320 HG23 :: 0.6320 HD11 :: 0.7130 HD12 :: 0.7130 HD13 :: 0.7130 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 :: 119.9800 Ave N Shift Values>> N :: 121.46(4.28) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.7410 CA :: 66.1540 CB :: 37.2870 CG1 :: 29.9500 CG2 :: 17.0800 CD1 :: 13.4800 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 :: 8.4260 HA :: 3.3530 HB :: 1.9410 HG12 :: 1.7610 HG13 :: 0.9780 HG21 :: 0.9280 HG22 :: 0.9280 HG23 :: 0.9280 HD11 :: 0.8100 HD12 :: 0.8100 HD13 :: 0.8100 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 :: 119.3780 Ave N Shift Values>> N :: 121.46(4.28) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.28 T 0.25 I 0.21 P 0.16 F 0.02 Y 0.02 S 0.01 HN Overlap>> 1.N61 1.N61 C Shift Assignments>> C :: 175.8250 CA :: 62.4870 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9420 HA :: 4.0200 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 :: 114.6320 Ave N Shift Values>> N :: 116.28(3.52) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.6000 CA :: 66.8090 CB :: 67.9860 CG2 :: 22.3900 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 :: 7.6490 HA :: 4.0310 HB :: 4.3440 HG21 :: 1.2040 HG22 :: 1.2040 HG23 :: 1.2040 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 :: 119.0630 Ave N Shift Values>> N :: 115.42(4.75) 1.L98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.95 A 0.04 HN Overlap>> 1.A105 1.A105 C Shift Assignments>> C :: 177.1310 CA :: 57.7440 CB :: 39.8060 CG :: 25.1800 CD1 :: 25.1800 CD2 :: 22.2700 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 :: 7.9100 HA :: 3.2400 HB2 :: 1.6590 HB3 :: 0.2140(S) HG :: 1.7530 HD11 :: 0.4400 HD12 :: 0.4400 HD13 :: 0.4400 HD21 :: 0.0970 HD22 :: 0.0970 HD23 :: 0.0970 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 :: 119.7980 Ave N Shift Values>> N :: 121.86(3.9) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 K 0.47 G 0.02 C Shift Assignments>> C :: 178.4780 CA :: 59.9190 CB :: 32.2320 CG :: 26.1900 CD :: 30.3400 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 :: 8.0840 HA :: 3.1700 HB2 :: 1.8130 HB3 :: 1.7000 HG2 :: 1.5420 HG3 :: 1.0850 HD2 :: 1.7080 HD3 :: 1.7080 HE2 :: 2.9880 HE3 :: 2.9880 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.6170 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 0.33 Y 0.31 L 0.1 D 0.1 I 0.08 K 0.02 N 0.02 HN Overlap>> 1.D124 1.D124 1.D118 1.D118 C Shift Assignments>> C :: 177.9300 CA :: 57.6200 CB :: 40.0460 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 :: 7.8330 HA :: 4.4170 HB2 :: 3.0320 HB3 :: 2.8330 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 :: 120.5130 Ave N Shift Values>> N :: 120.65(3.86) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.6740 CA :: 65.7500 CB :: 31.1990 CG1 :: 21.5900 CG2 :: 24.1600 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 :: 8.3830 HA :: 3.4000 HB :: 1.9370 HG11 :: 0.7070 HG12 :: 0.7070 HG13 :: 0.7070 HG21 :: 0.7260 HG22 :: 0.7260 HG23 :: 0.7260 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 :: 119.2560 Ave N Shift Values>> N :: 121.14(4.54) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.47 I 0.03 C Shift Assignments>> C :: 178.7360 CA :: 55.2170 CB :: 18.6450 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8280 HA :: 3.7890 HB1 :: 1.1730 HB2 :: 1.1730 HB3 :: 1.1730 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.1040 Ave N Shift Values>> N :: 123.23(3.54) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.15 G 0.01 C Shift Assignments>> C :: 180.4360 CA :: 59.3190 CB :: 31.9240 CG :: 24.9600 CD :: 29.3600 CE :: 42.0600 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 :: 8.2690 HA :: 4.1970 HB2 :: 2.0550 HB3 :: 2.0550 HG2 :: 1.5820 HG3 :: 1.6690 HD2 :: 1.8070 HD3 :: 1.8070 HE2 :: 3.0680 HE3 :: 3.0680 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 :: 118.2290 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.31 