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 0.5 C 0.36 A 0.13 C Shift Assignments>> C :: 175.3770 CA :: 55.5900 CB :: 32.6300 CG :: 32.2200 CE :: 17.1000 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 :: 4.4460 HB2 :: 2.0040 HB3 :: 2.0040 HG2 :: 2.5590 HG3 :: 2.5590 HE1 :: 2.0590 HE2 :: 2.0590 HE3 :: 2.0590 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 0.44 D 0.21 C 0.08 F 0.08 Y 0.08 L 0.06 HN Overlap>> 1.R29 2.I42 1.R29 2.I42 C Shift Assignments>> C :: 174.5260 CA :: 53.5080 CB :: 39.1120 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 :: 8.4130 HA :: 4.6050 HB2 :: 2.6790 HB3 :: 2.6790 HD21 :: 7.4850 HD22 :: 6.8270 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 :: 120.2550 ND2 :: 112.5600 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 0.53 C 0.32 K 0.07 G 0.06 C Shift Assignments>> C :: 174.1300 CA :: 54.8430 CB :: 31.1300 CG :: 26.7440 CD :: 43.1790 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 :: 8.1470 HA :: 4.1320 HB2 :: 0.2750(S) HB3 :: 0.9410 HG2 :: 1.2400 HG3 :: 1.2400 HD2 :: 2.8620 HD3 :: 2.8620 HE :: 7.3900 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 :: 120.7410 NE :: 84.1860 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 0.43 L 0.33 C 0.22 A 0.01 C Shift Assignments>> C :: 176.9760 CA :: 53.7090 CB :: 46.2970 CG :: 26.8070 CD1 :: 24.4560 CD2 :: 24.4560 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 :: 7.8950 HA :: 5.2880 HB2 :: 1.3450 HB3 :: 1.6360 HG :: 1.5500 HD11 :: 0.7810 HD12 :: 0.7810 HD13 :: 0.7810 HD21 :: 0.7330 HD22 :: 0.7330 HD23 :: 0.7330 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.3060 Ave N Shift Values>> N :: 121.86(3.9) 1.G6 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 170.2980 CA :: 45.9010 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.1390 HA2 :: 5.3550(S) HA3 :: 3.3660 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.5120 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>> C 0.59 I 0.38 G 0.01 HN Overlap>> 1.N44 1.N44 C Shift Assignments>> C :: 177.0000 CA :: 59.6010 CB :: 42.0720 CG1 :: 28.1580 CG2 :: 17.4030 CD1 :: 15.1900 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 :: 9.0780 HA :: 4.7860 HB :: 1.4720 HG12 :: 1.6030 HG13 :: 0.4520 HG21 :: 0.7270 HG22 :: 0.7270 HG23 :: 0.7270 HD11 :: 0.1310 HD12 :: 0.1310 HD13 :: 0.1310 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 :: 121.1890 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 0.72 C 0.27 HN Overlap>> 2.K33 2.K33 C Shift Assignments>> C :: 176.0500 CA :: 62.4580 CB :: 37.0500 CG1 :: 27.5850 CG2 :: 18.8070 CD1 :: 13.7090 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 :: 8.6320 HA :: 4.1100 HB :: 2.2260 HG12 :: 1.7470 HG13 :: 0.8950 HG21 :: 0.7270 HG22 :: 0.7270 HG23 :: 0.7270 HD11 :: 0.8630 HD12 :: 0.8630 HD13 :: 0.8630 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 :: 124.8310 Ave N Shift Values>> N :: 121.46(4.28) 1.Y9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 Y 0.16 C Shift Assignments>> C :: 175.0100 CA :: 57.8900 CB :: 39.3420 CD1 :: 130.2070 CD2 :: 130.2070 CE1 :: 116.9390 CE2 :: 116.9390 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 :: 9.5420 HA :: 4.7350 HB2 :: 2.3570 HB3 :: 2.2780 HD1 :: 6.6540 HD2 :: 6.6540 HE1 :: 6.4050 HE2 :: 6.4050 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 :: 132.7190 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>> C 0.75 M 0.13 E 0.11 C Shift Assignments>> C :: 173.6240 CA :: 56.2760 CB :: 33.7640 CG :: 37.1430 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 :: 7.4280 HA :: 4.4320 HB2 :: 1.6210 HB3 :: 2.2200 HG2 :: 2.2870 HG3 :: 2.0510 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 :: 116.4710 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 0.63 C 0.36 HN Overlap>> 2.E52 2.E52 C Shift Assignments>> C :: 174.8990 CA :: 61.0400 CB :: 40.3080 CG1 :: 28.2930 CG2 :: 17.3910 CD1 :: 13.6390 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 :: 8.8300 HA :: 4.5310 HB :: 1.6230 HG12 :: 1.4670 HG13 :: 0.8090 HG21 :: 0.8190 HG22 :: 0.8190 HG23 :: 0.8190 HD11 :: 0.7390 HD12 :: 0.7390 HD13 :: 0.7390 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.3540 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 0.3 M 0.28 C 0.23 K 0.13 E 0.03 C Shift Assignments>> C :: 175.6380 CA :: 54.4650 CB :: 30.6260 CG :: 33.4610 