Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.71 C 0.28 C Shift Assignments>> CA :: 58.7200 CB :: 40.6500 CD1 :: 133.0900 CD2 :: 133.0900 CE1 :: 118.2200 CE2 :: 118.2200 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 :: 4.7830 HB2 :: 2.7160 HB3 :: 2.9670 HD1 :: 6.9280 HD2 :: 6.9280 HE1 :: 6.6890 HE2 :: 6.6890 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.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 169.3060 CA :: 45.3480 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.3730 HA2 :: 3.8270 HA3 :: 3.6600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.8830 Ave N Shift Values>> N :: 109.67(3.87) 1.Y4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.26 G 0.01 C Shift Assignments>> C :: 174.5860 CA :: 56.4360 CB :: 42.1020 CD1 :: 133.5700 CD2 :: 133.5700 CE1 :: 117.3000 CE2 :: 117.3000 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 :: 8.9100 HA :: 5.2720 HB2 :: 2.8610 HB3 :: 2.5470 HD1 :: 6.7250 HD2 :: 6.7250 HE1 :: 6.5430 HE2 :: 6.5540 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 :: 118.0540 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>> C 0.8 I 0.1 A 0.09 C Shift Assignments>> C :: 174.5890 CA :: 56.7370 CB :: 38.5260 CG1 :: 26.7370 CG2 :: 16.3890 CD1 :: 9.4220 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 :: 5.2050 HB :: 1.9630 HG12 :: 1.2210 HG13 :: 1.5180 HG21 :: 0.6970 HG22 :: 0.6970 HG23 :: 0.6970 HD11 :: 0.7510 HD12 :: 0.7510 HD13 :: 0.7510 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 :: 122.2730 Ave N Shift Values>> N :: 121.46(4.28) 1.C6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 C 0.15 R 0.14 E 0.11 H 0.11 I 0.06 L 0.06 M 0.01 C Shift Assignments>> C :: 172.9240 CA :: 57.5080 CB :: 28.2060 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.7480 HA :: 5.2300 HB2 :: 3.3920 HB3 :: 2.7720 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 128.4540 Ave N Shift Values>> N :: 120.17(4.64) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 173.5270 CA :: 60.7380 CB :: 33.6700 CG1 :: 21.2970 CG2 :: 21.8500 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 :: 9.1460 HA :: 4.7240 HB :: 2.0390 HG11 :: 0.7980 HG12 :: 0.7980 HG13 :: 0.7980 HG21 :: 0.8700 HG22 :: 0.8700 HG23 :: 0.8700 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.4080 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>> L 0.33 G 0.29 R 0.18 D 0.08 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.2430 CA :: 54.1740 CB :: 44.2400 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 :: 8.9980 HA :: 5.3130 HB2 :: 2.6350 HB3 :: 2.4100 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 :: 126.7490 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 0.64 C 0.35 C Shift Assignments>> C :: 175.7960 CA :: 61.2300 CB :: 39.8150 CG1 :: 28.4800 CG2 :: 17.2500 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 :: 8.7540 HA :: 4.2530 HB :: 1.7140 HG12 :: 0.9170 HG13 :: 1.7630 HG21 :: 0.9280 HG22 :: 0.9280 HG23 :: 0.9280 HD11 :: 0.6750 HD12 :: 0.6750 HD13 :: 0.6750 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 :: 122.6180 Ave N Shift Values>> N :: 121.46(4.28) 1.N10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.2 L 0.18 F 0.06 C 0.05 K 0.05 Y 0.05 C Shift Assignments>> C :: 181.4730(S) CA :: 53.0420 CB :: 40.9230 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.0630 HA :: 5.1180 HB2 :: 3.5810 HB3 :: 2.3540 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 :: 124.7660 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.P1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.56 P 0.43 C Shift Assignments>> C :: 174.1250 CA :: 62.3800 CB :: 34.0300 CG :: 27.8090 CD :: 49.7900 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 :: 4.0830 HB2 :: 1.5260 HB3 :: 1.7050 HG2 :: 1.6620 HG3 :: 1.4510 HD2 :: 3.2750 HD3 :: 2.9710 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) 2.S2 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.H148 2.H148 C Shift Assignments>> C :: 174.5590 CA :: 57.4990 CB :: 64.9960 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9750 HA :: 5.8530(S) HB2 :: 3.5620 HB3 :: 3.7050 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 :: 117.3720 Ave N Shift Values>> N :: 116.28(3.52) 2.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.3 C Shift Assignments>> C :: 171.8260 CA :: 61.2320 CB :: 36.8700 CG1 :: 21.7600 CG2 :: 21.7600 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 :: 8.9250 HA :: 4.4590 HB :: 1.7550 HG11 :: 0.7300 HG12 :: 0.7300 HG13 :: 0.7300 HG21 :: 0.7300 HG22 :: 0.7300 HG23 :: 0.7300 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.4290 Ave N Shift Values>> N :: 121.14(4.54) 2.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 K 0.03 M 0.02 C Shift Assignments>> C :: 173.2880 CA :: 55.2880 CB :: 33.5740 CG :: 39.5200 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 :: 8.7390 HA :: 5.1970 HB2 :: 2.2260 HB3 :: 1.9130 HG2 :: 2.0190 HG3 :: 2.0190 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 :: 127.2560 Ave N Shift Values>> N :: 120.67(3.48) 2.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.2 R 0.15 G 0.06 C Shift Assignments>> C :: 175.1530 CA :: 52.7240 CB :: 42.8000 CG :: 27.1200 CD1 :: 25.3700 CD2 :: 26.7000 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 :: 9.8120 HA :: 5.1540 HB2 :: 1.3100 HB3 :: 1.9700 HG :: 1.7020 HD11 :: 0.8750 HD12 :: 0.8750 HD13 :: 0.8750 HD21 :: 0.7710 HD22 :: 0.7710 HD23 :: 0.7710 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.6130 Ave N Shift Values>> N :: 121.86(3.9) 2.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 176.7580 CA :: 61.9600 CB :: 32.5880 CG1 :: 21.6660 CG2 :: 20.6120 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 :: 8.5910 HA :: 4.5280 HB :: 1.9660 HG11 :: 0.9240 HG12 :: 0.9240 HG13 :: 0.9240 HG21 :: 1.0170 HG22 :: 1.0170 HG23 :: 1.0170 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.0570 Ave N Shift Values>> N :: 121.14(4.54) 2.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 I 0.23 G 0.06 A 0.01 C Shift Assignments>> C :: 175.9510 CA :: 58.5890 CB :: 42.6690 CG1 :: 25.5200 CG2 :: 17.2200 CD1 :: 14.8200 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 :: 8.5680 HA :: 5.7250 HB :: 1.8690 HG12 :: 1.5620 HG13 :: 1.5620 HG21 :: 0.6660 HG22 :: 0.6660 HG23 :: 0.6660 HD11 :: 0.8760 HD12 :: 0.8760 HD13 :: 0.8760 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 :: 119.5790 Ave N Shift Values>> N :: 121.46(4.28) 2.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.34 L 0.26 N 0.09 K 0.09 R 0.07 C 0.05 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 177.5060 CA :: 52.1940 CB :: 42.1350 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> HA :: 4.8430 HB2 :: 3.3470 HB3 :: 2.7330 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) 2.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.3 I 0.24 K 0.05 Q 0.01 C Shift Assignments>> C :: 177.2910 CA :: 59.1270 CB :: 28.7070 CG :: 36.6300 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.1890 HA :: 3.3060 HB2 :: 1.8590 HB3 :: 1.8340 HG2 :: 2.1340 HG3 :: 2.2820 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 :: 117.3850 Ave N Shift Values>> N :: 120.67(3.48) 2.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 173.6130 CA :: 60.9280 CB :: 68.6710 CG2 :: 22.3130 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1950 HA :: 4.4520 HB :: 4.4190 HG21 :: 1.1320 HG22 :: 1.1320 HG23 :: 1.1320 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 :: 111.3230 Ave N Shift Values>> N :: 115.42(4.75) 2.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 I 0.24 V 0.15 K 0.12 P 0.04 T 0.03 L 0.02 R 0.01 C Shift Assignments>> C :: 172.5910 CA :: 61.7370 CB :: 24.5450 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.4960 HA :: 3.7690 HB2 :: 3.6140 HB3 :: 3.0740 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 112.7000 Ave N Shift Values>> N :: 120.17(4.64) 2.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.35 K 0.1 G 0.09 C Shift Assignments>> C :: 176.8820 CA :: 55.3310 CB :: 31.8830 CG :: 27.9900 CD :: 43.5900 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 :: 8.1400 HA :: 4.6730 HB2 :: 1.3340 HB3 :: 1.3340 HG2 :: 1.2600 HG3 :: 1.5710 HD2 :: 3.0900 HD3 :: 3.0900 HE :: 7.2400 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.2530 NE :: 85.4400 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.9150 CA :: 64.4030 CB :: 31.9790 CG1 :: 23.3900 CG2 :: 23.3900 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 :: 8.3410 HA :: 4.0360 HB :: 2.3910 HG11 :: 0.8610 HG12 :: 0.8610 HG13 :: 0.8610 HG21 :: 0.9640 HG22 :: 0.9640 HG23 :: 0.9640 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 :: 120.3150 Ave N Shift Values>> N :: 121.14(4.54) 2.