D 0.13 L 0.1 I 0.07 N 0.05 HN Overlap>> 1.I9 1.I9 C Shift Assignments>> C :: 177.2330 CA :: 57.0370 CB :: 39.6490 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 :: 8.4340 HA :: 4.4410 HB2 :: 2.9230 HB3 :: 2.7460 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.1040 Ave N Shift Values>> N :: 120.65(3.86) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.03 L 0.03 HN Overlap>> 1.L98 1.E93 1.L98 1.E93 C Shift Assignments>> C :: 177.5060 CA :: 52.2180 CB :: 20.3220 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9720 HA :: 4.3810 HB1 :: 1.4790 HB2 :: 1.4790 HB3 :: 1.4790 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.8380 Ave N Shift Values>> N :: 123.23(3.54) 1.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.6350 CA :: 46.6090 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0100 HA2 :: 3.9940 HA3 :: 3.9940 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.8120 Ave N Shift Values>> N :: 109.67(3.87) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 A 0.04 C Shift Assignments>> C :: 175.3870 CA :: 58.9470 CB :: 33.5130 CG1 :: 19.1500 CG2 :: 21.9200 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 :: 7.7080 HA :: 4.8350 HB :: 2.4790 HG11 :: 0.9240 HG12 :: 0.9240 HG13 :: 0.9240 HG21 :: 0.9120 HG22 :: 0.9120 HG23 :: 0.9120 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 :: 111.7860 Ave N Shift Values>> N :: 121.14(4.54) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.31 G 0.01 C Shift Assignments>> C :: 175.3710 CA :: 56.1310 CB :: 33.3380 CG :: 25.6100 CD :: 29.0600 CE :: 42.2700 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 :: 8.1540 HA :: 4.4820 HB2 :: 1.7450 HB3 :: 1.7450 HG2 :: 1.5860 HG3 :: 1.4110 HD2 :: 1.6490 HD3 :: 1.6490 HE2 :: 2.9720 HE3 :: 2.9720 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.2430 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.96 G 0.03 C Shift Assignments>> C :: 173.3570 CA :: 55.6350 CB :: 42.3360 CD1 :: 132.6100 CD2 :: 132.6100 CE1 :: 131.1300 CE2 :: 131.1300 CZ :: 129.9300 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 :: 7.9820 HA :: 6.0140 HB2 :: 2.9340 HB3 :: 2.9340 HD1 :: 7.1150 HD2 :: 7.1150 HE1 :: 7.3570 HE2 :: 7.3570 HZ :: 7.3540 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 :: 115.1770 Ave N Shift Values>> N :: 120.45(4.18) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 E 0.23 Q 0.08 HN Overlap>> 1.V84 1.D149 1.Q92 1.V84 1.D149 1.Q92 C Shift Assignments>> C :: 174.2360 CA :: 55.0150 CB :: 32.9840 CG :: 35.3300 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 :: 8.2470 HA :: 4.6530 HB2 :: 1.8640 HB3 :: 1.7500 HG2 :: 2.1070 HG3 :: 2.1070 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.5020 Ave N Shift Values>> N :: 120.67(3.48) 1.I111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.6920 CA :: 59.8560 CB :: 40.1090 CG1 :: 28.9300 CG2 :: 17.3200 CD1 :: 15.5500 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 :: 9.1630 HA :: 5.2360 HB :: 1.8730 HG12 :: 1.1200 HG13 :: 1.8400 HG21 :: 0.7820 HG22 :: 0.7820 HG23 :: 0.7820 HD11 :: 0.8300 HD12 :: 0.8300 HD13 :: 0.8300 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 :: 124.2770 Ave N Shift Values>> N :: 121.46(4.28) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 A 0.03 C Shift Assignments>> C :: 173.5020 CA :: 58.1150 CB :: 40.7020 CG1 :: 27.5500 CG2 :: 17.0300 CD1 :: 14.0500 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 :: 9.0100 HA :: 4.7660 HB :: 1.7330 HG12 :: 1.5360 HG13 :: 1.1850 HG21 :: 0.9020 HG22 :: 0.9020 HG23 :: 0.9020 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 :: 128.4420 Ave N Shift Values>> N :: 121.46(4.28) 1.P113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.8840 CA :: 62.6110 CB :: 32.2790 CG :: 27.6700 CD :: 51.4200 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 :: 4.7450 HB2 :: 2.2800 HB3 :: 2.1570 HG2 :: 2.2820 HG3 :: 1.8790 HD2 :: 3.8960 HD3 :: 3.8960 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.