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 :: 8.7090 HA :: 4.5610 HB2 :: 1.8330 HB3 :: 1.9780 HG2 :: 2.2400 HG3 :: 2.2400 HE21 :: 7.7120 HE22 :: 6.6020 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 :: 127.5620 NE2 :: 111.2200 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 0.78 C 0.09 L 0.04 P 0.03 A 0.03 C Shift Assignments>> C :: 174.8050 CA :: 47.5130 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.1110 HA2 :: 3.9360 HA3 :: 3.6620 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.1180 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 0.5 C 0.33 A 0.16 C Shift Assignments>> C :: 175.8630 CA :: 54.7460 CB :: 31.0430 CG :: 32.3990 CE :: 16.5300 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 :: 8.9580 HA :: 4.7190 HB2 :: 1.9740 HB3 :: 2.4980 HG2 :: 2.7850 HG3 :: 2.5650 HE1 :: 2.1050 HE2 :: 2.1050 HE3 :: 2.1050 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 :: 125.8060 Ave N Shift Values>> N :: 120.09(3.57) 1.K15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 K 0.43 R 0.09 C Shift Assignments>> C :: 173.9350 CA :: 55.5680 CB :: 35.9750 CG :: 24.9660 CD :: 29.2350 CE :: 41.6900 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.1580 HA :: 5.0230 HB2 :: 1.5220 HB3 :: 1.8360 HG2 :: 1.1900 HG3 :: 0.9540 HD2 :: 1.2970 HD3 :: 1.1920 HE2 :: 2.4430 HE3 :: 2.2440(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.2740 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 0.78 L 0.12 C 0.08 C Shift Assignments>> C :: 175.2490 CA :: 50.0200 CB :: 21.8460 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0910 HA :: 5.2510 HB1 :: 1.0630 HB2 :: 1.0630 HB3 :: 1.0630 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.9210 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 0.56 C 0.43 C Shift Assignments>> C :: 176.4170 CA :: 61.0620 CB :: 33.0410 CG1 :: 20.4470 CG2 :: 20.8630 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 :: 8.9080 HA :: 4.8400 HB :: 1.7150 HG11 :: 0.6460 HG12 :: 0.6460 HG13 :: 0.6460 HG21 :: 0.8320 HG22 :: 0.8320 HG23 :: 0.8320 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 :: 121.8480 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>> C 0.76 V 0.16 A 0.07 C Shift Assignments>> C :: 173.9500 CA :: 57.4750 CB :: 35.0580 CG1 :: 21.3550 CG2 :: 19.4440 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 :: 9.1630 HA :: 5.4280 HB :: 1.4870 HG11 :: 0.4470 HG12 :: 0.4470 HG13 :: 0.4470 HG21 :: 0.4210 HG22 :: 0.4210 HG23 :: 0.4210 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 :: 120.5190 Ave N Shift Values>> N :: 121.14(4.54) 1.L19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.42 L 0.17 C 0.17 G 0.15 R 0.07 C Shift Assignments>> C :: 177.3060 CA :: 52.9650 CB :: 43.4600 CG :: 26.8070 CD1 :: 21.3550 CD2 :: 25.8860 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 :: 7.9450 HA :: 4.6290 HB2 :: 1.1820 HB3 :: 0.2540(S) HG :: 1.3060 HD11 :: -0.0720 HD12 :: -0.0720 HD13 :: -0.0720 HD21 :: 0.6370 HD22 :: 0.6370 HD23 :: 0.6370 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.8320 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>> C 0.55 T 0.43 C Shift Assignments>> C :: 176.2450 CA :: 59.9860 CB :: 72.8550 CG2 :: 22.4170 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 :: 9.2110 HA :: 5.5790 HB :: 4.9000 HG21 :: 1.3100 HG22 :: 1.3100 HG23 :: 1.3100 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 :: 115.4060 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 :: 174.3850 CA :: 59.7220 CB :: 62.2760 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3750 HA :: 3.6130 HB2 :: 3.8370 HB3 :: 3.0210 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.5530 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 0.41 C 0.41 K 0.08 I 0.03 Q 0.03 M 0.02 C Shift Assignments>> C :: 174.9530 CA :: 54.2640 CB :: 28.9380 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 :: 7.5110 HA :: 3.9840 HB2 :: 2.0330 HB3 :: 2.0330 HG2 :: 2.1110 HG3 :: 2.1110 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 :: 117.8260 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 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.5420 CA :: 46.0720 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9130 HA2 :: 3.2080 HA3 :: 3.4320 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.0460 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>> C 0.31 E 0.29 M 0.29 Q 