Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.71 A 0.28 C Shift Assignments>> C :: 175.2650 CA :: 55.6550 CB :: 32.6920 CG :: 31.9880 CE :: 18.0740 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.4490 HB2 :: 1.9970 HB3 :: 2.0550 HG2 :: 2.5750 HG3 :: 2.5410 HE1 :: 2.1060 HE2 :: 2.1060 HE3 :: 2.1060 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.23 F 0.09 Y 0.09 L 0.07 C Shift Assignments>> C :: 174.5730 CA :: 53.5090 CB :: 39.1240 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 :: 8.4560 HA :: 4.6000 HB2 :: 2.6490 HB3 :: 2.6490 HD21 :: 7.4430 HD22 :: 6.8160 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 :: 120.4160 ND2 :: 112.3200 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R4 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.77 G 0.15 K 0.06 C Shift Assignments>> C :: 173.7760 CA :: 54.8650 CB :: 31.7300 CG :: 26.8920 CD :: 43.5410 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.2730 HA :: 4.1900 HB2 :: 0.4450(S) HB3 :: 1.2070 HG2 :: 1.3630 HG3 :: 1.3320 HD2 :: 3.0350 HD3 :: 2.9240 HE :: 7.3350 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.3000 NE :: 84.1300 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.39 A 0.01 C Shift Assignments>> C :: 177.9740 CA :: 53.4840 CB :: 45.9570 CG :: 26.8920 CD1 :: 24.9660 CD2 :: 24.0600 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9980 HA :: 5.4020 HB2 :: 1.4600 HB3 :: 1.5880 HG :: 1.5420 HD11 :: 0.8350 HD12 :: 0.8350 HD13 :: 0.8350 HD21 :: 0.7920 HD22 :: 0.7920 HD23 :: 0.7920 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 :: 119.7080 Ave N Shift Values>> N :: 121.86(3.9) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 170.6440 CA :: 45.8330 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7580 HA2 :: 3.6530 HA3 :: 4.6300 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.4890 Ave N Shift Values>> N :: 109.67(3.87) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 176.6680 CA :: 58.6850 CB :: 41.0100 CG1 :: 27.7980 CG2 :: 17.3770 CD1 :: 12.6200 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 :: 8.4570 HA :: 5.0480 HB :: 1.7750 HG12 :: 1.5790 HG13 :: 1.1710 HG21 :: 0.8220 HG22 :: 0.8220 HG23 :: 0.8220 HD11 :: 0.8640 HD12 :: 0.8640 HD13 :: 0.8640 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 :: 119.6600 Ave N Shift Values>> N :: 121.46(4.28) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.6310 CA :: 62.4880 CB :: 36.2590 CG1 :: 27.6840 CG2 :: 18.3970 CD1 :: 12.5070 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 :: 8.7060 HA :: 4.1470 HB :: 2.3120 HG12 :: 1.6960 HG13 :: 1.1640 HG21 :: 0.7380 HG22 :: 0.7380 HG23 :: 0.7380 HD11 :: 0.8550 HD12 :: 0.8550 HD13 :: 0.8550 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 :: 125.1540 Ave N Shift Values>> N :: 121.46(4.28) 1.Y9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> Y 0.99 C Shift Assignments>> C :: 175.0400 CA :: 59.6930 CB :: 41.7400 CD1 :: 132.8470 CD2 :: 132.8470 CE1 :: 118.7720 CE2 :: 118.7720 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.9400 HA :: 4.5760 HB2 :: 2.9200 HB3 :: 2.9990 HD1 :: 7.1530 HD2 :: 7.1530 HE1 :: 6.8430 HE2 :: 6.8430 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 :: 134.3900(S) Ave N Shift Values>> N :: 120.52(4.2) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 E 0.4 Q 0.01 C Shift Assignments>> C :: 173.7130 CA :: 55.9140 CB :: 34.0850 CG :: 36.6530 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 :: 7.7820 HA :: 4.4370 HB2 :: 1.8290 HB3 :: 2.0010 HG2 :: 2.0830 HG3 :: 2.1910 