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3960 CA :: 55.8500 CB :: 65.5440 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8310 HA :: 5.0280 HB2 :: 3.8160 HB3 :: 3.5890 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.1160 Ave N Shift Values>> N :: 116.28(3.52) 1.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.8330 CA :: 60.4620 CB :: 72.9450 CG2 :: 22.1500 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 :: 9.0860 HA :: 4.8880 HB :: 4.7030 HG21 :: 1.3660 HG22 :: 1.3660 HG23 :: 1.3660 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.0030 Ave N Shift Values>> N :: 115.42(4.75) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.18 K 0.12 Q 0.07 M 0.03 C Shift Assignments>> C :: 178.2290 CA :: 58.6660 CB :: 29.4990 CG :: 36.2300 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 :: 8.9830 HA :: 4.2000 HB2 :: 2.1800 HB3 :: 1.9460 HG2 :: 2.3440 HG3 :: 2.3440 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 :: 122.1010 Ave N Shift Values>> N :: 120.67(3.48) 1.E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 E 0.43 K 0.05 Q 0.01 C Shift Assignments>> C :: 178.8160 CA :: 59.8980 CB :: 29.2270 CG :: 36.9700 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 :: 8.5560 HA :: 3.9780 HB2 :: 2.0650 HB3 :: 1.9140 HG2 :: 2.2980 HG3 :: 2.2980 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 :: 119.2550 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 0.31 Y 0.28 D 0.13 L 0.12 I 0.06 K 0.03 N 0.03 HN Overlap>> 1.D100 1.D100 C Shift Assignments>> C :: 176.8440 CA :: 57.2820 CB :: 40.1670 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 :: 7.7370 HA :: 4.4150 HB2 :: 2.8390 HB3 :: 2.8390 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 :: 120.5630 Ave N Shift Values>> N :: 120.65(3.86) 1.R119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.12 G 0.11 HN Overlap>> 1.A138 1.A138 C Shift Assignments>> C :: 177.4240 CA :: 60.2800 CB :: 29.9500 CG :: 27.8600 CD :: 43.0500 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 :: 8.5550 HA :: 3.6010 HB2 :: 1.8880 HB3 :: 1.7150 HG2 :: 1.4280 HG3 :: 1.0380 HD2 :: 2.4820 HD3 :: 2.8490 HE :: 7.8080 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.6250 NE :: 85.2270 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.Q120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.33 R 0.17 E 0.05 I 0.03 M 0.02 C Shift Assignments>> C :: 177.8380 CA :: 58.4720 CB :: 27.8730 CG :: 33.6460 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 :: 7.6480 HA :: 3.7420 HB2 :: 2.0820 HB3 :: 2.0380 HG2 :: 2.3630 HG3 :: 2.3630 HE21 :: 7.5620 HE22 :: 6.6550 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 :: 115.6180 NE2 :: 114.2400 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.4 G 0.02 C Shift Assignments>> C :: 178.2690 CA :: 59.4520 CB :: 32.4150 CG :: 26.0600 CD :: 29.4300 CE :: 42.4500 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 :: 7.2260 HA :: 3.8590 HB2 :: 1.6140 HB3 :: 1.5130 HG2 :: 1.4090 HG3 :: 1.6140 HD2 :: 1.8010 HD3 :: 1.8010 HE2 :: 3.0740 HE3 :: 3.0740 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 :: 119.1160 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 A 0.2 I 0.05 C Shift Assignments>> C :: 179.9570 CA :: 55.5550 CB :: 17.0130 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0550 HA :: 3.2220 HB1 :: 1.1530 HB2 :: 1.1530 HB3 :: 1.1530 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.6100 Ave N Shift Values>> N :: 123.23(3.54) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.04 C Shift Assignments>> C :: 181.6370 CA :: 58.0970 CB :: 41.8180 CG :: 26.5700 CD1 :: 25.5400 CD2 :: 23.5900 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 :: 8.2810 HA :: 3.9690 HB2 :: 1.7950 HB3 :: 1.3890 HG :: 1.7240 HD11 :: 0.6940 HD12 :: 0.6940 