0.07 K 0.01 C Shift Assignments>> C :: 175.2550 CA :: 54.7810 CB :: 31.3860 CG :: 35.8200 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 :: 7.4720 HA :: 4.3670 HB2 :: 1.8420 HB3 :: 1.8420 HG2 :: 1.9100 HG3 :: 1.7930 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 :: 115.0960 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 0.47 Y 0.35 C 0.16 C Shift Assignments>> C :: 174.4640 CA :: 57.4400 CB :: 40.9700 CD1 :: 131.5400 CD2 :: 131.5400 CE1 :: 130.9600 CE2 :: 130.9600 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 :: 6.2080 HA :: 5.7070 HB2 :: 2.4190 HB3 :: 2.5430 HD1 :: 6.8200 HD2 :: 6.8200 HE1 :: 6.7920 HE2 :: 6.7920 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.0260 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 0.4 C 0.32 L 0.19 A 0.07 C Shift Assignments>> C :: 174.3640 CA :: 53.0900 CB :: 46.9770 CG :: 26.5400 CD1 :: 26.5400 CD2 :: 23.6210 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 :: 8.7770 HA :: 4.7950 HB2 :: 1.2190 HB3 :: 1.4310 HG :: 1.3000 HD11 :: 0.7820 HD12 :: 0.7820 HD13 :: 0.7820 HD21 :: 0.9370 HD22 :: 0.9370 HD23 :: 0.9370 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 :: 121.8570 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 0.56 C 0.43 C Shift Assignments>> C :: 175.4990 CA :: 60.2100 CB :: 38.6090 CG1 :: 28.6470 CG2 :: 18.8780 CD1 :: 13.5680 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 :: 9.1670 HA :: 5.0000 HB :: 1.8520 HG12 :: 1.7710 HG13 :: 0.9250 HG21 :: 0.7760 HG22 :: 0.7760 HG23 :: 0.7760 HD11 :: 0.8350 HD12 :: 0.8350 HD13 :: 0.8350 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 :: 121.0490 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>> C 0.69 I 0.18 G 0.09 A 0.02 HN Overlap>> 1.E43 1.E43 C Shift Assignments>> C :: 175.7870 CA :: 58.0600 CB :: 42.8770 CG1 :: 25.3610 CG2 :: 16.7300 CD1 :: 13.7870 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 :: 9.2240 HA :: 5.4190 HB :: 1.4470 HG12 :: 0.5460 HG13 :: 1.0090 HG21 :: -0.0460 HG22 :: -0.0460 HG23 :: -0.0460 HD11 :: 0.1500 HD12 :: 0.1500 HD13 :: 0.1500 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 :: 118.9850 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 0.45 C 0.41 G 0.09 K 0.03 HN Overlap>> 1.N3 1.N3 2.I42 2.I42 C Shift Assignments>> C :: 175.1600 CA :: 57.0720 CB :: 30.9470 CG :: 26.9200 CD :: 43.6140 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 :: 8.3250 HA :: 4.3500 HB2 :: 1.8200 HB3 :: 1.8200 HG2 :: 1.6460 HG3 :: 1.6460 HD2 :: 3.2600 HD3 :: 3.2600 HE :: 7.6190 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 :: 120.2490 NE :: 84.5800 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>> C 0.38 G 0.32 R 0.28 C Shift Assignments>> C :: 175.4950 CA :: 55.4120 CB :: 31.6860 CG :: 26.8560 CD :: 44.5760 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 :: 7.9430 HA :: 4.3530 HB2 :: 1.3820 HB3 :: 1.5230 HG2 :: 1.6010 HG3 :: 1.4300 HD2 :: 3.0550 HD3 :: 3.0550 HE :: 7.2320 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 :: 124.7020 NE :: 84.2000 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>> C 0.41 R 0.33 G 0.15 K 0.09 C Shift Assignments>> C :: 177.5930 CA :: 54.6620 CB :: 33.5350 CG :: 27.7400 CD :: 43.6500 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 :: 8.1980 HA :: 4.7640 HB2 :: 1.7140 HB3 :: 2.1070 HG2 :: 1.7760 HG3 :: 1.6420 HD2 :: 3.2440 HD3 :: 3.4100 HE :: 7.7490 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 :: 125.5520 NE :: 84.6100 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>> C 0.46 K 0.44 R 0.07 HN Overlap>> 2.M54 2.M54 C Shift Assignments>> C :: 176.6090 CA :: 59.1960 CB :: 32.7540 CG :: 24.4700 CD :: 29.2840 CE :: 42.1690 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 :: 8.7130 HA :: 3.9720 HB2 :: 1.8910 HB3 :: 1.8110 HG2 :: 1.4570 HG3 :: 1.4570 HD2 :: 1.6990 HD3 :: 1.6990 HE2 :: 3.0170 HE3 :: 3.0170 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 :: 121.5250 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>> D 0.28 N 0.21 L 0.13 F 0.13 Y 0.11 C 0.08 K 0.01 C Shift Assignments>> C :: 175.7890 CA :: 54.6030 CB :: 39.9790 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 :: 8.5770 HA :: 4.5560 HB2 :: 2.8310 HB3 :: 2.7650 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 :: 116.5720 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>> C 0.71 M 0.23 A 0.04 C Shift