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.1990 Ave N Shift Values>> N :: 120.67(3.48) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.7990 CA :: 60.9530 CB :: 39.9750 CG1 :: 27.8610 CG2 :: 17.3490 CD1 :: 13.3350 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 :: 8.8780 HA :: 4.4470 HB :: 1.6570 HG12 :: 1.4510 HG13 :: 0.8550 HG21 :: 0.8190 HG22 :: 0.8190 HG23 :: 0.8190 HD11 :: 0.6970 HD12 :: 0.6970 HD13 :: 0.6970 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.6230 Ave N Shift Values>> N :: 121.46(4.28) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 M 0.33 K 0.22 E 0.02 R 0.01 C Shift Assignments>> C :: 175.6460 CA :: 54.2000 CB :: 30.4030 CG :: 33.2130 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 :: 8.6510 HA :: 4.5760 HB2 :: 1.8080 HB3 :: 1.9470 HG2 :: 2.2090 HG3 :: 2.1680 HE21 :: 7.5170 HE22 :: 6.6160 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 :: 127.4350 NE2 :: 110.9100 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 A 0.05 L 0.04 N 0.01 C Shift Assignments>> C :: 174.7500 CA :: 47.6140 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9780 HA2 :: 3.6100 HA3 :: 3.9320 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.9560 Ave N Shift Values>> N :: 109.67(3.87) 1.M14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 A 0.22 C Shift Assignments>> C :: 175.8010 CA :: 55.0860 CB :: 31.4800 CG :: 32.4580 CE :: 16.6600 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.9160 HA :: 4.6510 HB2 :: 1.9790 HB3 :: 2.4300 HG2 :: 2.5660 HG3 :: 2.7550 HE1 :: 2.0820 HE2 :: 2.0820 HE3 :: 2.0820 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 :: 125.2770 Ave N Shift Values>> N :: 120.09(3.57) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.15 G 0.01 C Shift Assignments>> C :: 173.7390 CA :: 55.2850 CB :: 35.4920 CG :: 24.8530 CD :: 29.2710 CE :: 41.8420 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 :: 8.1610 HA :: 4.8870 HB2 :: 1.4860 HB3 :: 1.8180 HG2 :: 1.1450 HG3 :: 0.9580 HD2 :: 1.3240 HD3 :: 1.3240 HE2 :: 2.5590 HE3 :: 2.3870 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 :: 121.7790 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 L 0.13 C Shift Assignments>> C :: 174.5960 CA :: 50.2240 CB :: 21.7950 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0690 HA :: 4.9840 HB1 :: 1.0890 HB2 :: 1.0890 HB3 :: 1.0890 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.1510 Ave N Shift Values>> N :: 123.23(3.54) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.0410 CA :: 61.6020 CB :: 32.8260 CG1 :: 20.2090 CG2 :: 21.5680 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 :: 9.0110 HA :: 4.7160 HB :: 2.0970 HG11 :: 0.8680 HG12 :: 0.8680 HG13 :: 0.8680 HG21 :: 0.9750 HG22 :: 0.9750 HG23 :: 0.9750 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.5480 Ave N Shift Values>> N :: 121.14(4.54) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.0730 CA :: 59.1970 CB :: 35.0520 CG1 :: 21.2280 CG2 :: 21.2280 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 :: 9.6600 HA :: 4.9950 HB :: 1.5500 HG11 :: 0.5240 HG12 :: 0.5240 HG13 :: 0.5240 HG21 :: 0.5240 HG22 :: 0.5240 HG23 :: 0.5240 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.8980 Ave N Shift Values>> N :: 121.14(4.54) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 G 0.34 L 0.14 R 0.02 C Shift Assignments>> C :: 178.2130 CA :: 52.8570 CB :: 43.9430 CG :: 25.8720 CD1 :: 21.4550 CD2 :: 25.9780 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 :: 8.8390 HA :: 4.8340 HB2 :: 0.7880 HB3 :: 