HD13 :: 0.6940 HD21 :: 0.7490 HD22 :: 0.7490 HD23 :: 0.7490 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 :: 119.5880 Ave N Shift Values>> N :: 121.86(3.9) 1.D124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 D 0.17 L 0.16 K 0.06 I 0.04 N 0.03 HN Overlap>> 1.D100 1.D100 C Shift Assignments>> C :: 177.0120 CA :: 56.8550 CB :: 40.4610 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 :: 7.8510 HA :: 4.3630 HB2 :: 2.7850 HB3 :: 2.6330 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 :: 120.5440 Ave N Shift Values>> N :: 120.65(3.86) 1.Q125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.35 R 0.14 M 0.1 E 0.01 C Shift Assignments>> C :: 174.2000 CA :: 54.0220 CB :: 28.6430 CG :: 32.9400 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 :: 7.3600 HA :: 4.4550 HB2 :: 2.3990 HB3 :: 1.6170 HG2 :: 2.2390 HG3 :: 2.4290 HE21 :: 7.3510 HE22 :: 6.6080 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 :: 115.5240 NE2 :: 111.0000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 E 0.15 Y 0.12 M 0.08 F 0.08 D 0.04 K 0.01 L 0.01 I 0.01 C Shift Assignments>> C :: 173.2580 CA :: 54.1080 CB :: 37.1210 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 :: 8.1590 HA :: 4.2950 HB2 :: 3.0640 HB3 :: 2.6130 HD21 :: 7.4440 HD22 :: 6.8060 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.3760 ND2 :: 111.3600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.32 A 0.17 HN Overlap>> 1.H166 1.H166 C Shift Assignments>> C :: 175.3210 CA :: 53.1810 CB :: 47.5280 CG :: 26.2900 CD1 :: 26.2900 CD2 :: 23.7200 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 :: 8.0790 HA :: 4.6960 HB2 :: 1.5600 HB3 :: 1.5030 HG :: 1.6520 HD11 :: 0.6580 HD12 :: 0.6580 HD13 :: 0.6580 HD21 :: 0.7430 HD22 :: 0.7430 HD23 :: 0.7430 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 :: 119.0170 Ave N Shift Values>> N :: 121.86(3.9) 1.S128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.9950 CA :: 56.6250 CB :: 64.6050 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.3970 HA :: 4.2900 HB2 :: 4.1630 HB3 :: 3.8870 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 :: 113.8070 Ave N Shift Values>> N :: 116.28(3.52) 1.M129 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.99 C Shift Assignments>> C :: 179.6170 CA :: 60.4880 CB :: 33.2520 CG :: 33.2520 CE :: 16.0700 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 :: 11.1340(S) HA :: 3.7120 HB2 :: 2.8440 HB3 :: 2.3000 HG2 :: 2.0290 HG3 :: 1.9800 HE1 :: 1.9210 HE2 :: 1.9210 HE3 :: 1.9210 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 :: 121.5250 Ave N Shift Values>> N :: 120.09(3.57) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 173.9020 CA :: 47.3250 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6530 HA2 :: 3.7520 HA3 :: 3.7520 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.5690 Ave N Shift Values>> N :: 109.67(3.87) 1.R131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.24 G 0.05 L 0.02 C Shift Assignments>> C :: 177.9950 CA :: 60.3440 CB :: 29.7800 CG :: 24.9900 CD :: 42.5900 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.8290 HA :: 3.7270 HB2 :: 1.7130 HB3 :: 1.5480 HG2 :: 1.3880 HG3 :: 1.3880 HD2 :: 3.3310 HD3 :: 3.3310 HE :: 6.5330 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.1100 NE :: 84.2100 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.Y132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.6300 CA :: 62.0480 CB :: 39.0640 CD1 :: 132.3400 CD2 :: 132.3400 CE1 :: 118.2800 CE2 :: 118.2800 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 :: 8.5780 HA :: 4.0400 HB2 :: 2.8980 HB3 :: 2.8980 HD1 :: 6.9500 HD2 :: 6.9500 HE1 :: 6.6430 HE2 :: 6.6430 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 :: 118.8150 Ave N Shift Values>> N :: 120.52(4.2) 1.A133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.37 I 0.02 HN Overlap>> 1.K20 1.K20 C Shift