Assignments>> C :: 175.8120 CA :: 57.6660 CB :: 34.0160 CG :: 34.4520 CE :: 17.7800 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 :: 7.3990 HA :: 4.4840 HB2 :: 1.8940 HB3 :: 1.7550 HG2 :: 2.7850 HG3 :: 2.4460 HE1 :: 2.1120 HE2 :: 2.1120 HE3 :: 2.1120 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 :: 118.1100 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>> C 0.48 K 0.38 R 0.1 G 0.02 C Shift Assignments>> C :: 174.9770 CA :: 54.5160 CB :: 36.2810 CG :: 24.4700 CD :: 29.2840 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 :: 7.7880 HA :: 4.5520 HB2 :: 1.5200 HB3 :: 1.8590 HG2 :: 1.3840 HG3 :: 1.3840 HD2 :: 1.6630 HD3 :: 1.6630 HE2 :: 2.9820 HE3 :: 2.9820 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 :: 119.9150 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 0.85 C 0.14 C Shift Assignments>> C :: 176.4340 CA :: 65.6270 CB :: 31.6900 CG1 :: 22.0630 CG2 :: 23.1250 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 :: 8.4670 HA :: 3.3000 HB :: 1.8270 HG11 :: 0.9270 HG12 :: 0.9270 HG13 :: 0.9270 HG21 :: 0.9950 HG22 :: 0.9950 HG23 :: 0.9950 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 :: 120.7870 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 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.1130 CA :: 45.2470 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.5800 HA2 :: 3.2160 HA3 :: 4.5610 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.3810 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>> C 0.25 Q 0.25 M 0.25 E 0.14 K 0.08 C Shift Assignments>> C :: 175.8240 CA :: 55.9920 CB :: 30.8520 CG :: 34.3920 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 :: 7.5740 HA :: 4.4110 HB2 :: 2.1000 HB3 :: 2.2150 HG2 :: 2.4600 HG3 :: 2.3750 HE21 :: 7.6040 HE22 :: 6.8540 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.1970 NE2 :: 110.8700 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 0.32 C 0.3 M 0.25 Q 0.08 K 0.02 C Shift Assignments>> C :: 176.1200 CA :: 55.4920 CB :: 31.1910 CG :: 35.7970 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 :: 8.7730 HA :: 5.3360 HB2 :: 2.0140 HB3 :: 2.1330 HG2 :: 2.4160 HG3 :: 2.1550 HE21 :: 7.8900 HE22 :: 7.3100 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 :: 120.4520 NE2 :: 113.4800 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>> C 0.9 V 0.07 A 0.01 C Shift Assignments>> C :: 173.7390 CA :: 59.0700 CB :: 35.6310 CG1 :: 18.6650 CG2 :: 21.9220 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 :: 9.7780 HA :: 4.8320 HB :: 2.2140 HG11 :: 0.8360 HG12 :: 0.8360 HG13 :: 0.8360 HG21 :: 0.9440 HG22 :: 0.9440 HG23 :: 0.9440 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 :: 120.4760 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 :: 174.3090 CA :: 56.4900 CB :: 64.9200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4350 HA :: 5.5540 HB2 :: 3.7970 HB3 :: 3.7970 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 :: 117.1500 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 0.63 C 0.36 C Shift Assignments>> C :: 172.1630 CA :: 55.9950 CB :: 39.9100 CD1 :: 132.8770 CD2 :: 132.8770 CE1 :: 129.3500 CE2 :: 129.3500 CZ :: 129.5400 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 :: 8.1860 HA :: 4.9790 HB2 :: 3.3350 HB3 :: 2.9090 HD1 :: 6.9890 HD2 :: 6.9890 HE1 :: 6.7580 HE2 :: 6.7580 HZ :: 6.8640 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.4720 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>> C 0.44 M 0.36 E 0.17 Q 0.01 HN Overlap>> 1.I28 1.I28 C Shift Assignments>> C :: 178.1010 CA :: 53.9920 CB :: 32.7390 CG :: 36.1510 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 :: 9.2820 HA :: 4.7800 HB2 :: 1.8280 HB3 :: 2.4120 HG2 :: 2.3410 HG3 :: 2.2740 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 :: 118.9140 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 0.24 C 0.21 F 0.18 E 0.12 N 0.06 I 0.06 D 0.03 M 0.03 L 0.01 HN Overlap>> 1.I7 1.I7 C Shift Assignments>> C :: 178.7510 CA :: 56.7960 CB :: 37.8070 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.0930 HA :: 4.4410 HB2 :: 2.8000 HB3 :: 2.8000 HD21 :: 7.7050 HD22 :: 6.9650 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 :: 121.1880 ND2 :: 112.4000 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>> C 0.36 E 0.31 I 0.24 K 0.05 Q 0.01 C Shift Assignments>> C :: 176.4830 CA :: 59.0540 CB :: 28.8010 CG :: 36.7890 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 :: 9.0610 HA :: 4.1400 HB2 :: 2.0550 HB3 :: 2.0550 HG2 :: 2.4510 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 :: 117.2220 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 R 0.18 K 0.17 D 0.15 F 0.08 Y 0.05 C 0.04 N 0.01 HN Overlap>> 2.H34 2.H34 C Shift Assignments>> C :: 175.7390 CA :: 55.6060 CB :: 42.5020 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 :: 7.9980 HA :: 4.5800 HB2 :: 3.0180 HB3 :: 3.2060 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 :: 117.3810 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 0.76 C 0.23 C Shift Assignments>> C :: 176.6730 CA :: 62.9070 CB :: 39.3180 CG1 :: 28.2220 CG2 :: 17.4620 CD1 :: 14.8420 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 :: 7.4370 HA :: 4.0670 HB :: 1.9120 HG12 :: 2.0210 HG13 :: 0.8580 HG21 :: 1.0090 HG22 :: 1.0090 HG23 :: 1.0090 HD11 :: 1.1030 HD12 :: 1.1030 HD13 :: 1.1030 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.8260 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 0.63 C 0.36 C Shift Assignments>> C :: 175.0030 CA :: 57.9980 CB :: 38.8640 CD1 :: 132.8630 CD2 :: 132.8630 CE1 :: 118.2260 CE2 :: 118.2260 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 :: 9.1260 HA :: 4.4640 HB2 :: 2.6850 HB3 :: 2.7950 HD1 :: 6.9950 HD2 :: 6.9950 HE1 :: 6.7380 HE2 :: 6.7380 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 :: 129.5110 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 0.57 D 0.12 C 0.1 Y 0.06 F 0.06 L 0.03 M 0.01 E 0.01 C Shift Assignments>> C :: 175.3580 CA :: 52.9280 CB :: 38.3730 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 :: 8.6130 HA :: 4.7650 HB2 :: 2.7000 HB3 :: 2.8230 HD21 :: 7.5960 HD22 :: 6.8940 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 :: 123.2590 ND2 :: 112.6100 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 0.68 C 0.31 C Shift Assignments>> C :: 175.8220 CA :: 62.4590 CB :: 32.4430 CG1 :: 20.6000 CG2 :: 21.4000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.0970 HA :: 4.1150 HB :: 2.1190 HG11 :: 0.9310 HG12 :: 0.9310 HG13 :: 0.9310 HG21 :: 0.9310 HG22 :: 0.9310 HG23 :: 0.9310 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 :: 121.8190 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 0.47 C 0.38 G 0.09 K 0.04 C Shift Assignments>> C :: 176.5250 CA :: 56.1270 CB :: 31.1980 CG :: 27.2310 CD :: 43.5850 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 :: 8.2860 HA :: 4.3980 HB2 :: 1.8180 HB3 :: 1.9340 HG2 :: 1.6750 HG3 :: 1.6750 HD2 :: 3.2510 HD3 :: 3.2510 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 :: 122.8450 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 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 172.9310 CA :: 45.3490 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2370 HA2 :: 3.9350 HA3 :: 3.9860 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.9320 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 0.45 C 0.44 R 0.09 C Shift Assignments>> C :: 181.4700 CA :: 57.8260 CB :: 33.7300 CG :: 24.8240 CD :: 29.2140 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 :: 7.8790 HA :: 4.1780 HB2 :: 1.7310 HB3 :: 1.8370 HG2 :: 1.4050 HG3 :: 1.4050 HD2 :: 1.6940 HD3 :: 1.6940 HE2 :: 3.0170 HE3 :: 3.0170 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 :: 125.8620 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.4 C 0.34 M 0.14 Q 0.04 K 0.03 I 0.01 C Shift Assignments>> C :: 175.8250 CA :: 56.3200 CB :: 30.7000 CG :: 36.3000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> HA :: 4.4150 HB2 :: 2.1290 HB3 :: 1.9940 HG2 :: 2.3370 HG3 :: 2.3370 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) 2.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.13 F 0.1 N 0.07 Y 0.07 C 0.05 R 0.01 HN Overlap>> 2.C91 2.C91 C Shift Assignments>> C :: 174.9380 CA :: 54.6580 CB :: 41.2700 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 :: 8.5700 HA :: 4.6720 HB2 :: 2.6640 HB3 :: 2.6030 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 :: 121.4220 Ave N Shift Values>> N :: 120.65(3.86) 2.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.49 G 0.01 C Shift Assignments>> C :: 175.4740 CA :: 59.7130 CB :: 42.0230 CG1 :: 26.5230 CG2 :: 17.8160 CD1 :: 13.9220 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 :: 7.9350 HA :: 4.6540 HB :: 1.7860 HG12 :: 1.3530 HG13 :: 1.0890 HG21 :: 0.9180 HG22 :: 0.9180 HG23 :: 0.9180 HD11 :: 0.8880 HD12 :: 0.8880 HD13 :: 0.8880 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 :: 118.3130 Ave N Shift Values>> N :: 121.46(4.28) 2.