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 G 0.32 C 0.22 A 0.05 R 0.02 C Shift Assignments>> C :: 177.2210 CA :: 55.3530 CB :: 44.6660 CG :: 26.6800 CD1 :: 25.5600 CD2 :: 22.4000 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 :: 9.5470 HA :: 4.5140 HB2 :: 1.4940 HB3 :: 1.6320 HG :: 1.6920 HD11 :: 0.8960 HD12 :: 0.8960 HD13 :: 0.8960 HD21 :: 0.8960 HD22 :: 0.8960 HD23 :: 0.8960 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 :: 128.5670 Ave N Shift Values>> N :: 121.86(3.9) 2.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 M 0.14 E 0.1 HN Overlap>> 2.R100 2.R100 C Shift Assignments>> C :: 173.5230 CA :: 55.8370 CB :: 34.0700 CG :: 36.5900 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 :: 7.4710 HA :: 4.4840 HB2 :: 1.9180 HB3 :: 1.8760 HG2 :: 2.2430 HG3 :: 2.1680 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 :: 115.6060 Ave N Shift Values>> N :: 120.67(3.48) 2.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 174.6280 CA :: 61.3340 CB :: 33.5790 CG1 :: 21.8000 CG2 :: 21.8000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.8960 HA :: 4.5390 HB :: 1.9930 HG11 :: 0.8110 HG12 :: 0.8110 HG13 :: 0.8110 HG21 :: 0.8110 HG22 :: 0.8110 HG23 :: 0.8110 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.2680 Ave N Shift Values>> N :: 121.14(4.54) 2.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.27 G 0.22 K 0.03 C Shift Assignments>> C :: 174.5560 CA :: 52.6170 CB :: 32.0250 CG :: 26.7100 CD :: 43.6000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.4660 HA :: 5.1330 HB2 :: 1.8460 HB3 :: 1.8460 HG2 :: 1.5700 HG3 :: 1.4050 HD2 :: 3.2500 HD3 :: 3.1400 HE :: 7.3500 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 :: 126.5990 NE :: 84.3600 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.5000 CA :: 63.3930 CB :: 31.4100 CG :: 27.8090 CD :: 50.8500 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 :: 4.5910 HB2 :: 2.1250 HB3 :: 1.9740 HG2 :: 2.3900 HG3 :: 2.0520 HD2 :: 4.1260 HD3 :: 3.6270 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) 2.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.23 E 0.21 K 0.15 M 0.13 C Shift Assignments>> C :: 174.4930 CA :: 55.4380 CB :: 30.0720 CG :: 34.8570 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 :: 8.6160 HA :: 4.4180 HB2 :: 2.2320 HB3 :: 1.6030 HG2 :: 2.1290 HG3 :: 2.2460 HE21 :: 6.9190 HE22 :: 6.7770 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 :: 120.0820 NE2 :: 112.3500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.21 C 0.07 L 0.04 F 0.03 Y 0.03 C Shift Assignments>> C :: 175.2620 CA :: 51.2500 CB :: 39.3850 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 :: 7.8980 HA :: 4.7000 HB2 :: 3.4490 HB3 :: 3.3770 HD21 :: 7.7360 HD22 :: 7.1050 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 :: 114.0710 ND2 :: 114.0200 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.4 R 0.15 C Shift Assignments>> C :: 179.2620 CA :: 59.5970 CB :: 31.7740 CG :: 24.7600 CD :: 28.7600 CE :: 42.1990 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 :: 8.8070 HA :: 4.1380 HB2 :: 1.9230 HB3 :: 1.9230 HG2 :: 1.5840 HG3 :: 1.5460 HD2 :: 1.7390 HD3 :: 1.7390 HE2 :: 3.0220 HE3 :: 3.0220 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 :: 121.7890 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.27 C 0.14 D 0.09 L 0.07 I 0.07 N 0.04 C Shift Assignments>> C :: 178.7610 CA :: 57.1980 CB :: 39.5020 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 :: 8.7590 HA :: 4.5170 HB2 :: 2.4160 HB3 :: 2.2210 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 :: 119.3550 Ave N Shift Values>> N :: 120.65(3.86) 2.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 174.2550 CA :: 47.4250 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3770 HA2 :: 3.8360 HA3 :: 3.4370 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.7460 Ave N Shift Values>> N :: 109.67(3.87) 2.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.3 I 0.23 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> C :: 178.9150 CA :: 59.8890 CB :: 29.5150 CG :: 36.6300 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 :: 8.0890 HA :: 3.7760 HB2 :: 2.3190 HB3 :: 2.2370 HG2 :: 2.3900 HG3 :: 2.1990 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 :: 121.7360 Ave N Shift Values>> N :: 120.67(3.48) 2.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.25 K 0.25 E 0.09 R 0.03 I 0.02 M 0.01 C Shift Assignments>> C :: 178.9130 CA :: 58.5940 CB :: 28.7930 CG :: 34.1100 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 :: 8.0130 HA :: 4.1000 HB2 :: 2.3660 HB3 :: 2.3220 HG2 :: 2.6210 HG3 :: 2.4630 HE21 :: 7.3820 HE22 :: 6.9010 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.4730 NE2 :: 111.7000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.4 R 0.09 G 0.01 C Shift Assignments>> C :: 177.2260 CA :: 58.0440 CB :: 42.1440 CG :: 26.7900 CD1 :: 26.3600 CD2 :: 23.1000 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 :: 8.1860 HA :: 3.8140 HB2 :: 1.8770 HB3 :: 1.1540 HG :: 1.3910 HD11 :: 0.6540 HD12 :: 0.6540 HD13 :: 0.6540 HD21 :: 0.7480 HD22 :: 0.7480 HD23 :: 0.7480 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 :: 119.5160 Ave N Shift Values>> N :: 121.86(3.9) 2.I27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 176.9720 CA :: 61.7760 CB :: 37.8970 CG1 :: 25.6000 CG2 :: 18.5900 CD1 :: 15.0200 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 :: 7.0340 HA :: 4.1990 HB :: 2.2030 HG12 :: 1.5110 HG13 :: 1.3830 HG21 :: 0.8160 HG22 :: 0.8160 HG23 :: 0.8160 HD11 :: 0.8210 HD12 :: 0.8210 HD13 :: 0.8210 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 :: 104.6110(S) Ave N Shift Values>> N :: 121.46(4.28) 2.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.1560 CA :: 60.1800 CB :: 62.9810 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.2450 HA :: 4.1940 HB2 :: 4.0170 HB3 :: 4.0170 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 :: 117.9790 Ave N Shift Values>> N :: 116.28(3.52) 2.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.2460 CA :: 45.7750 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0040 HA2 :: 4.2130 HA3 :: 3.8240 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.0870 Ave N Shift Values>> N :: 109.67(3.87) 2.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.23 A 0.18 R 0.11 G 0.08 C Shift Assignments>> C :: 176.8190 CA :: 53.9190 CB :: 43.0600 CG :: 26.5800 CD1 :: 22.2200 CD2 :: 26.3000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.6390 HA :: 4.5610 HB2 :: 1.6870 HB3 :: 1.3310 HG :: 1.4940 HD11 :: 0.7990 HD12 :: 0.7990 HD13 :: 0.7990 HD21 :: 0.8590 HD22 :: 0.8590 HD23 :: 0.8590 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 :: 119.1270 Ave N Shift Values>> N :: 121.86(3.9) 2.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.29 K 0.13 Q 0.09 M 0.03 I 0.02 C Shift Assignments>> C :: 175.4370 CA :: 55.4740 CB :: 29.3030 CG :: 36.0800 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 :: 8.9060 HA :: 4.5740 HB2 :: 2.0390 HB3 :: 1.9310 HG2 :: 2.2550 HG3 :: 2.1610 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 :: 124.6550 Ave N Shift Values>> N :: 120.67(3.48) 2.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.21 G 0.18 A 0.06 R 0.04 C Shift Assignments>> C :: 175.8190 CA :: 54.8880 CB :: 43.9680 CG :: 26.2700 CD1 :: 25.9600 CD2 :: 22.6000 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 :: 8.6940 HA :: 4.3770 HB2 :: 1.6850 HB3 :: 1.4780 HG :: 1.5540 HD11 :: 0.8940 HD12 :: 0.8940 HD13 :: 0.8940 HD21 :: 0.8560 HD22 :: 0.8560 HD23 :: 0.8560 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.8550 Ave N Shift Values>> N :: 121.86(3.9) 2.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.35 A 0.01 HN Overlap>> 2.D149 2.D149 C Shift Assignments>> C :: 178.2380 CA :: 56.1800 CB :: 41.0240 CG :: 27.1600 CD1 :: 25.0500 CD2 :: 23.0700 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 :: 7.6040 HA :: 3.8730 HB2 :: 1.7550 HB3 :: 1.4230 HG :: 1.7790 HD11 :: 0.9640 HD12 :: 0.9640 HD13 :: 0.9640 HD21 :: 0.7610 HD22 :: 0.7610 HD23 :: 0.7610 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 :: 115.9080 Ave N Shift Values>> N :: 121.86(3.9) 2.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.22 D 0.17 L 0.12 C 0.11 N 0.06 I 0.03 K 0.02 C Shift Assignments>> C :: 175.0280 CA :: 56.4590 CB :: 40.0300 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 :: 9.3430 HA :: 4.1670 HB2 :: 2.9430 HB3 :: 2.8190 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 :: 115.5810 Ave N Shift Values>> N :: 120.65(3.86) 2.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.32 R 0.3 G 0.01 C Shift Assignments>> C :: 176.2040 CA :: 55.3230 CB :: 34.6870 CG :: 25.8740 CD :: 29.2900 CE :: 42.5000 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 :: 7.1850 HA :: 4.4070 HB2 :: 1.8090 HB3 :: 1.7140 HG2 :: 1.3880 HG3 :: 1.2900 HD2 :: 1.6280 HD3 :: 1.6280 HE2 :: 2.9790 HE3 :: 2.9790 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 :: 117.6590 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 D 0.24 F 0.12 Y 0.12 C 0.09 L 0.09 C Shift Assignments>> C :: 178.1300 CA :: 54.4100 CB :: 39.4130 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.0200 HA :: 4.6240 HB2 :: 2.9200 HB3 :: 2.8620 HD21 :: 7.9230 HD22 :: 7.1810 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 :: 120.2490 ND2 :: 113.8300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 174.8370 CA :: 65.5100 CB :: 31.4530 CG1 :: 20.6300 CG2 :: 23.1000 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 :: 9.0260 HA :: 3.7180 HB :: 2.0920 HG11 :: 1.0870 HG12 :: 1.0870 HG13 :: 1.0870 HG21 :: 0.8870 HG22 :: 0.8870 HG23 :: 0.8870 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.1200 Ave N Shift Values>> N :: 121.14(4.54) 2.