Assignments>> C :: 180.8390 CA :: 54.9360 CB :: 18.9800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9150 HA :: 3.9340 HB1 :: 1.5850 HB2 :: 1.5850 HB3 :: 1.5850 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.5760 Ave N Shift Values>> N :: 123.23(3.54) 1.I134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.8500 CA :: 64.4100 CB :: 36.9050 CG1 :: 28.6100 CG2 :: 17.5600 CD1 :: 13.5300 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 :: 7.7320 HA :: 3.5920 HB :: 1.8020 HG12 :: 1.2100 HG13 :: 1.5810 HG21 :: 0.7290 HG22 :: 0.7290 HG23 :: 0.7290 HD11 :: 0.6510 HD12 :: 0.6510 HD13 :: 0.6510 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 :: 117.7210 Ave N Shift Values>> N :: 121.46(4.28) 1.Y135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.K53 1.K53 C Shift Assignments>> C :: 175.5850 CA :: 61.4900 CB :: 37.6940 CD1 :: 132.6500 CD2 :: 132.6500 CE1 :: 118.0900 CE2 :: 118.0900 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 :: 8.0190 HA :: 3.9980 HB2 :: 3.1120 HB3 :: 2.8210 HD1 :: 6.6790 HD2 :: 6.6790 HE1 :: 6.7080 HE2 :: 6.7080 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 :: 121.9330 Ave N Shift Values>> N :: 120.52(4.2) 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.5640 CA :: 66.3270 CB :: 31.3970 CG1 :: 22.2300 CG2 :: 21.6370 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 :: 8.2490 HA :: 3.0740 HB :: 1.7490 HG11 :: 0.5230 HG12 :: 0.5230 HG13 :: 0.5230 HG21 :: 0.7030 HG22 :: 0.7030 HG23 :: 0.7030 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 :: 117.0460 Ave N Shift Values>> N :: 121.14(4.54) 1.K137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.18 G 0.01 C Shift Assignments>> C :: 177.4430 CA :: 58.6380 CB :: 32.1200 CG :: 24.8400 CD :: 29.4500 CE :: 42.3200 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 :: 7.5950 HA :: 4.0070 HB2 :: 1.8300 HB3 :: 1.8300 HG2 :: 1.4790 HG3 :: 1.3810 HD2 :: 1.6610 HD3 :: 1.6610 HE2 :: 2.9360 HE3 :: 2.9360 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 :: 120.7350 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.33 I 0.04 HN Overlap>> 1.R119 1.R119 C Shift Assignments>> C :: 179.1950 CA :: 55.4300 CB :: 18.0220 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5710 HA :: 3.7110 HB1 :: 1.3800 HB2 :: 1.3800 HB3 :: 1.3800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.5520 Ave N Shift Values>> N :: 123.23(3.54) 1.V139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 180.3600 CA :: 66.1690 CB :: 31.3840 CG1 :: 22.3570 CG2 :: 21.4190 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 :: 8.0410 HA :: 3.6320 HB :: 1.8570 HG11 :: 0.6000 HG12 :: 0.6000 HG13 :: 0.6000 HG21 :: 0.8080 HG22 :: 0.8080 HG23 :: 0.8080 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 :: 118.3330 Ave N Shift Values>> N :: 121.14(4.54) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.27 K 0.1 Q 0.04 M 0.02 C Shift Assignments>> C :: 178.2160 CA :: 59.2490 CB :: 29.3610 CG :: 36.4100 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 :: 7.9760 HA :: 3.9500 HB2 :: 2.2130 HB3 :: 2.1230 HG2 :: 2.3920 HG3 :: 2.3920 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 :: 121.5440 Ave N Shift Values>> N :: 120.67(3.48) 1.E141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 M 0.13 K 0.08 Q 0.06 I 0.04 HN Overlap>> 1.K19 1.K19 C Shift Assignments>> C :: 176.1570 CA :: 56.4740 CB :: 30.1900 CG :: 36.4800 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 :: 8.0390 HA :: 4.2930 HB2 :: 2.2200 HB3 :: 1.9010 HG2 :: 2.4660 HG3 :: 2.2990 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.9290 Ave N Shift Values>> N :: 120.67(3.48) 1.G142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 174.3090 CA :: 45.9810 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8140 HA2 :: 3.7710 HA3 :: 4.0640 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.2990 Ave N Shift