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.31 M 0.24 Q 0.01 C Shift Assignments>> C :: 176.0070 CA :: 54.1410 CB :: 31.4160 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 :: 9.0100 HA :: 5.1790 HB2 :: 1.5690 HB3 :: 1.9490 HG2 :: 2.1120 HG3 :: 2.1120 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 :: 124.7520 Ave N Shift Values>> N :: 120.67(3.48) 2.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.19 C 0.01 C Shift Assignments>> C :: 179.1800 CA :: 52.6800 CB :: 18.2990 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.3110 HA :: 4.3090 HB1 :: 1.6030 HB2 :: 1.6030 HB3 :: 1.6030 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.4140 Ave N Shift Values>> N :: 123.23(3.54) 2.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.4 G 0.08 K 0.04 C Shift Assignments>> C :: 178.3060 CA :: 59.6770 CB :: 29.6690 CG :: 26.8070 CD :: 43.4430 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 :: 8.6260 HA :: 3.7190 HB2 :: 1.9790 HB3 :: 1.8130 HG2 :: 1.6510 HG3 :: 1.6110 HD2 :: 3.2380 HD3 :: 3.2380 HE :: 7.6300 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 :: 126.3620 NE :: 84.6050 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.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.36 E 0.2 K 0.02 C Shift Assignments>> C :: 179.1380 CA :: 60.2660 CB :: 28.5870 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 :: 9.8320 HA :: 4.0520 HB2 :: 2.0430 HB3 :: 2.0430 HG2 :: 2.4810 HG3 :: 2.3310 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 :: 117.7500 Ave N Shift Values>> N :: 120.67(3.48) 2.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 K 0.17 L 0.15 D 0.1 C 0.09 I 0.03 R 0.01 C Shift Assignments>> C :: 179.1210 CA :: 57.5280 CB :: 41.1660 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 :: 7.0930 HA :: 4.6070 HB2 :: 2.4840 HB3 :: 2.8380 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 :: 118.5090 Ave N Shift Values>> N :: 120.65(3.86) 2.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 177.7880 CA :: 65.6830 CB :: 37.5840 CG1 :: 29.7090 CG2 :: 17.7450 CD1 :: 13.7090 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 :: 7.5610 HA :: 3.5290 HB :: 1.8210 HG12 :: 1.4130 HG13 :: 0.3540 HG21 :: 0.8680 HG22 :: 0.8680 HG23 :: 0.8680 HD11 :: 0.4470 HD12 :: 0.4470 HD13 :: 0.4470 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 :: 124.8670 Ave N Shift Values>> N :: 121.46(4.28) 2.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.29 I 0.26 K 0.05 Q 0.01 C Shift Assignments>> C :: 179.7320 CA :: 59.4340 CB :: 28.7940 CG :: 36.6470 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 :: 8.5720 HA :: 4.0570 HB2 :: 2.1180 HB3 :: 2.0340 HG2 :: 2.4630 HG3 :: 2.3310 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 :: 119.3880 Ave N Shift Values>> N :: 120.67(3.48) 2.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.33 I 0.18 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.5520 CA :: 59.3670 CB :: 29.1720 CG :: 36.2220 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 :: 7.9610 HA :: 4.1770 HB2 :: 2.2720 HB3 :: 2.1960 HG2 :: 2.4210 HG3 :: 2.4210 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 :: 120.3070 Ave N Shift Values>> N :: 120.67(3.48) 2.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 L 0.37 R 0.02 C Shift Assignments>> C :: 178.5300 CA :: 58.3270 CB :: 40.9670 CG :: 27.2000 CD1 :: 24.3900 CD2 :: 26.8000 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 :: 7.6220 HA :: 4.1770 HB2 :: 1.7000 HB3 :: 1.7000 HG :: 1.6850 HD11 :: 0.9360 HD12 :: 0.9360 HD13 :: 0.9360 HD21 :: 1.0680 HD22 :: 1.0680 HD23 :: 1.0680 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.0370 Ave N Shift Values>> N :: 121.86(3.9) 2.