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.33 E 0.22 K 0.03 Q 0.01 C Shift Assignments>> C :: 177.7210 CA :: 60.6920 CB :: 29.2150 CG :: 36.5700 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.3630 HA :: 3.8540 HB2 :: 1.9960 HB3 :: 1.9960 HG2 :: 2.2340 HG3 :: 2.1710 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 :: 122.7080 Ave N Shift Values>> N :: 120.67(3.48) 2.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.12 D 0.11 C 0.11 K 0.06 I 0.05 N 0.02 C Shift Assignments>> C :: 178.8760 CA :: 57.3160 CB :: 40.4910 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 :: 7.0450 HA :: 4.4490 HB2 :: 2.9100 HB3 :: 2.9100 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 :: 118.0010 Ave N Shift Values>> N :: 120.65(3.86) 2.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 177.3280 CA :: 67.1140 CB :: 31.5550 CG1 :: 23.1300 CG2 :: 25.2900 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 :: 7.9910 HA :: 3.6430 HB :: 2.0970 HG11 :: 0.9760 HG12 :: 0.9760 HG13 :: 0.9760 HG21 :: 1.1360 HG22 :: 1.1360 HG23 :: 1.1360 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 :: 120.9440 Ave N Shift Values>> N :: 121.14(4.54) 2.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 176.9190 CA :: 68.5530 CB :: 31.0460 CG1 :: 22.3200 CG2 :: 23.8300 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 :: 8.6150 HA :: 3.3410 HB :: 2.0600 HG11 :: 0.8440 HG12 :: 0.8440 HG13 :: 0.8440 HG21 :: 0.9650 HG22 :: 0.9650 HG23 :: 0.9650 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 :: 119.2300 Ave N Shift Values>> N :: 121.14(4.54) 2.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 176.7310 CA :: 62.8890 CB :: 38.6290 CD1 :: 133.5300 CD2 :: 133.5300 CE1 :: 118.4800 CE2 :: 118.4800 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.6740 HA :: 3.8240 HB2 :: 3.3460 HB3 :: 2.9440 HD1 :: 7.0330 HD2 :: 7.0330 HE1 :: 6.8300 HE2 :: 6.8300 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 :: 118.5870 Ave N Shift Values>> N :: 120.52(4.2) 2.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.33 I 0.17 K 0.06 Q 0.03 M 0.01 C Shift Assignments>> C :: 179.7790 CA :: 59.6790 CB :: 29.4740 CG :: 36.2290 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 :: 8.3520 HA :: 4.0820 HB2 :: 2.2300 HB3 :: 2.1230 HG2 :: 2.4170 HG3 :: 2.3080 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 :: 119.5340 Ave N Shift Values>> N :: 120.67(3.48) 2.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.38 R 0.03 C Shift Assignments>> C :: 179.5650 CA :: 58.0860 CB :: 41.5940 CG :: 26.0600 CD1 :: 22.9500 CD2 :: 26.3900 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 :: 8.6890 HA :: 3.8620 HB2 :: 2.0710 HB3 :: 1.1150 HG :: 2.0790 HD11 :: 0.6730 HD12 :: 0.6730 HD13 :: 0.6730 HD21 :: 0.6790 HD22 :: 0.6790 HD23 :: 0.6790 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 :: 118.2060 Ave N Shift Values>> N :: 121.86(3.9) 2.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 178.2510 CA :: 65.5870 CB :: 37.3850 CG1 :: 28.7300 CG2 :: 18.2600 CD1 :: 15.5000 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 :: 8.2320 HA :: 3.5430 HB :: 1.6890 HG12 :: 1.8210 HG13 :: 0.8860 HG21 :: 0.7790 HG22 :: 0.7790 HG23 :: 0.7790 HD11 :: 0.7580 HD12 :: 0.7580 HD13 :: 0.7580 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 :: 119.9900 Ave N Shift Values>> N :: 121.46(4.28) 2.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.22 C 0.19 I 0.07 E 0.06 N 0.05 D 0.05 L 0.02 M 0.01 HN Overlap>> 2.I156 2.Q136 2.I156 2.Q136 C Shift Assignments>> C :: 178.4330 CA :: 57.0320 CB :: 38.3200 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 :: 8.2190 HA :: 4.3510 HB2 :: 2.4490 HB3 :: 2.6020 HD21 :: 6.9670 HD22 :: 5.5550 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 :: 118.8460 ND2 :: 111.0400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.4 G 0.1 K 0.03 HN Overlap>> 2.K95 2.K95 C Shift Assignments>> C :: 178.1060 CA :: 58.7240 CB :: 29.9150 CG :: 27.9000 CD :: 43.6640 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 :: 8.6930 HA :: 4.1910 HB2 :: 1.7550 HB3 :: 1.9660 HG2 :: 1.6770 HG3 :: 1.5490 HD2 :: 3.0900 HD3 :: 3.0600 HE :: 7.4870 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 :: 120.3400 NE :: 84.1400 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.8750 CA :: 63.3220 CB :: 62.9810 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0790 HA :: 4.1440 HB2 :: 3.8810 HB3 :: 3.8110 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 :: 116.4030 Ave N Shift Values>> N :: 116.28(3.52) 2.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 179.5940 CA :: 64.4030 CB :: 38.4310 CG1 :: 28.9000 CG2 :: 17.2300 CD1 :: 13.8800 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 :: 7.5900 HA :: 4.0930 HB :: 2.0090 HG12 :: 1.7260 HG13 :: 0.8780 HG21 :: 0.9300 HG22 :: 0.9300 HG23 :: 0.9300 HD11 :: 0.8200 HD12 :: 0.8200 HD13 :: 0.8200 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 :: 122.6130 Ave N Shift Values>> N :: 121.46(4.28) 2.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.3190 CA :: 61.7840 CB :: 62.9940 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3230 HA :: 4.2480 HB2 :: 3.9690 HB3 :: 3.8830 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 :: 117.6080 Ave N Shift Values>> N :: 116.28(3.52) 2.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.29 C 0.26 HN Overlap>> 2.Y129 2.Y129 C Shift Assignments>> C :: 176.6070 CA :: 58.0250 CB :: 38.9600 CD1 :: 130.8700 CD2 :: 130.8700 CE1 :: 131.4300 CE2 :: 131.4300 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.4580 HA :: 4.5690 HB2 :: 3.0750 HB3 :: 3.0750 HD1 :: 7.2740 HD2 :: 7.2740 HE1 :: 7.3880 HE2 :: 7.3880 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 :: 117.5880 Ave N Shift Values>> N :: 120.45(4.18) 2.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 175.0180 CA :: 46.3680 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6800 HA2 :: 4.0370 HA3 :: 3.8790 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.2900 Ave N Shift Values>> N :: 109.67(3.87) 2.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.34 C 0.21 C Shift Assignments>> C :: 176.5440 CA :: 60.1620 CB :: 39.3620 CD1 :: 131.1300 CD2 :: 131.1300 CE1 :: 131.8000 CE2 :: 131.8000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.2170 HA :: 4.5040 HB2 :: 3.1900 HB3 :: 2.9710 HD1 :: 7.3330 HD2 :: 7.3330 HE1 :: 7.3080 HE2 :: 7.3080 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.3850 Ave N Shift Values>> N :: 120.45(4.18) 2.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 175.0330 CA :: 60.7040 CB :: 33.4220 CG1 :: 20.6600 CG2 :: 21.7900 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.3960 HA :: 4.2800 HB :: 1.9280 HG11 :: 0.7610 HG12 :: 0.7610 HG13 :: 0.7610 HG21 :: 0.8850 HG22 :: 0.8850 HG23 :: 0.8850 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.0010 Ave N Shift Values>> N :: 121.14(4.54) 2.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.38 R 0.11 C Shift Assignments>> C :: 177.4910 CA :: 56.0740 CB :: 33.1090 CG :: 24.9000 CD :: 29.1000 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 :: 8.7050 HA :: 4.3290 HB2 :: 1.9220 HB3 :: 1.7770 HG2 :: 1.4830 HG3 :: 1.4470 HD2 :: 1.7090 HD3 :: 1.7090 HE2 :: 3.0280 HE3 :: 3.0280 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.9870 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.32 C 0.02 I 0.01 HN Overlap>> 2.V63 2.V63 C Shift Assignments>> C :: 178.1370 CA :: 54.3290 CB :: 18.7130 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6490 HA :: 4.1070 HB1 :: 1.4060 HB2 :: 1.4060 HB3 :: 1.4060 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.8180 Ave N Shift Values>> N :: 123.23(3.54) 2.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.27 L 0.13 F 0.09 Y 0.08 C 0.06 K 0.01 C Shift Assignments>> C :: 175.7740 CA :: 53.7760 CB :: 40.1350 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 :: 8.2230 HA :: 4.5140 HB2 :: 2.7600 HB3 :: 2.6590 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 :: 115.4770 Ave N Shift Values>> N :: 120.65(3.86) 2.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 N 0.1 F 0.1 K 0.1 Y 0.07 C 0.05 R 0.01 HN Overlap>> 2.E115 2.E115 C Shift Assignments>> C :: 176.5430 CA :: 54.3840 CB :: 41.0760 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 :: 7.6330 HA :: 4.5190 HB2 :: 2.8840 HB3 :: 2.6340 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 :: 119.3350 Ave N Shift Values>> N :: 120.65(3.86) 2.