Values>> N :: 109.67(3.87) 1.V143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.D56 1.S12 1.D56 1.S12 C Shift Assignments>> C :: 175.3560 CA :: 61.6260 CB :: 32.3750 CG1 :: 21.5800 CG2 :: 21.5800 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.2670 HA :: 3.7310 HB :: 1.7550 HG11 :: 0.7580 HG12 :: 0.7580 HG13 :: 0.7580 HG21 :: 0.7580 HG22 :: 0.7580 HG23 :: 0.7580 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 :: 121.6930 Ave N Shift Values>> N :: 121.14(4.54) 1.N144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 E 0.1 M 0.08 Y 0.07 F 0.05 D 0.04 K 0.01 C Shift Assignments>> C :: 172.8920 CA :: 53.1140 CB :: 36.9490 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 :: 8.7120 HA :: 4.5560 HB2 :: 2.8660 HB3 :: 2.7210 HD21 :: 7.5810 HD22 :: 6.8930 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.6900 ND2 :: 112.0200 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 G 0.33 R 0.06 C Shift Assignments>> C :: 174.0890 CA :: 54.2240 CB :: 44.1790 CG :: 26.4100 CD1 :: 26.4100 CD2 :: 25.2400 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 :: 7.6240 HA :: 4.6760 HB2 :: 1.6800 HB3 :: 1.1100 HG :: 0.8000 HD11 :: 0.8000 HD12 :: 0.8000 HD13 :: 0.8000 HD21 :: 0.8420 HD22 :: 0.8420 HD23 :: 0.8420 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 :: 128.0040 Ave N Shift Values>> N :: 121.86(3.9) 1.N146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.21 L 0.04 F 0.04 Y 0.03 C Shift Assignments>> C :: 174.8380 CA :: 51.5310 CB :: 39.2150 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 :: 8.9650 HA :: 5.0470 HB2 :: 3.2390 HB3 :: 2.8890 HD21 :: 7.4640 HD22 :: 6.8440 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.3950 ND2 :: 112.3400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.05 G 0.01 HN Overlap>> 1.A150 1.A150 C Shift Assignments>> C :: 177.6540 CA :: 58.2550 CB :: 42.1440 CG :: 27.3300 CD1 :: 24.7500 CD2 :: 24.0600 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 :: 8.3050 HA :: 3.4760 HB2 :: 1.4500 HB3 :: 1.4500 HG :: 1.2800 HD11 :: 0.5190 HD12 :: 0.5190 HD13 :: 0.5190 HD21 :: 0.5990 HD22 :: 0.5990 HD23 :: 0.5990 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.7270 Ave N Shift Values>> N :: 121.86(3.9) 1.E148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 E 0.42 K 0.06 Q 0.01 HN Overlap>> 1.Y63 1.Y63 C Shift Assignments>> C :: 178.5170 CA :: 59.6250 CB :: 28.7420 CG :: 36.7900 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 :: 7.9530 HA :: 3.8850 HB2 :: 1.9850 HB3 :: 1.9850 HG2 :: 2.2670 HG3 :: 2.2670 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 :: 116.9240 Ave N Shift Values>> N :: 120.67(3.48) 1.D149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 D 0.16 L 0.15 K 0.05 I 0.04 N 0.03 HN Overlap>> 1.V84 1.V84 1.Q92 1.E110 1.H168 1.Q92 1.E110 1.H168 C Shift Assignments>> C :: 177.6570 CA :: 56.9350 CB :: 40.3170 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 :: 8.2850 HA :: 4.4350 HB2 :: 2.4320 HB3 :: 2.4300 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 :: 120.5420 Ave N Shift Values>> N :: 120.65(3.86) 1.A150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.4 I 0.02 HN Overlap>> 1.L147 1.L147 C Shift Assignments>> C :: 177.5440 CA :: 54.5950 CB :: 17.4990 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3140 HA :: 3.8730 HB1 :: 1.3380 HB2 :: 1.3380 HB3 :: 1.3380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.7270 Ave N Shift Values>> N :: 123.23(3.54) 1.R151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 K 0.34 G 0.12 C Shift Assignments>> C :: 177.3390 CA :: 59.1150 CB :: 31.4220 CG :: 28.8600 CD :: 43.2800 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.6930 HA :: 3.8780 HB2 :: 1.8400 HB3 :: 1.8400 HG2 :: 1.6390 HG3 :: 1.7460 HD2 :: 3.4360 HD3 :: 3.4360 HE :: 6.9340 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 :: 115.2020 NE :: 83.3650 