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.42 R 0.06 G 0.01 C Shift Assignments>> C :: 179.3310 CA :: 60.5480 CB :: 32.4830 CG :: 25.0370 CD :: 29.4970 CE :: 42.1690 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 :: 8.4720 HA :: 3.5440 HB2 :: 2.0840 HB3 :: 1.9040 HG2 :: 1.2120 HG3 :: 1.2120 HD2 :: 1.7900 HD3 :: 1.7520 HE2 :: 2.9370 HE3 :: 2.9370 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 :: 119.1720 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 C Shift Assignments>> C :: 179.5620 CA :: 59.5700 CB :: 32.4390 CG :: 25.0370 CD :: 29.4260 CE :: 42.1690 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 :: 7.9050 HA :: 4.0870 HB2 :: 2.0100 HB3 :: 2.0100 HG2 :: 1.4680 HG3 :: 1.6570 HD2 :: 1.7440 HD3 :: 1.7440 HE2 :: 3.0000 HE3 :: 3.0000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.6800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 HN Overlap>> 2.L69 2.L58 2.L69 2.L58 C Shift Assignments>> C :: 180.1360 CA :: 59.4620 CB :: 32.8420 CG :: 25.0370 CD :: 29.4260 CE :: 42.1690 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 :: 8.2490 HA :: 4.1930 HB2 :: 1.9120 HB3 :: 2.1300 HG2 :: 1.6440 HG3 :: 1.4540 HD2 :: 1.8020 HD3 :: 1.8020 HE2 :: 3.0580 HE3 :: 3.0580 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.0430 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 L 0.39 C Shift Assignments>> C :: 180.2770 CA :: 58.3990 CB :: 40.4490 CG :: 26.4600 CD1 :: 23.4080 CD2 :: 26.2400 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.8910 HA :: 3.9570 HB2 :: 1.5310 HB3 :: 1.7740 HG :: 1.7880 HD11 :: 0.6260 HD12 :: 0.6260 HD13 :: 0.6260 HD21 :: 0.5520 HD22 :: 0.5520 HD23 :: 0.5520 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 :: 118.7250 Ave N Shift Values>> N :: 121.86(3.9) 2.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.22 K 0.19 E 0.07 R 0.06 I 0.05 C Shift Assignments>> C :: 180.2810 CA :: 59.3000 CB :: 28.0420 CG :: 34.1690 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 :: 7.9040 HA :: 4.0800 HB2 :: 2.3250 HB3 :: 2.2640 HG2 :: 2.5340 HG3 :: 2.4190 HE21 :: 7.3880 HE22 :: 6.8090 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 :: 119.5570 NE2 :: 111.2900 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.33 I 0.21 K 0.04 Q 0.01 M 0.01 HN Overlap>> 2.L40 2.L40 C Shift Assignments>> C :: 177.7930 CA :: 59.2700 CB :: 29.2900 CG :: 36.7300 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 :: 7.7750 HA :: 4.0930 HB2 :: 2.3200 HB3 :: 1.9280 HG2 :: 2.6160 HG3 :: 2.2430 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 :: 120.4470 Ave N Shift Values>> N :: 120.67(3.48) 2.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 HN Overlap>> 2.A49 2.A49 C Shift Assignments>> C :: 175.8500 CA :: 58.7960 CB :: 40.8920 CD1 :: 132.2120 CD2 :: 132.2120 CE1 :: 131.3000 CE2 :: 131.3000 CZ :: 130.3000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.7840 HA :: 4.3690 HB2 :: 3.0340 HB3 :: 3.3710 HD1 :: 7.4660 HD2 :: 7.4660 HE1 :: 7.0770 HE2 :: 7.0770 HZ :: 7.3500 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.4930 Ave N Shift Values>> N :: 120.45(4.18) 2.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.0390 CA :: 46.5410 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1640 HA2 :: 3.8910 HA3 :: 4.0650 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.0880 Ave N Shift Values>> N :: 109.67(3.87) 2.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 174.5720 CA :: 60.8860 CB :: 40.2220 CG1 :: 27.5020 CG2 :: 18.5940 CD1 :: 14.7710 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.6820 HA :: 4.4180 HB :: 1.5280 HG12 :: 1.6750 HG13 :: 0.5840 HG21 :: 0.7630 HG22 :: 0.7630 HG23 :: 0.7630 HD11 :: 0.8610 HD12 :: 0.8610 HD13 :: 0.8610 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 :: 119.8570 Ave N Shift Values>> N :: 121.46(4.28) 2.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.63 C 0.35 A 0.01 C Shift Assignments>> C :: 175.5760 CA :: 58.8340 CB :: 71.8020 CG2 :: 21.5680 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 :: 8.3140 HA :: 4.5040 HB :: 4.6090 HG21 :: 1.1800 HG22 :: 1.1800 HG23 :: 1.1800 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.4900 Ave N Shift Values>> N :: 115.42(4.75) 2.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.45 C Shift Assignments>> C :: 178.2940 CA :: 60.3650 CB :: 37.2280 CD1 :: 130.8000 CD2 :: 130.8000 CE1 :: 130.4930 CE2 :: 130.4930 CZ :: 128.9100 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 :: 8.8100 HA :: 4.3010 HB2 :: 2.9370 HB3 :: 3.0590 HD1 :: 7.1200 HD2 :: 7.1200 HE1 :: 7.1590 HE2 :: 7.1590 HZ :: 7.1110 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.4600 Ave N Shift Values>> N :: 120.45(4.18) 2.