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.13 C 0.12 Y 0.1 F 0.09 L 0.03 E 0.01 M 0.01 HN Overlap>> 2.I144 2.I144 C Shift Assignments>> C :: 175.5980 CA :: 53.8710 CB :: 38.4200 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 :: 8.5870 HA :: 4.6880 HB2 :: 2.8690 HB3 :: 2.8690 HD21 :: 7.5930 HD22 :: 6.8970 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.8900 ND2 :: 112.7400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 C 0.34 G 0.09 K 0.02 HN Overlap>> 2.E75 2.D99 2.E75 2.D99 C Shift Assignments>> C :: 176.3630 CA :: 55.3950 CB :: 30.3710 CG :: 27.1100 CD :: 43.5300 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 :: 8.5220 HA :: 4.4600 HB2 :: 1.7870 HB3 :: 1.9110 HG2 :: 1.6210 HG3 :: 1.5430 HD2 :: 3.1680 HD3 :: 3.1680 HE :: 7.3880 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 :: 120.5580 NE :: 85.0800 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.41 R 0.13 G 0.01 C Shift Assignments>> C :: 175.1750 CA :: 57.0260 CB :: 33.0230 CG :: 24.9200 CD :: 29.5000 CE :: 42.3400 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 :: 7.9290 HA :: 4.4120 HB2 :: 2.0090 HB3 :: 1.6990 HG2 :: 1.6070 HG3 :: 1.6070 HD2 :: 1.6230 HD3 :: 1.6230 HE2 :: 3.0270 HE3 :: 3.0270 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 :: 122.2890 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.48 C Shift Assignments>> C :: 173.0940 CA :: 58.8630 CB :: 40.4870 CG1 :: 28.4000 CG2 :: 16.9600 CD1 :: 13.8100 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 :: 7.3490 HA :: 5.0120 HB :: 1.6040 HG12 :: 1.3270 HG13 :: 0.9900 HG21 :: 0.6790 HG22 :: 0.6790 HG23 :: 0.6790 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 :: 120.8200 Ave N Shift Values>> N :: 121.46(4.28) 2.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 HN Overlap>> 2.A56 2.A56 C Shift Assignments>> C :: 172.9250 CA :: 60.1630 CB :: 34.6780 CG1 :: 21.9300 CG2 :: 20.8980 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 :: 8.7120 HA :: 4.7810 HB :: 1.8860 HG11 :: 0.8830 HG12 :: 0.8830 HG13 :: 0.8830 HG21 :: 0.8140 HG22 :: 0.8140 HG23 :: 0.8140 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.7500 Ave N Shift Values>> N :: 121.14(4.54) 2.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.21 C 0.1 A 0.02 C Shift Assignments>> C :: 175.7980 CA :: 52.7070 CB :: 45.3890 CG :: 26.9000 CD1 :: 23.7500 CD2 :: 25.6900 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 :: 9.0100 HA :: 5.2580 HB2 :: 1.9170 HB3 :: 1.2350 HG :: 1.5470 HD11 :: 0.7030 HD12 :: 0.7030 HD13 :: 0.7030 HD21 :: 0.7270 HD22 :: 0.7270 HD23 :: 0.7270 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.8800 Ave N Shift Values>> N :: 121.86(3.9) 2.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 173.7480 CA :: 59.6820 CB :: 39.2390 CG1 :: 27.7880 CG2 :: 18.0430 CD1 :: 14.3850 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 :: 9.1290 HA :: 5.0990 HB :: 1.7700 HG12 :: 1.5470 HG13 :: 0.9500 HG21 :: 0.8180 HG22 :: 0.8180 HG23 :: 0.8180 HD11 :: 0.7070 HD12 :: 0.7070 HD13 :: 0.7070 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 :: 128.8490 Ave N Shift Values>> N :: 121.46(4.28) 2.S66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.69 T 0.29 C Shift Assignments>> C :: 174.2060 CA :: 55.4160 CB :: 67.1580 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.3660 HA :: 6.0240(S) HB2 :: 3.6150 HB3 :: 3.5670 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.8530 Ave N Shift Values>> N :: 116.28(3.52) 2.G67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 169.9560 CA :: 45.2870 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9810 HA2 :: 3.4300 HA3 :: 5.7390(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.2680 Ave N Shift Values>> N :: 109.67(3.87) 2.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.16 A 0.13 K 0.09 HN Overlap>> 2.E81 2.E81 C Shift Assignments>> C :: 175.8970 CA :: 51.6100 CB :: 23.4890 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7010 HA :: 4.7780 HB1 :: 1.1860 HB2 :: 1.1860 HB3 :: 1.1860 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.6290 Ave N Shift Values>> N :: 123.23(3.54) 2.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.22 A 0.19 R 0.05 G 0.03 C Shift Assignments>> C :: 177.4180 CA :: 53.7790 CB :: 42.6450 CG :: 26.7000 CD1 :: 22.1700 CD2 :: 25.5000 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 :: 9.0720 HA :: 4.6200 HB2 :: 1.6780 HB3 :: 1.2720 HG :: 1.5970 HD11 :: 0.3000 HD12 :: 0.3000 HD13 :: 0.3000 HD21 :: 0.7990 HD22 :: 0.7990 HD23 :: 0.7990 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 :: 120.0860 Ave N Shift Values>> N :: 121.86(3.9) 2.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.18 C 0.09 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 175.5920 CA :: 53.2730 CB :: 38.8930 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 :: 8.1300 HA :: 4.7170 HB2 :: 2.7700 HB3 :: 2.3800 HD21 :: 7.6070 HD22 :: 7.1390 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 :: 118.9290 ND2 :: 113.5100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 F 0.15 Y 0.12 N 0.1 C 0.07 K 0.05 I 0.01 C Shift Assignments>> C :: 176.3650 CA :: 55.2310 CB :: 40.5550 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 :: 8.6290 HA :: 4.5210 HB2 :: 2.8000 HB3 :: 2.8000 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 :: 125.6300 Ave N Shift Values>> N :: 120.65(3.86) 2.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.36 R 0.14 C Shift Assignments>> C :: 176.7880 CA :: 55.8890 CB :: 32.2030 CG :: 25.1000 CD :: 29.2000 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 :: 8.0910 HA :: 4.4540 HB2 :: 1.9660 HB3 :: 1.7540 HG2 :: 1.5200 HG3 :: 1.4500 HD2 :: 1.7100 HD3 :: 1.7100 HE2 :: 3.0340 HE3 :: 3.0340 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 :: 120.8850 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.4 G 0.08 K 0.02 C Shift Assignments>> C :: 176.1540 CA :: 56.7020 CB :: 30.3720 CG :: 27.1200 CD :: 43.5800 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 :: 7.9400 HA :: 4.2980 HB2 :: 1.9600 HB3 :: 1.8900 HG2 :: 1.5900 HG3 :: 1.5900 HD2 :: 3.2870 HD3 :: 3.2870 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 :: 120.6410 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.18 C 0.1 Y 0.09 F 0.09 L 0.05 C Shift Assignments>> C :: 175.4800 CA :: 53.7790 CB :: 38.8590 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 :: 8.5030 HA :: 4.6810 HB2 :: 2.8940 HB3 :: 2.8140 HD21 :: 7.7400 HD22 :: 6.9990 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 :: 118.9400 ND2 :: 113.3000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 K 0.07 I 0.05 M 0.05 Q 0.04 HN Overlap>> 2.D99 2.R60 2.D99 2.R60 C Shift Assignments>> C :: 176.5540 CA :: 57.4110 CB :: 29.9390 CG :: 36.4000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.4640 HA :: 4.2610 HB2 :: 2.0930 HB3 :: 1.9990 HG2 :: 2.3080 HG3 :: 2.3080 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 :: 120.6420 Ave N Shift Values>> N :: 120.67(3.48) 2.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.28 R 0.04 A 0.02 G 0.01 C Shift Assignments>> C :: 177.5460 CA :: 55.3720 CB :: 42.1290 CG :: 27.1000 CD1 :: 25.1000 CD2 :: 23.3000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1920 HA :: 4.3700 HB2 :: 1.6420 HB3 :: 1.7330 HG :: 1.6480 HD11 :: 0.9570 HD12 :: 0.9570 HD13 :: 0.9570 HD21 :: 0.8970 HD22 :: 0.8970 HD23 :: 0.8970 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.2310 Ave N Shift Values>> N :: 121.86(3.9) 2.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.41 R 0.12 G 0.01 C Shift Assignments>> C :: 176.9090 CA :: 56.9620 CB :: 32.7700 CG :: 24.9000 CD :: 29.2000 CE :: 42.3000 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 :: 8.2640 HA :: 4.3550 HB2 :: 1.8400 HB3 :: 1.9070 HG2 :: 1.4560 HG3 :: 1.4560 HD2 :: 1.7170 HD3 :: 1.7170 HE2 :: 3.0230 HE3 :: 3.0230 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.0910 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.6260 CA :: 61.9360 CB :: 69.7490 CG2 :: 21.9100 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.0410 HA :: 4.3400 HB :: 4.2700 HG21 :: 1.2240 HG22 :: 1.2240 HG23 :: 1.2240 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.5630 Ave N Shift Values>> N :: 115.42(4.75) 2.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.39 R 0.12 G 0.01 C Shift Assignments>> C :: 176.6670 CA :: 56.4640 CB :: 33.0650 CG :: 24.8500 CD :: 29.1300 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 :: 8.2250 HA :: 4.3880 HB2 :: 1.9200 HB3 :: 1.8080 HG2 :: 1.4860 HG3 :: 1.4440 HD2 :: 1.7160 HD3 :: 1.7160 HE2 :: 3.0240 HE3 :: 3.0240 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 :: 122.9900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.42 R 0.11 C Shift Assignments>> C :: 177.1930 CA :: 57.1270 CB :: 33.0200 CG :: 24.8700 CD :: 29.1400 CE :: 42.2600 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 :: 8.4930 HA :: 4.3020 HB2 :: 1.8780 HB3 :: 1.8370 HG2 :: 1.4500 HG3 :: 1.4500 HD2 :: 1.7200 HD3 :: 1.7200 HE2 :: 3.0200 HE3 :: 3.0200 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 :: 123.3810 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 I 0.07 K 0.07 M 0.04 Q 0.04 HN Overlap>> 2.A68 2.A68 C Shift Assignments>> C :: 177.1010 CA :: 57.9140 CB :: 29.8540 CG :: 36.3700 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.7730 HA :: 4.2500 HB2 :: 1.9970 HB3 :: 2.0710 HG2 :: 2.3250 HG3 :: 2.3250 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 :: 120.6120 Ave N Shift Values>> N :: 120.67(3.48) 2.