1.7110 HG :: 1.2390 HD11 :: -0.1660 HD12 :: -0.1660 HD13 :: -0.1660 HD21 :: 0.6340 HD22 :: 0.6340 HD23 :: 0.6340 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.4810 Ave N Shift Values>> N :: 121.86(3.9) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.1570 CA :: 60.9840 CB :: 71.7440 CG2 :: 22.1340 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.3330 HA :: 4.9290 HB :: 5.0230 HG21 :: 1.4180 HG22 :: 1.4180 HG23 :: 1.4180 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.5260 Ave N Shift Values>> N :: 115.42(4.75) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.3640 CA :: 61.2010 CB :: 62.7640 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.1330 HA :: 4.2010 HB2 :: 3.9220 HB3 :: 4.0290 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 :: 117.3920 Ave N Shift Values>> N :: 116.28(3.52) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.67 I 0.16 K 0.09 M 0.03 Q 0.02 C Shift Assignments>> C :: 176.6860 CA :: 56.8500 CB :: 29.2620 CG :: 37.0850 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 :: 7.8910 HA :: 4.3610 HB2 :: 1.9040 HB3 :: 2.2150 HG2 :: 2.3590 HG3 :: 2.2440 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 :: 117.9050 Ave N Shift Values>> N :: 120.67(3.48) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.4410 CA :: 45.5800 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0740 HA2 :: 3.3860 HA3 :: 4.0860 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.0710 Ave N Shift Values>> N :: 109.67(3.87) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 E 0.41 Q 0.06 C Shift Assignments>> C :: 174.8110 CA :: 54.6780 CB :: 31.9310 CG :: 36.0660 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 :: 7.1450 HA :: 4.3940 HB2 :: 1.8500 HB3 :: 1.9470 HG2 :: 2.0900 HG3 :: 2.0900 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 :: 118.7030 Ave N Shift Values>> N :: 120.67(3.48) 1.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.0040 CA :: 57.1830 CB :: 40.2720 CD1 :: 131.3480 CD2 :: 131.3480 CE1 :: 131.4940 CE2 :: 131.4940 CZ :: 129.7200 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 :: 8.6990 HA :: 5.5740 HB2 :: 2.5690 HB3 :: 2.8060 HD1 :: 6.9320 HD2 :: 6.9320 HE1 :: 6.5660 HE2 :: 6.5660 HZ :: 6.7960 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.5450 Ave N Shift Values>> N :: 120.45(4.18) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.26 A 0.01 C Shift Assignments>> C :: 174.5160 CA :: 52.9990 CB :: 46.0030 CG :: 27.1180 CD1 :: 24.5130 CD2 :: 26.0000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.1880 HA :: 4.8010 HB2 :: 1.3350 HB3 :: 1.3350 HG :: 1.4860 HD11 :: 0.8970 HD12 :: 0.8970 HD13 :: 0.8970 HD21 :: 0.7920 HD22 :: 0.7920 HD23 :: 0.7920 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 :: 123.6660 Ave N Shift Values>> N :: 121.86(3.9) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.0250 CA :: 60.2000 CB :: 38.0080 CG1 :: 28.0240 CG2 :: 18.9630 CD1 :: 13.1870 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 :: 8.5510 HA :: 4.9520 HB :: 1.9450 HG12 :: 1.6130 HG13 :: 1.0940 HG21 :: 0.8200 HG22 :: 0.8200 HG23 :: 0.8200 HD11 :: 0.8220 HD12 :: 0.8220 HD13 :: 0.8220 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 :: 121.3380 Ave N Shift Values>> N :: 121.46(4.28) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 G 0.14 A 0.04 C Shift Assignments>> C :: 175.4770 CA :: 58.5150 CB :: 42.5000 CG1 :: 25.3060 CG2 :: 16.6980 CD1 :: 13.9790 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 :: 9.1960 HA :: 5.3160 HB :: 1.6680 HG12 :: 1.0770 