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.N152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 F 0.12 K 0.12 Y 0.09 N 0.08 R 0.01 C Shift Assignments>> C :: 176.9120 CA :: 54.8600 CB :: 41.0830 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 :: 8.0100 HA :: 4.7390 HB2 :: 2.9410 HB3 :: 2.7790 HD21 :: 7.6390 HD22 :: 7.0180 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.1610 ND2 :: 113.8080 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 A 0.15 R 0.06 G 0.01 HN Overlap>> 1.D38 1.D38 C Shift Assignments>> C :: 176.8520 CA :: 55.0290 CB :: 42.0880 CG :: 26.6600 CD1 :: 25.6300 CD2 :: 21.9500 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 :: 8.6600 HA :: 4.4260 HB2 :: 1.7950 HB3 :: 1.4410 HG :: 1.9220 HD11 :: 0.7200 HD12 :: 0.7200 HD13 :: 0.7200 HD21 :: 0.8600 HD22 :: 0.8600 HD23 :: 0.8600 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.7790 Ave N Shift Values>> N :: 121.86(3.9) 1.S154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3990 CA :: 57.9980 CB :: 63.9720 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.0510 HA :: 4.4030 HB2 :: 4.1460 HB3 :: 3.9820 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 :: 116.6980 Ave N Shift Values>> N :: 116.28(3.52) 1.V155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.0080 CA :: 67.0110 CB :: 31.9630 CG1 :: 23.3780 CG2 :: 22.7400 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 :: 7.7090 HA :: 3.3990 HB :: 2.0500 HG11 :: 0.7760 HG12 :: 0.7760 HG13 :: 0.7760 HG21 :: 1.0120 HG22 :: 1.0120 HG23 :: 1.0120 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 :: 120.9640 Ave N Shift Values>> N :: 121.14(4.54) 1.S156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.2250 CA :: 62.3230 CB :: 62.5400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7150 HA :: 3.9150 HB2 :: 3.8710 HB3 :: 3.8710 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 :: 113.2340 Ave N Shift Values>> N :: 116.28(3.52) 1.E157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 I 0.3 M 0.04 K 0.03 C Shift Assignments>> C :: 179.2490 CA :: 59.1700 CB :: 30.1340 CG :: 37.1800 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 :: 7.6580 HA :: 4.0500 HB2 :: 2.2550 HB3 :: 1.9450 HG2 :: 2.1590 HG3 :: 2.3130 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 :: 122.5040 Ave N Shift Values>> N :: 120.67(3.48) 1.I158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.9100 CA :: 66.1450 CB :: 37.1770 CG1 :: 27.8860 CG2 :: 18.9300 CD1 :: 14.0800 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 :: 8.3610 HA :: 3.7830 HB :: 1.7840 HG12 :: 1.5440 HG13 :: 1.3400 HG21 :: 0.8920 HG22 :: 0.8920 HG23 :: 0.8920 HD11 :: 0.8130 HD12 :: 0.8130 HD13 :: 0.8130 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 :: 117.6200 Ave N Shift Values>> N :: 121.46(4.28) 1.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.02 A 0.01 C Shift Assignments>> C :: 180.2940 CA :: 57.8350 CB :: 40.6990 CG :: 27.2400 CD1 :: 26.4400 CD2 :: 22.6110 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 :: 8.2600 HA :: 3.9880 HB2 :: 1.7220 HB3 :: 1.3940 HG :: 1.7540 HD11 :: 0.7320 HD12 :: 0.7320 HD13 :: 0.7320 HD21 :: 0.7560 HD22 :: 0.7560 HD23 :: 0.7560 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.0030 Ave N Shift Values>> N :: 121.86(3.9) 1.G160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 175.4170 CA :: 46.5020 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8140 HA2 :: 3.8690 HA3 :: 3.8690 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.1010 Ave N Shift Values>> N :: 109.67(3.87) 1.K161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.27 G 0.01 C Shift Assignments>> C :: 177.5430 CA :: 57.9360 CB :: 32.3890 CG :: 25.4100 CD :: 29.6100 CE :: 42.1300 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 :: 7.5740 HA :: 4.1350 HB2 :: 1.9930 HB3 :: 1.7100 HG2 :: 1.5780 HG3 :: 1.5780 HD2 :: 1.7150 