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.17 C 0.1 Y 0.1 F 0.09 L 0.05 C Shift Assignments>> C :: 175.7040 CA :: 53.8320 CB :: 38.7730 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 :: 8.2880 HA :: 4.7530 HB2 :: 2.9810 HB3 :: 2.8610 HD21 :: 7.7450 HD22 :: 7.0020 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 :: 118.7190 ND2 :: 113.0000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 L 0.18 D 0.18 Y 0.16 K 0.12 C 0.08 N 0.03 I 0.02 C Shift Assignments>> C :: 177.4590 CA :: 56.4570 CB :: 40.8960 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 :: 8.3200 HA :: 4.4630 HB2 :: 2.7200 HB3 :: 2.7610 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.8400 Ave N Shift Values>> N :: 120.65(3.86) 2.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 I 0.16 K 0.06 Q 0.03 M 0.01 HN Overlap>> 2.D92 2.D92 C Shift Assignments>> C :: 178.4560 CA :: 59.1300 CB :: 29.3660 CG :: 36.3900 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 :: 8.5290 HA :: 4.1000 HB2 :: 2.1160 HB3 :: 2.0700 HG2 :: 2.3380 HG3 :: 2.2850 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 :: 120.2900 Ave N Shift Values>> N :: 120.67(3.48) 2.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.45 I 0.02 C 0.02 HN Overlap>> 2.I101 2.I101 C Shift Assignments>> C :: 179.9810 CA :: 54.9010 CB :: 18.2260 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0960 HA :: 4.2020 HB1 :: 1.5080 HB2 :: 1.5080 HB3 :: 1.5080 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.8040 Ave N Shift Values>> N :: 123.23(3.54) 2.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 I 0.15 K 0.05 Q 0.02 M 0.02 C Shift Assignments>> C :: 179.3110 CA :: 59.3500 CB :: 29.7120 CG :: 36.4200 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 :: 8.2140 HA :: 4.1040 HB2 :: 2.1700 HB3 :: 2.1700 HG2 :: 2.2900 HG3 :: 2.2900 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 :: 119.3650 Ave N Shift Values>> N :: 120.67(3.48) 2.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.39 R 0.08 HN Overlap>> 2.A135 2.A135 C Shift Assignments>> C :: 177.9040 CA :: 57.7040 CB :: 41.9570 CG :: 26.7600 CD1 :: 22.4700 CD2 :: 26.0200 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 :: 8.2570 HA :: 4.1610 HB2 :: 1.5480 HB3 :: 1.9580 HG :: 1.5420 HD11 :: 0.8270 HD12 :: 0.8270 HD13 :: 0.8270 HD21 :: 0.9670 HD22 :: 0.9670 HD23 :: 0.9670 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.5660 Ave N Shift Values>> N :: 121.86(3.9) 2.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.9450 CA :: 67.1680 CB :: 68.6750 CG2 :: 21.8900 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.2440 HA :: 3.7160 HB :: 4.2600 HG21 :: 1.2340 HG22 :: 1.2340 HG23 :: 1.2340 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 :: 115.3570 Ave N Shift Values>> N :: 115.42(4.75) 2.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.32 I 0.18 K 0.06 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.0290 CA :: 59.6450 CB :: 29.3710 CG :: 36.2000 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 :: 7.8330 HA :: 4.0720 HB2 :: 2.0740 HB3 :: 2.1100 HG2 :: 2.2450 HG3 :: 2.3900 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 :: 121.0360 Ave N Shift Values>> N :: 120.67(3.48) 2.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.44 R 0.07 C Shift Assignments>> C :: 179.1900 CA :: 58.5700 CB :: 41.5960 CG :: 27.4400 CD1 :: 26.2400 CD2 :: 23.9400 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 :: 7.6200 HA :: 4.2590 HB2 :: 1.8030 HB3 :: 2.1000 HG :: 1.5640 HD11 :: 0.9270 HD12 :: 0.9270 HD13 :: 0.9270 HD21 :: 1.0520 HD22 :: 1.0520 HD23 :: 1.0520 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 :: 120.8160 Ave N Shift Values>> N :: 121.86(3.9) 2.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 L 0.23 R 0.02 C Shift Assignments>> C :: 179.0510 CA :: 58.6170 CB :: 40.8520 CG :: 27.0500 CD1 :: 23.0300 CD2 :: 27.1600 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 :: 8.4620 HA :: 3.8700 HB2 :: 1.2480 HB3 :: 2.0750 HG :: 1.7880 HD11 :: 0.6720 HD12 :: 0.6720 HD13 :: 0.6720 HD21 :: 0.8000 HD22 :: 0.8000 HD23 :: 0.8000 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 :: 118.3480 Ave N Shift Values>> N :: 121.86(3.9) 2.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 C 0.12 D 0.09 L 0.09 I 0.07 K 0.02 N 0.02 HN Overlap>> 2.E84 2.E84 C Shift Assignments>> C :: 179.7450 CA :: 57.5200 CB :: 40.0630 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 :: 8.5290 HA :: 4.4580 HB2 :: 2.5870 HB3 :: 2.8790 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 :: 120.2050 Ave N Shift Values>> N :: 120.65(3.86) 2.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 C 0.2 F 0.16 N 0.14 E 0.11 D 0.05 I 0.03 M 0.03 L 0.02 C Shift Assignments>> C :: 178.8430 CA :: 55.9820 CB :: 37.7940 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 :: 8.3680 HA :: 4.5430 HB2 :: 3.1400 HB3 :: 2.9100 HD21 :: 7.7430 HD22 :: 6.9450 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 :: 122.0120 ND2 :: 112.5500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 177.7140 CA :: 66.5050 CB :: 38.2540 CG1 :: 29.7800 CG2 :: 18.9900 CD1 :: 14.9600 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 :: 8.4730 HA :: 3.6100 HB :: 1.9880 HG12 :: 2.2390 HG13 :: 0.7080 HG21 :: 0.9300 HG22 :: 0.9300 HG23 :: 0.9300 HD11 :: 0.8190 HD12 :: 0.8190 HD13 :: 0.8190 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 :: 121.5330 Ave N Shift Values>> N :: 121.46(4.28) 2.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.4 R 0.07 G 0.01 HN Overlap>> 2.R47 2.R47 C Shift Assignments>> C :: 176.9410 CA :: 60.6060 CB :: 32.2330 CG :: 25.0700 CD :: 29.5500 CE :: 42.2600 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 :: 8.6930 HA :: 3.6680 HB2 :: 2.0680 HB3 :: 1.6850 HG2 :: 1.4330 HG3 :: 1.2570 HD2 :: 1.7160 HD3 :: 1.7160 HE2 :: 3.0400 HE3 :: 3.0400 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 :: 120.3400 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.47 I 0.02 C 0.02 C Shift Assignments>> C :: 179.9200 CA :: 54.6830 CB :: 18.1160 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0950 HA :: 4.1880 HB1 :: 1.5100 HB2 :: 1.5100 HB3 :: 1.5100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.6500 Ave N Shift Values>> N :: 123.23(3.54) 2.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.32 K 0.23 L 0.02 HN Overlap>> 2.Y122 2.Y122 C Shift Assignments>> C :: 178.7220 CA :: 57.3570 CB :: 29.6390 CG :: 26.8000 CD :: 42.0300 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 :: 7.4400 HA :: 4.1990 HB2 :: 2.0200 HB3 :: 2.2040 HG2 :: 1.7270 HG3 :: 1.7270 HD2 :: 3.1330 HD3 :: 3.1330 HE :: 6.8530 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 :: 116.2770 NE :: 83.2900 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 176.1550 CA :: 63.4340 CB :: 31.8900 CG1 :: 21.1600 CG2 :: 22.7200 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.9120 HA :: 4.2550 HB :: 2.3360 HG11 :: 0.9740 HG12 :: 0.9740 HG13 :: 0.9740 HG21 :: 0.9900 HG22 :: 0.9900 HG23 :: 0.9900 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 :: 113.0100 Ave N Shift Values>> N :: 121.14(4.54) 2.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.18 L 0.18 Y 0.15 C 0.08 K 0.07 N 0.06 I 0.01 HN Overlap>> 2.E75 2.E75 2.R60 2.R60 C Shift Assignments>> C :: 177.1540 CA :: 55.9380 CB :: 40.6110 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 :: 8.5040 HA :: 4.5310 HB2 :: 2.8470 HB3 :: 2.6180 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 :: 120.5580 Ave N Shift Values>> N :: 120.65(3.86) 2.R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 G 0.07 K 0.03 L 0.01 HN Overlap>> 2.E15 2.E15 C Shift Assignments>> C :: 176.9750 CA :: 56.4300 CB :: 29.9660 CG :: 27.1200 CD :: 43.4700 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 :: 7.3720 HA :: 4.3160 HB2 :: 2.1220 HB3 :: 1.9080 HG2 :: 1.8400 HG3 :: 1.7220 HD2 :: 3.2530 HD3 :: 3.2530 HE :: 7.2290 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 :: 115.6290 NE :: 85.1000 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 HN Overlap>> 2.A85 2.A85 C Shift Assignments>> C :: 175.4440 CA :: 62.6830 CB :: 37.5530 CG1 :: 28.4600 CG2 :: 17.0700 CD1 :: 14.0900 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 :: 8.0300 HA :: 3.9150 HB :: 1.8940 HG12 :: 1.7610 HG13 :: 0.9500 HG21 :: 0.8430 HG22 :: 0.8430 HG23 :: 0.8430 HD11 :: 0.6980 HD12 :: 0.6980 HD13 :: 0.6980 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.8860 Ave N Shift Values>> N :: 121.46(4.28) 2.