HG13 :: 0.6850 HG21 :: 0.1580 HG22 :: 0.1580 HG23 :: 0.1580 HD11 :: 0.3280 HD12 :: 0.3280 HD13 :: 0.3280 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 :: 119.7790 Ave N Shift Values>> N :: 121.46(4.28) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 G 0.15 K 0.08 C Shift Assignments>> C :: 175.5750 CA :: 57.1910 CB :: 30.7810 CG :: 27.5710 CD :: 43.6550 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 :: 8.2490 HA :: 4.2760 HB2 :: 1.8180 HB3 :: 1.8180 HG2 :: 1.7540 HG3 :: 1.6540 HD2 :: 3.2650 HD3 :: 3.2650 HE :: 7.3110 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 :: 120.1460 NE :: 84.3940 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 R 0.39 C Shift Assignments>> C :: 175.6130 CA :: 56.1140 CB :: 31.5350 CG :: 27.0050 CD :: 44.7870 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 :: 7.9310 HA :: 4.2330 HB2 :: 1.3140 HB3 :: 1.5500 HG2 :: 1.5850 HG3 :: 1.4270 HD2 :: 3.0610 HD3 :: 3.0610 HE :: 7.2610 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 :: 124.4900 NE :: 84.1690 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 G 0.24 K 0.18 C Shift Assignments>> C :: 177.4230 CA :: 54.5400 CB :: 33.7600 CG :: 27.6160 CD :: 43.5410 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 :: 8.1640 HA :: 4.7580 HB2 :: 1.6790 HB3 :: 2.1290 HG2 :: 1.6980 HG3 :: 1.7480 HD2 :: 3.2140 HD3 :: 3.3760 HE :: 7.7890 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 :: 126.0590 NE :: 84.8930 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 R 0.09 G 0.01 C Shift Assignments>> C :: 176.6650 CA :: 59.2010 CB :: 32.7240 CG :: 24.5130 CD :: 29.6100 CE :: 42.0690 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 :: 8.7120 HA :: 3.9750 HB2 :: 1.8090 HB3 :: 1.8690 HG2 :: 1.4520 HG3 :: 1.4520 HD2 :: 1.6920 HD3 :: 1.6920 HE2 :: 3.0090 HE3 :: 3.0090 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 :: 121.9010 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.26 F 0.14 Y 0.14 L 0.1 I 0.01 C Shift Assignments>> C :: 175.8360 CA :: 54.5580 CB :: 39.4180 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 :: 8.5900 HA :: 4.5120 HB2 :: 2.7520 HB3 :: 2.8140 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.6050 Ave N Shift Values>> N :: 120.65(3.86) 1.M34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 A 0.18 C Shift Assignments>> C :: 175.8040 CA :: 57.5420 CB :: 34.3160 CG :: 34.3200 CE :: 18.0300 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.3780 HA :: 4.5120 HB2 :: 1.7220 HB3 :: 1.9260 HG2 :: 2.4220 HG3 :: 2.7800 HE1 :: 2.1110 HE2 :: 2.1110 HE3 :: 2.1110 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 :: 118.0370 Ave N Shift Values>> N :: 120.09(3.57) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.16 G 0.04 A 0.02 C Shift Assignments>> C :: 174.9920 CA :: 54.6800 CB :: 36.3700 CG :: 24.2860 CD :: 29.1570 CE :: 42.2300 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 :: 7.6520 HA :: 4.5010 HB2 :: 1.5070 HB3 :: 1.7650 HG2 :: 1.3660 HG3 :: 1.3660 HD2 :: 1.6470 HD3 :: 1.6470 HE2 :: 2.9690 HE3 :: 2.9690 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.9560 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.2660 CA :: 65.4220 CB :: 31.4380 CG1 :: 23.0300 CG2 :: 21.3800 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 :: 8.5490 HA :: 3.2990 HB :: 1.8720 HG11 :: 0.9340 HG12 :: 0.9340 HG13 :: 0.9340 HG21 :: 0.8560 HG22 :: 0.8560 HG23 :: 0.8560 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.5070 Ave N Shift Values>> N :: 121.14(4.54) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.2 