HD3 :: 1.7150 HE2 :: 2.9990 HE3 :: 2.9900 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 :: 119.9610 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.06 A 0.03 C Shift Assignments>> C :: 177.2170 CA :: 55.7510 CB :: 41.8520 CG :: 27.1300 CD1 :: 25.3700 CD2 :: 22.9600 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 :: 7.2630 HA :: 4.1790 HB2 :: 1.7560 HB3 :: 1.6470 HG :: 1.7170 HD11 :: 0.8790 HD12 :: 0.8790 HD13 :: 0.8790 HD21 :: 0.7440 HD22 :: 0.7440 HD23 :: 0.7440 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.1550 Ave N Shift Values>> N :: 121.86(3.9) 1.E163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 K 0.14 Q 0.1 I 0.09 M 0.07 HN Overlap>> 1.E93 1.E93 C Shift Assignments>> C :: 176.9460 CA :: 57.7310 CB :: 29.7670 CG :: 36.1000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1370 HA :: 4.0510 HB2 :: 1.9250 HB3 :: 1.9250 HG2 :: 2.1170 HG3 :: 2.2320 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 :: 119.9040 Ave N Shift Values>> N :: 120.67(3.48) 1.H164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 174.7290 CA :: 56.6650 CB :: 29.4460 CD2 :: 119.8000 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.3120 HA :: 4.4830 HB2 :: 3.1310 HB3 :: 3.1310 HD2 :: 7.0570 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 :: 117.8040 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 E 0.19 R 0.19 Q 0.18 K 0.11 M 0.08 I 0.01 HN Overlap>> 1.D68 1.D68 C Shift Assignments>> C :: 174.5330 CA :: 56.6560 CB :: 30.1140 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.0060 HA :: 4.5070 HB2 :: 3.0760 HB3 :: 3.0760 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 :: 118.8450 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 Q 0.19 R 0.17 E 0.17 K 0.14 M 0.07 I 0.01 HN Overlap>> 1.L127 1.L127 C Shift Assignments>> C :: 174.2460 CA :: 55.9350 CB :: 29.7850 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.1800 HA :: 4.5510 HB2 :: 3.0590 HB3 :: 3.0590 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 :: 118.9840 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 R 0.19 Q 0.18 E 0.17 K 0.11 M 0.09 C Shift Assignments>> C :: 174.0570 CA :: 55.8490 CB :: 30.0560 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.3180 HA :: 4.5820 HB2 :: 3.0430 HB3 :: 3.0430 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.7230 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 Q 0.19 R 0.18 E 0.17 K 0.14 M 0.07 I 0.01 HN Overlap>> 1.D149 1.D149 C Shift Assignments>> C :: 173.3760 CA :: 55.8520 CB :: 29.8060 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.3610 HA :: 4.5850 HB2 :: 3.0930 HB3 :: 3.0930 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 :: 120.5060 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.2 H 0.19 R 0.18 Q 0.17 K 0.12 M 0.07 I 0.02 V 0.01 C Shift Assignments>> C :: 178.6030 CA :: 57.2770 CB :: 30.0240 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.1160 HA :: 4.4140 HB2 :: 3.1700 HB3 :: 3.0590 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 :: 125.3120 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 163 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 169 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 169 #Suspicious: 0 C Shift Results: #Consistent: 741 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1201 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 180 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D6 HA = 6.1260(S), Expected = 4.59, Std = 0.3200, ChiSquare = 1.5867e-06 1.P11 HD2 = 2.4630(S), Expected = 3.65, Std = 0.3500, ChiSquare = 6.9529e-04 1.G14 HA3 = 5.6020(S), Expected = 3.90, Std = 0.3700, ChiSquare = 4.2249e-06 1.A75 HA = 5.8620(S), Expected = 4.26, Std = 0.4400, ChiSquare = 2.7168e-04 1.L98 HB3 = 0.2140(S), Expected = 1.52, Std = 0.3600, ChiSquare = 2.8587e-04 1.M129 H = 11.1340(S), Expected = 8.26, Std = 0.6000, ChiSquare = 1.6678e-06