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.2 D 0.19 F 0.12 Y 0.09 C 0.06 R 0.04 N 0.02 C Shift Assignments>> C :: 176.2550 CA :: 55.8330 CB :: 41.5670 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 :: 8.3650 HA :: 4.3570 HB2 :: 2.5860 HB3 :: 2.5860 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 :: 126.0790 Ave N Shift Values>> N :: 120.65(3.86) 2.N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 C 0.17 Y 0.12 F 0.09 E 0.07 D 0.07 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 173.9110 CA :: 54.3830 CB :: 37.7130 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 :: 8.6750 HA :: 4.3780 HB2 :: 3.0050 HB3 :: 2.8210 HD21 :: 7.5920 HD22 :: 6.8590 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 :: 114.5010 ND2 :: 113.0400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 174.2980 CA :: 60.2840 CB :: 40.9780 CG1 :: 27.4200 CG2 :: 17.2600 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 :: 7.6010 HA :: 4.5110 HB :: 1.6430 HG12 :: 1.2760 HG13 :: 1.1230 HG21 :: 0.7400 HG22 :: 0.7400 HG23 :: 0.7400 HD11 :: 0.7010 HD12 :: 0.7010 HD13 :: 0.7010 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 :: 115.3940 Ave N Shift Values>> N :: 121.46(4.28) 2.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.35 R 0.11 G 0.01 C Shift Assignments>> C :: 174.6330 CA :: 55.3060 CB :: 34.1300 CG :: 24.9600 CD :: 29.1900 CE :: 42.2000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.9140 HA :: 4.6230 HB2 :: 1.6990 HB3 :: 1.6990 HG2 :: 1.4370 HG3 :: 1.3210 HD2 :: 1.6470 HD3 :: 1.6470 HE2 :: 2.9440 HE3 :: 2.9440 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.6950 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 175.4470 CA :: 60.7060 CB :: 34.0870 CG1 :: 21.7200 CG2 :: 22.2700 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 :: 8.8350 HA :: 5.0590 HB :: 1.9230 HG11 :: 0.7760 HG12 :: 0.7760 HG13 :: 0.7760 HG21 :: 0.8550 HG22 :: 0.8550 HG23 :: 0.8550 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.0270 Ave N Shift Values>> N :: 121.14(4.54) 2.R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.31 K 0.25 G 0.07 C Shift Assignments>> C :: 174.5670 CA :: 53.8140 CB :: 33.6300 CG :: 27.8500 CD :: 43.0000 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 :: 8.7350 HA :: 4.8840 HB2 :: 1.7110 HB3 :: 1.6160 HG2 :: 1.5610 HG3 :: 1.4710 HD2 :: 3.1790 HD3 :: 3.0500 HE :: 7.4860 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 :: 128.0760 NE :: 83.9700 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.63 C 0.36 C Shift Assignments>> C :: 174.4780 CA :: 58.8370 CB :: 70.8720 CG2 :: 22.4100 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.6390 HA :: 5.9490 HB :: 4.1760 HG21 :: 1.0710 HG22 :: 1.0710 HG23 :: 1.0710 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 :: 114.7620 Ave N Shift Values>> N :: 115.42(4.75) 2.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.31 G 0.1 C Shift Assignments>> C :: 173.6180 CA :: 61.2520 CB :: 43.1400 CG1 :: 28.2400 CG2 :: 17.0400 CD1 :: 15.0900 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 :: 8.4760 HA :: 4.4940 HB :: 1.6020 HG12 :: 1.5130 HG13 :: 1.1270 HG21 :: 0.8640 HG22 :: 0.8640 HG23 :: 0.8640 HD11 :: 0.7790 HD12 :: 0.7790 HD13 :: 0.7790 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.9300 Ave N Shift Values>> N :: 121.46(4.28) 2.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 172.8490 CA :: 61.0380 CB :: 70.1750 CG2 :: 22.3700 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.2340 HA :: 4.6150 HB :: 4.2190 HG21 :: 1.1390 HG22 :: 1.1390 HG23 :: 1.1390 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 :: 117.9330 Ave N Shift Values>> N :: 115.42(4.75) 2.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 A 0.37 C 0.17 K 0.02 C Shift Assignments>> C :: 176.5930 CA :: 50.3490 CB :: 22.9840 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8050 HA :: 5.0140 HB1 :: 1.5050 HB2 :: 1.5050 HB3 :: 1.5050 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.3930 Ave N Shift Values>> N :: 123.23(3.54) 2.T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 175.5940 CA :: 60.2150 CB :: 71.8000 CG2 :: 21.8000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.4440 HA :: 4.8750 HB :: 4.5680 HG21 :: 1.2940 HG22 :: 1.2940 HG23 :: 1.2940 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 :: 109.5120 Ave N Shift Values>> N :: 115.42(4.75) 2.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.8810 CA :: 61.8060 CB :: 62.7870 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.2820 HA :: 4.0300 HB2 :: 4.0940 HB3 :: 4.0940 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 :: 116.1540 Ave N Shift Values>> N :: 116.28(3.52) 2.R114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.44 G 0.06 K 0.03 C Shift Assignments>> C :: 177.8620 CA :: 59.1230 CB :: 30.1910 CG :: 26.9000 CD :: 43.3000 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 :: 8.0450 HA :: 4.0210 HB2 :: 1.7980 HB3 :: 1.8990 HG2 :: 1.6670 HG3 :: 1.6670 HD2 :: 3.2390 HD3 :: 3.2390 HE :: 7.4470 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 :: 122.4170 NE :: 85.5500 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 I 0.39 E 0.15 HN Overlap>> 2.D58 2.D58 C Shift Assignments>> C :: 178.4860 CA :: 60.1620 CB :: 29.4300 CG :: 37.7800 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 :: 7.6980 HA :: 4.2950 HB2 :: 2.4470 HB3 :: 2.0020 HG2 :: 2.5910 HG3 :: 2.3530 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 :: 119.3550 Ave N Shift Values>> N :: 120.67(3.48) 2.R116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 C 0.24 K 0.11 E 0.1 Q 0.07 H 0.07 R 0.06 V 0.02 P 0.01 M 0.01 HN Overlap>> 2.K117 2.K117 C Shift Assignments>> C :: 177.3370 CA :: 60.2720 CB :: 28.7190 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 :: 7.8950 HA :: 3.6190 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 :: 117.7620 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.41 R 0.1 HN Overlap>> 2.R116 2.R116 C Shift Assignments>> C :: 179.6200 CA :: 59.9470 CB :: 32.0020 CG :: 25.3800 CD :: 29.6200 CE :: 42.0500 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.7930 HA :: 3.7630 HB2 :: 1.8520 HB3 :: 1.8520 HG2 :: 1.3420 HG3 :: 1.5420 HD2 :: 1.6140 HD3 :: 1.6140 HE2 :: 2.9100 HE3 :: 2.9100 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 :: 117.7990 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.D118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.27 C 0.14 D 0.09 L 0.07 I 0.07 N 0.04 C Shift Assignments>> C :: 176.6610 CA :: 57.1870 CB :: 39.4720 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 :: 8.1080 HA :: 4.1960 HB2 :: 2.3800 HB3 :: 2.6850 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 :: 121.8810 Ave N Shift Values>> N :: 120.65(3.86) 2.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.18 I 0.08 C 0.02 C Shift Assignments>> C :: 179.6370 CA :: 56.0110 CB :: 17.5240 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8990 HA :: 3.0820 HB1 :: 1.2990 HB2 :: 1.2990 HB3 :: 1.2990 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.2070 Ave N Shift Values>> N :: 123.23(3.54) 2.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.43 R 0.01 C Shift Assignments>> C :: 181.2940 CA :: 57.8960 CB :: 41.6180 CG :: 27.1300 CD1 :: 23.4900 CD2 :: 24.5600 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 :: 7.4850 HA :: 3.9770 HB2 :: 1.6950 HB3 :: 1.4800 HG :: 1.7330 HD11 :: 0.7750 HD12 :: 0.7750 HD13 :: 0.7750 HD21 :: 0.7610 HD22 :: 0.7610 HD23 :: 0.7610 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 :: 115.9070 Ave N Shift Values>> N :: 121.86(3.9) 2.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.41 R 0.1 HN Overlap>> 2.I142 2.I142 C Shift Assignments>> C :: 178.3460 CA :: 59.0600 CB :: 31.4610 CG :: 24.3000 CD :: 29.4000 CE :: 42.1500 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 :: 7.5440 HA :: 3.8660 HB2 :: 1.6400 HB3 :: 1.6400 HG2 :: 1.1940 HG3 :: 0.8990 HD2 :: 1.4460 HD3 :: 1.3680 HE2 :: 2.6990 HE3 :: 2.6350 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 :: 121.7250 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Y122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 2.R97 2.R97 C Shift Assignments>> C :: 175.7940 CA :: 58.0620 CB :: 38.9220 CD1 :: 133.3000 CD2 :: 133.3000 CE1 :: 117.5700 CE2 :: 117.5700 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.5190 HA :: 4.6090 HB2 :: 3.2810 HB3 :: 2.4650 HD1 :: 6.9500 HD2 :: 6.9500 HE1 :: 6.7600 HE2 :: 6.7600 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 :: 116.3180 Ave N Shift Values>> N :: 120.52(4.2) 2.G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 174.3730 CA :: 46.7450 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9180 HA2 :: 3.8770 HA3 :: 4.0300 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3430 Ave N Shift Values>> N :: 109.67(3.87) 2.