R 0.07 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.8890 CA :: 44.7430 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.1760 HA2 :: 3.5460 HA3 :: 4.3940 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.4550 Ave N Shift Values>> N :: 109.67(3.87) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 Q 0.35 E 0.14 K 0.11 C Shift Assignments>> C :: 175.5200 CA :: 55.5900 CB :: 30.9430 CG :: 34.1400 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.6210 HA :: 4.3610 HB2 :: 2.1620 HB3 :: 2.1620 HG2 :: 2.4140 HG3 :: 2.4140 HE21 :: 7.5590 HE22 :: 6.8210 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 :: 119.4510 NE2 :: 111.0200 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 Q 0.28 K 0.18 M 0.16 C Shift Assignments>> C :: 175.7080 CA :: 55.5640 CB :: 30.0460 CG :: 35.1600 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 :: 8.6920 HA :: 5.1020 HB2 :: 1.9830 HB3 :: 2.1390 HG2 :: 2.2180 HG3 :: 2.3030 HE21 :: 7.5920 HE22 :: 6.9320 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.2660 NE2 :: 112.7100 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 A 0.04 C Shift Assignments>> C :: 173.1690 CA :: 59.2880 CB :: 35.7900 CG1 :: 19.5500 CG2 :: 21.7500 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 :: 9.2500 HA :: 4.8010 HB :: 2.1400 HG11 :: 0.8390 HG12 :: 0.8390 HG13 :: 0.8390 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 :: 121.7890 Ave N Shift Values>> N :: 121.14(4.54) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.4150 CA :: 56.0350 CB :: 64.9930 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3520 HA :: 5.5850 HB2 :: 3.7500 HB3 :: 3.7500 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 :: 117.2750 Ave N Shift Values>> N :: 116.28(3.52) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 172.3990 CA :: 56.1190 CB :: 40.3000 CD1 :: 132.8470 CD2 :: 132.8470 CE1 :: 129.7420 CE2 :: 129.7420 CZ :: 130.1300 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 :: 8.6010 HA :: 4.9950 HB2 :: 3.2640 HB3 :: 2.9240 HD1 :: 6.9220 HD2 :: 6.9220 HE1 :: 6.8000 HE2 :: 6.8000 HZ :: 6.8300 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.7090 Ave N Shift Values>> N :: 120.45(4.18) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 E 0.33 Q 0.04 C Shift Assignments>> C :: 177.9910 CA :: 54.2350 CB :: 32.5240 CG :: 36.0660 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 :: 9.2300 HA :: 4.7160 HB2 :: 1.8180 HB3 :: 2.3760 HG2 :: 2.2960 HG3 :: 2.2750 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.2230 Ave N Shift Values>> N :: 120.67(3.48) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.24 E 0.12 N 0.11 I 0.07 D 0.06 M 0.03 L 0.02 C Shift Assignments>> C :: 178.3650 CA :: 56.5710 CB :: 37.9950 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 :: 8.9970 HA :: 4.4900 HB2 :: 2.7950 HB3 :: 2.7950 HD21 :: 7.6750 HD22 :: 6.9370 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 :: 120.8850 ND2 :: 112.2000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.37 K 0.08 Q 0.02 C Shift Assignments>> C :: 176.4970 CA :: 58.7760 CB :: 28.7630 CG :: 36.8590 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 :: 8.9540 HA :: 4.1580 HB2 :: 2.0800 HB3 :: 2.0350 HG2 :: 2.2860 HG3 :: 2.4480 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 :: 117.1440 Ave N Shift Values>> N :: 120.67(3.48) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 K 0.22 D 0.19 F 0.1 R 0.1 Y 0.07 N 0.02 C Shift Assignments>> C :: 175.9170 CA :: 55.5290 CB :: 42.0060 