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.29 L 0.12 A 0.08 HN Overlap>> 2.E157 2.E157 2.L133 2.L133 C Shift Assignments>> C :: 176.0080 CA :: 52.6720 CB :: 46.9330 CG :: 26.4000 CD1 :: 23.6000 CD2 :: 26.4000 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 :: 7.9770 HA :: 4.7210 HB2 :: 1.5140 HB3 :: 1.5140 HG :: 1.4890 HD11 :: 0.6150 HD12 :: 0.6150 HD13 :: 0.6150 HD21 :: 0.6900 HD22 :: 0.6900 HD23 :: 0.6900 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 :: 119.7040 Ave N Shift Values>> N :: 121.86(3.9) 2.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.2280 CA :: 57.1460 CB :: 64.2320 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2180 HA :: 4.3080 HB2 :: 3.7550 HB3 :: 3.7550 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 :: 115.7690 Ave N Shift Values>> N :: 116.28(3.52) 2.M126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 M 0.27 I 0.05 C Shift Assignments>> C :: 177.3730 CA :: 60.1970 CB :: 34.1200 CG :: 30.8600 CE :: 17.3000 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.0700 HA :: 3.8240 HB2 :: 2.0000 HB3 :: 1.9540 HG2 :: 2.3710 HG3 :: 2.2340 HE1 :: 1.9220 HE2 :: 1.9220 HE3 :: 1.9220 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.1110 Ave N Shift Values>> N :: 120.09(3.57) 2.G127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 P 0.29 A 0.12 C 0.09 N 0.04 L 0.02 D 0.01 C Shift Assignments>> C :: 174.7190 CA :: 48.1420 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.4930 HA2 :: 3.9550 HA3 :: 3.4640 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.5790 Ave N Shift Values>> N :: 109.67(3.87) 2.K128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 R 0.33 K 0.09 G 0.02 C Shift Assignments>> C :: 178.5320 CA :: 60.7410 CB :: 33.0350 CG :: 27.0900 CD :: 29.9400 CE :: 42.6200 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 :: 7.5050 HA :: 3.6090 HB2 :: 1.6470 HB3 :: 1.6470 HG2 :: 1.1580 HG3 :: 1.3620 HD2 :: 1.7230 HD3 :: 1.6680 HE2 :: 2.9450 HE3 :: 2.8530 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 :: 121.1880 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Y129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 HN Overlap>> 2.F51 2.F51 C Shift Assignments>> C :: 176.9810 CA :: 61.7760 CB :: 39.3610 CD1 :: 132.3100 CD2 :: 132.3100 CE1 :: 118.9000 CE2 :: 118.9000 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 :: 8.4450 HA :: 4.1400 HB2 :: 2.9780 HB3 :: 2.9780 HD1 :: 6.9010 HD2 :: 6.9010 HE1 :: 6.8670 HE2 :: 6.8670 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 :: 117.6520 Ave N Shift Values>> N :: 120.52(4.2) 2.C130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 I 0.41 C 0.08 C Shift Assignments>> C :: 178.0790 CA :: 65.3270 CB :: 27.0720 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.4190 HA :: 3.9020 HB2 :: 2.9630 HB3 :: 2.8970 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.8710 Ave N Shift Values>> N :: 120.17(4.64) 2.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.39 R 0.06 C Shift Assignments>> C :: 178.4330 CA :: 57.9150 CB :: 41.5930 CG :: 26.3500 CD1 :: 23.6290 CD2 :: 26.8280 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 :: 7.9740 HA :: 4.0370 HB2 :: 1.8750 HB3 :: 1.3510 HG :: 1.7730 HD11 :: 0.7170 HD12 :: 0.7170 HD13 :: 0.7170 HD21 :: 0.8000 HD22 :: 0.8000 HD23 :: 0.8000 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 :: 120.7760 Ave N Shift Values>> N :: 121.86(3.9) 2.Y132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 176.3230 CA :: 61.0530 CB :: 36.6370 CD1 :: 133.2000 CD2 :: 133.2000 CE1 :: 117.8800 CE2 :: 117.8800 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.8990 HA :: 3.8600 HB2 :: 3.4130 HB3 :: 2.8260 HD1 :: 6.5860 HD2 :: 6.5860 HE1 :: 6.5130 HE2 :: 6.5130 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 :: 121.9180 Ave N Shift Values>> N :: 120.52(4.2) 2.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 L 0.3 A 0.02 R 0.02 HN Overlap>> 2.E157 2.L124 2.E157 2.L124 C Shift Assignments>> C :: 180.5940 CA :: 57.5960 CB :: 41.3770 CG :: 25.9000 CD1 :: 21.8900 CD2 :: 26.1200 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 :: 7.9770 HA :: 3.3990 HB2 :: 1.7700 HB3 :: 1.2000 HG :: 1.1600 HD11 :: 0.6730 HD12 :: 0.6730 HD13 :: 0.6730 HD21 :: 0.8120 HD22 :: 0.8120 HD23 :: 0.8120 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 :: 119.7040 Ave N Shift Values>> N :: 121.86(3.9) 2.E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 I 0.17 K 0.06 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.6540 CA :: 59.3500 CB :: 29.3540 CG :: 36.3500 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 :: 7.5730 HA :: 3.9360 HB2 :: 2.1200 HB3 :: 2.0700 HG2 :: 2.4200 HG3 :: 2.1300 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 :: 119.8120 Ave N Shift Values>> N :: 120.67(3.48) 2.A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.42 C 0.02 I 0.01 HN Overlap>> 2.L87 2.L87 C Shift Assignments>> C :: 179.5470 CA :: 54.3600 CB :: 18.1310 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1580 HA :: 3.9210 HB1 :: 1.3310 HB2 :: 1.3310 HB3 :: 1.3310 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.6060 Ave N Shift Values>> N :: 123.23(3.54) 2.Q136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.25 R 0.06 E 0.06 M 0.02 I 0.01 HN Overlap>> 2.N46 2.I156 2.N46 2.I156 C Shift Assignments>> C :: 177.7840 CA :: 58.0650 CB :: 28.4470 CG :: 33.8500 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 :: 8.2310 HA :: 3.8960 HB2 :: 1.7360 HB3 :: 1.8480 HG2 :: 2.0750 HG3 :: 2.0060 HE21 :: 6.9700 HE22 :: 6.6400 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.8580 NE2 :: 112.0300 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 K 0.1 I 0.09 Q 0.05 M 0.02 C Shift Assignments>> C :: 177.4360 CA :: 58.1180 CB :: 29.3650 CG :: 36.1800 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 :: 7.5630 HA :: 4.0210 HB2 :: 2.0400 HB3 :: 2.0400 HG2 :: 2.2490 HG3 :: 2.3360 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.2040 Ave N Shift Values>> N :: 120.67(3.48) 2.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.29 R 0.03 A 0.01 G 0.01 C Shift Assignments>> C :: 177.1240 CA :: 55.4570 CB :: 42.1650 CG :: 26.7700 CD1 :: 23.3900 CD2 :: 25.1000 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 :: 7.3750 HA :: 4.2390 HB2 :: 1.6200 HB3 :: 1.4340 HG :: 1.5510 HD11 :: 0.7170 HD12 :: 0.7170 HD13 :: 0.7170 HD21 :: 0.7540 HD22 :: 0.7540 HD23 :: 0.7540 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 :: 117.7790 Ave N Shift Values>> N :: 121.86(3.9) 2.N139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.13 C 0.11 Y 0.09 F 0.09 L 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 175.4900 CA :: 53.7880 CB :: 38.4210 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 :: 8.0320 HA :: 4.5820 HB2 :: 2.7450 HB3 :: 2.8160 HD21 :: 7.6220 HD22 :: 6.9340 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.7080 ND2 :: 112.7000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.G140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.7280 CA :: 46.2950 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4450 HA2 :: 3.9960 HA3 :: 3.8090 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9660 Ave N Shift Values>> N :: 109.67(3.87) 2.S141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1300 CA :: 59.0590 CB :: 63.8700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0520 HA :: 4.3560 HB2 :: 3.8600 HB3 :: 3.8600 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 :: 113.9380 Ave N Shift Values>> N :: 116.28(3.52) 2.I142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 HN Overlap>> 2.K121 2.K121 C Shift Assignments>> C :: 175.0340 CA :: 61.1800 CB :: 40.0480 CG1 :: 27.6900 CG2 :: 17.2400 CD1 :: 14.3700 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 :: 7.5370 HA :: 4.4580 HB :: 1.6940 HG12 :: 1.5940 HG13 :: 1.1170 HG21 :: 0.8910 HG22 :: 0.8910 HG23 :: 0.8910 HD11 :: 0.7890 HD12 :: 0.7890 HD13 :: 0.7890 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 :: 121.6690 Ave N Shift Values>> N :: 121.46(4.28) 2.T143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.26 C Shift Assignments>> C :: 175.8530 CA :: 60.2600 CB :: 71.8490 CG2 :: 21.9600 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.4800 HA :: 4.8840 HB :: 4.5700 HG21 :: 1.2920 HG22 :: 1.2920 HG23 :: 1.2920 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.0450 Ave N Shift Values>> N :: 115.42(4.75) 2.I144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 HN Overlap>> 2.N59 2.N59 C Shift Assignments>> C :: 177.0930 CA :: 62.3440 CB :: 37.1630 CG1 :: 28.3400 CG2 :: 17.5500 CD1 :: 11.7300 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 :: 8.5590 HA :: 3.2980 HB :: 1.5030 HG12 :: 0.7340 HG13 :: 0.5800 HG21 :: 0.6800 HG22 :: 0.6800 HG23 :: 0.6800 HD11 :: -0.0580 HD12 :: -0.0580 HD13 :: -0.0580 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 :: 121.9050 Ave N Shift Values>> N :: 121.46(4.28) 2.D145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 