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 :: 8.0500 HA :: 4.6080 HB2 :: 3.0520 HB3 :: 3.1490 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.7550 Ave N Shift Values>> N :: 120.65(3.86) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.6570 CA :: 62.5710 CB :: 38.7180 CG1 :: 28.1370 CG2 :: 17.4910 CD1 :: 14.4320 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 :: 7.4800 HA :: 4.0720 HB :: 1.9470 HG12 :: 1.9310 HG13 :: 0.9580 HG21 :: 0.9760 HG22 :: 0.9760 HG23 :: 0.9760 HD11 :: 1.0610 HD12 :: 1.0610 HD13 :: 1.0610 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 :: 119.6380 Ave N Shift Values>> N :: 121.46(4.28) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.2650 CA :: 58.7570 CB :: 39.1240 CD1 :: 132.8470 CD2 :: 132.8470 CE1 :: 118.3980 CE2 :: 118.3980 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.1080 HA :: 4.4370 HB2 :: 2.6550 HB3 :: 2.8910 HD1 :: 6.9840 HD2 :: 6.9840 HE1 :: 6.7540 HE2 :: 6.7540 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 128.6490 Ave N Shift Values>> N :: 120.52(4.2) 1.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.26 L 0.08 F 0.07 Y 0.06 HN Overlap>> 1.V50 1.V50 C Shift Assignments>> C :: 174.4940 CA :: 52.9100 CB :: 39.4230 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 :: 8.2420 HA :: 4.7260 HB2 :: 2.6660 HB3 :: 2.8060 HD21 :: 7.5310 HD22 :: 6.8250 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 :: 120.7730 ND2 :: 112.5830 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.N49 1.N49 C Shift Assignments>> C :: 176.1110 CA :: 62.4730 CB :: 32.6780 CG1 :: 20.8890 CG2 :: 20.8890 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 :: 8.1370 HA :: 4.1040 HB :: 2.0540 HG11 :: 0.9240 HG12 :: 0.9240 HG13 :: 0.9240 HG21 :: 0.9240 HG22 :: 0.9240 HG23 :: 0.9240 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 :: 120.8140 Ave N Shift Values>> N :: 121.14(4.54) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 G 0.16 K 0.06 C Shift Assignments>> C :: 176.6780 CA :: 56.5680 CB :: 30.9520 CG :: 27.2310 CD :: 43.6550 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 :: 8.4400 HA :: 4.3080 HB2 :: 1.7320 HB3 :: 1.9040 HG2 :: 1.6470 HG3 :: 1.6470 HD2 :: 3.1610 HD3 :: 3.1610 HE :: 7.1780 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 :: 124.8610 NE :: 84.3200 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 173.0480 CA :: 45.2920 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3960 HA2 :: 3.9430 HA3 :: 3.9430 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.1790 Ave N Shift Values>> N :: 109.67(3.87) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.18 G 0.01 C Shift Assignments>> C :: 171.4040 CA :: 57.5970 CB :: 33.5420 CG :: 24.8530 CD :: 29.1570 CE :: 42.2950 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 :: 7.8480 HA :: 4.1680 HB2 :: 1.7010 HB3 :: 1.8290 HG2 :: 1.3660 HG3 :: 1.3660 HD2 :: 1.6640 HD3 :: 1.6640 HE2 :: 2.9920 HE3 :: 2.9920 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 :: 125.9150 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 51 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 52 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 53 #Suspicious: 0 C Shift Results: #Consistent: 243 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 402 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 61 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.R4 HB2 = 0.4450(S), Expected = 1.79, Std = 0.2700, ChiSquare = 6.3099e-07 1.Y9 N = 134.3900(S), Expected = 120.52, Std = 4.2000, ChiSquare = 9.5868e-04