L 0.14 D 0.14 C 0.1 K 0.07 I 0.03 N 0.02 C Shift Assignments>> C :: 178.4160 CA :: 56.9800 CB :: 40.5460 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 :: 7.8900 HA :: 4.3570 HB2 :: 2.6600 HB3 :: 2.5000 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 :: 118.0810 Ave N Shift Values>> N :: 120.65(3.86) 2.E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.38 I 0.08 M 0.05 K 0.02 HN Overlap>> 2.V147 2.V147 C Shift Assignments>> C :: 178.8750 CA :: 58.0960 CB :: 30.4710 CG :: 37.1000 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 :: 7.6420 HA :: 4.1960 HB2 :: 2.3300 HB3 :: 2.0080 HG2 :: 2.2790 HG3 :: 2.3780 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 :: 117.9440 Ave N Shift Values>> N :: 120.67(3.48) 2.V147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 HN Overlap>> 2.E146 2.E146 C Shift Assignments>> C :: 177.5310 CA :: 65.4630 CB :: 31.3260 CG1 :: 22.9400 CG2 :: 23.6900 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 :: 7.5660 HA :: 3.6880 HB :: 2.0880 HG11 :: 0.8540 HG12 :: 0.8540 HG13 :: 0.8540 HG21 :: 0.9610 HG22 :: 0.9610 HG23 :: 0.9610 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 :: 118.0040 Ave N Shift Values>> N :: 121.14(4.54) 2.H148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 H 0.43 HN Overlap>> 2.S2 2.S2 C Shift Assignments>> C :: 176.3860 CA :: 60.1560 CB :: 28.9070 CD2 :: 120.2400 CE1 :: 137.0900 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.9370 HA :: 4.0710 HB2 :: 3.2810 HB3 :: 3.2450 HD2 :: 7.3690 HE1 :: 8.2790 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 :: 117.2930 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.D149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.25 K 0.16 F 0.09 Y 0.06 N 0.05 C 0.05 R 0.04 HN Overlap>> 2.L33 2.L33 C Shift Assignments>> C :: 175.8240 CA :: 54.7580 CB :: 41.5930 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 :: 7.6650 HA :: 4.7690 HB2 :: 2.5500 HB3 :: 2.8960 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 :: 115.8290 Ave N Shift Values>> N :: 120.65(3.86) 2.M150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.41 A 0.12 C Shift Assignments>> C :: 175.5530 CA :: 55.9250 CB :: 35.4800 CG :: 32.3800 CE :: 17.3000 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.4340 HA :: 4.5160 HB2 :: 2.1240 HB3 :: 2.0880 HG2 :: 2.7950 HG3 :: 2.6330 HE1 :: 1.9890 HE2 :: 1.9890 HE3 :: 1.9890 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 :: 120.6240 Ave N Shift Values>> N :: 120.09(3.57) 2.S151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.3470 CA :: 56.7720 CB :: 65.3500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.1250 HA :: 4.7270 HB2 :: 4.4120 HB3 :: 4.0140 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 :: 118.6230 Ave N Shift Values>> N :: 116.28(3.52) 2.I152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 177.8820 CA :: 64.8040 CB :: 36.8610 CG1 :: 28.2000 CG2 :: 18.2900 CD1 :: 12.7900 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 :: 8.8330 HA :: 3.7180 HB :: 1.7580 HG12 :: 1.4420 HG13 :: 1.3400 HG21 :: 0.7920 HG22 :: 0.7920 HG23 :: 0.7920 HD11 :: 0.7160 HD12 :: 0.7160 HD13 :: 0.7160 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 :: 119.9710 Ave N Shift Values>> N :: 121.46(4.28) 2.S153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.6170 CA :: 62.3400 CB :: 62.3400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9280 HA :: 3.9190 HB2 :: 3.9190 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 :: 113.8640 Ave N Shift Values>> N :: 116.28(3.52) 2.D154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 L 0.12 C 0.11 D 0.1 K 0.06 I 0.05 N 0.01 C Shift Assignments>> C :: 178.9740 CA :: 57.4710 CB :: 40.5020 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 :: 7.8990 HA :: 4.3540 HB2 :: 2.9760 HB3 :: 2.6140 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 :: 122.6280 Ave N Shift Values>> N :: 120.65(3.86) 2.M155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.31 C Shift Assignments>> C :: 177.8140 CA :: 59.7110 CB :: 33.5650 CG :: 33.2100 CE :: 16.1300 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.9420 HA :: 3.9240 HB2 :: 1.9480 HB3 :: 2.2240 HG2 :: 2.7810 HG3 :: 2.3940 HE1 :: 1.9330 HE2 :: 1.9330 HE3 :: 1.9330 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 :: 118.8610 Ave N Shift Values>> N :: 120.09(3.57) 2.I156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 HN Overlap>> 2.N46 2.N46 2.Q136 2.Q136 C Shift Assignments>> C :: 178.1270 CA :: 64.3560 CB :: 37.0300 CG1 :: 29.6200 CG2 :: 17.2400 CD1 :: 12.5800 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 :: 8.2860 HA :: 3.6240 HB :: 1.9510 HG12 :: 1.6000 HG13 :: 1.2340 HG21 :: 0.8440 HG22 :: 0.8440 HG23 :: 0.8440 HD11 :: 0.7060 HD12 :: 0.7060 HD13 :: 0.7060 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 :: 118.8590 Ave N Shift Values>> N :: 121.46(4.28) 2.E157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.32 I 0.19 K 0.06 Q 0.03 M 0.01 HN Overlap>> 2.L124 2.L133 2.L124 2.L133 C Shift Assignments>> C :: 179.0600 CA :: 59.6350 CB :: 29.3520 CG :: 36.2800 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.0040 HA :: 4.0360 HB2 :: 2.1240 HB3 :: 2.1240 HG2 :: 2.2600 HG3 :: 2.3800 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 :: 119.7360 Ave N Shift Values>> N :: 120.67(3.48) 2.K158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.41 R 0.14 C Shift Assignments>> C :: 178.8350 CA :: 58.6740 CB :: 32.0400 CG :: 25.3600 CD :: 29.1500 CE :: 42.2400 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 :: 7.5990 HA :: 4.0750 HB2 :: 1.9640 HB3 :: 1.8700 HG2 :: 1.5500 HG3 :: 1.5030 HD2 :: 1.7110 HD3 :: 1.7110 HE2 :: 2.9380 HE3 :: 2.9380 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 :: 117.6690 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.38 R 0.07 C Shift Assignments>> C :: 178.5420 CA :: 56.9980 CB :: 42.0830 CG :: 26.8500 CD1 :: 23.3200 CD2 :: 25.8000 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 :: 7.8040 HA :: 4.0860 HB2 :: 1.8610 HB3 :: 1.5590 HG :: 1.7750 HD11 :: 0.7510 HD12 :: 0.7510 HD13 :: 0.7510 HD21 :: 0.8440 HD22 :: 0.8440 HD23 :: 0.8440 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 :: 118.7930 Ave N Shift Values>> N :: 121.86(3.9) 2.E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.37 I 0.08 K 0.05 M 0.04 Q 0.02 C Shift Assignments>> C :: 177.4900 CA :: 57.8290 CB :: 29.8460 CG :: 36.6300 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 :: 8.0440 HA :: 4.0900 HB2 :: 1.9250 HB3 :: 1.9250 HG2 :: 2.1670 HG3 :: 2.3820 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.0600 Ave N Shift Values>> N :: 120.67(3.48) 2.H161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.17 H 0.15 E 0.15 C 0.13 R 0.12 M 0.04 I 0.02 L 0.01 C Shift Assignments>> C :: 175.1970 CA :: 56.6970 CB :: 29.2260 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.9570 HA :: 4.5210 HB2 :: 3.1870 HB3 :: 3.1870 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 :: 117.4850 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.H162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 E 0.16 Q 0.16 R 0.16 C 0.13 K 0.11 M 0.06 I 0.01 C Shift Assignments>> C :: 175.6100 CA :: 56.4830 CB :: 29.9580 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 :: 8.0940 HA :: 4.5270 HB2 :: 3.0280 HB3 :: 3.1430 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 :: 118.7970 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.H163 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H164 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.18 Q 0.16 R 0.15 E 0.15 C 0.13 K 0.12 M 0.07 C Shift Assignments>> C :: 173.8210 CA :: 55.9000 CB :: 29.8500 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.6240 HB2 :: 3.1440 HB3 :: 3.1440 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) 2.H166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 H 0.15 C 0.15 Q 0.15 R 0.15 K 0.12 M 0.05 I 0.02 C Shift Assignments>> C :: 179.0510 CA :: 57.4230 CB :: 29.8440 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 :: 8.2390 HA :: 4.4530 HB2 :: 3.0790 HB3 :: 3.2400 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 :: 125.4070 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 171 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 173 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 176 #Suspicious: 0 C Shift Results: #Consistent: 772 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1258 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 188 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.N10 C = 181.4730(S), Expected = 175.27, Std = 1.7900, ChiSquare = 5.2952e-04 2.S2 HA = 5.8530(S), Expected = 4.48, Std = 0.4000, ChiSquare = 5.9804e-04 2.I27 N = 104.6110(S), Expected = 121.46, Std = 4.2800, ChiSquare = 8.2616e-05 2.S66 HA = 6.0240(S), Expected = 4.48, Std = 0.4000, ChiSquare = 1.1339e-04 2.G67 HA3 = 5.7390(S), Expected = 3.90, Std = 0.3700, ChiSquare = 6.6860e-07