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.45 HN Overlap>> 2.K60 2.K60 C Shift Assignments>> C :: 178.4420 CA :: 58.2880 CB :: 41.1630 CG :: 27.0500 CD1 :: 23.6920 CD2 :: 24.6120 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 :: 8.2770 HA :: 3.9820 HB2 :: 1.6130 HB3 :: 1.5520 HG :: 1.6540 HD11 :: 0.8880 HD12 :: 0.8880 HD13 :: 0.8880 HD21 :: 0.8480 HD22 :: 0.8480 HD23 :: 0.8480 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 :: 119.6180 Ave N Shift Values>> N :: 121.86(3.9) 2.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.17 L 0.17 Y 0.13 D 0.09 C 0.07 R 0.06 I 0.02 C Shift Assignments>> C :: 179.7690 CA :: 57.3440 CB :: 41.7060 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 :: 7.6820 HA :: 4.2380 HB2 :: 2.3480 HB3 :: 3.1530 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 :: 117.3790 Ave N Shift Values>> N :: 120.65(3.86) 2.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.45 C Shift Assignments>> C :: 178.3990 CA :: 57.8460 CB :: 40.7400 CG :: 25.3020 CD1 :: 22.8230 CD2 :: 24.2660 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 :: 7.4680 HA :: 3.8270 HB2 :: 0.8250 HB3 :: 1.5760 HG :: 1.5070 HD11 :: 0.4560 HD12 :: 0.4560 HD13 :: 0.4560 HD21 :: 0.1270 HD22 :: 0.1270 HD23 :: 0.1270 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 :: 118.8680 Ave N Shift Values>> N :: 121.86(3.9) 2.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 179.0880 CA :: 65.0880 CB :: 31.9190 CG1 :: 21.2700 CG2 :: 21.8100 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 :: 7.7900 HA :: 3.8680 HB :: 2.4190 HG11 :: 1.0670 HG12 :: 1.0670 HG13 :: 1.0670 HG21 :: 0.9670 HG22 :: 0.9670 HG23 :: 0.9670 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 :: 118.6550 Ave N Shift Values>> N :: 121.14(4.54) 2.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.34 R 0.05 A 0.02 G 0.01 HN Overlap>> 2.S37 2.S37 C Shift Assignments>> C :: 177.6540 CA :: 56.1300 CB :: 42.3200 CG :: 26.5900 CD1 :: 22.7900 CD2 :: 25.3200 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 :: 7.6790 HA :: 4.2540 HB2 :: 1.8550 HB3 :: 1.6640 HG :: 1.7940 HD11 :: 0.8570 HD12 :: 0.8570 HD13 :: 0.8570 HD21 :: 0.9050 HD22 :: 0.9050 HD23 :: 0.9050 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.5330 Ave N Shift Values>> N :: 121.86(3.9) 2.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.26 K 0.13 N 0.07 F 0.06 R 0.05 C 0.04 Y 0.04 C Shift Assignments>> C :: 174.0450 CA :: 53.5440 CB :: 41.8300 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 :: 7.7910 HA :: 5.0350 HB2 :: 2.6530 HB3 :: 2.9150 HD21 :: 7.2770 HD22 :: 7.9920 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.4320 ND2 :: 113.0990 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.21 C Shift Assignments>> C :: 174.4790 CA :: 60.4480 CB :: 33.2920 CG1 :: 24.5420 CG2 :: 21.3550 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 :: 7.4330 HA :: 3.6790 HB :: 2.1940 HG11 :: 1.5260 HG12 :: 1.5260 HG13 :: 1.5260 HG21 :: 0.9480 HG22 :: 0.9480 HG23 :: 0.9480 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 :: 121.9450 Ave N Shift Values>> N :: 121.14(4.54) 2.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 177.5000 CA :: 63.2310 CB :: 31.5950 CG :: 28.2610 CD :: 50.7350 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 :: 4.4250 HB2 :: 2.4010 HB3 :: 1.6040 HG2 :: 2.0000 HG3 :: 1.7720 HD2 :: 3.2710 HD3 :: 2.5420 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.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.09 HN Overlap>> 1.I8 1.I8 C Shift Assignments>> C :: 176.7360 CA :: 58.5330 CB :: 33.0970 CG :: 25.0370 CD :: 29.2840 CE :: 42.0980 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 :: 8.6460 HA :: 3.9740 HB2 :: 1.6780 HB3 :: 1.6780 HG2 :: 1.4340 HG3 :: 1.4340 HD2 :: 1.6930 HD3 :: 1.6930 HE2 :: 3.0050 HE3 :: 3.0050 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.9270 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.H34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.51 C 0.48 HN Overlap>> 1.D46 1.D46 C Shift Assignments>> C :: 176.0720 CA :: 55.8790 CB :: 32.5940 CD2 :: 119.4000 CE1 :: 138.4000 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 :: 4.7880 HB2 :: 3.3160 HB3 :: 3.1360 HD2 :: 7.1730 HE1 :: 7.9330 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 :: 117.4190 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.47 R 0.4 G 0.09 K 0.01 C Shift Assignments>> C :: 177.6090 CA :: 59.9600 CB :: 30.5960 CG :: 26.9500 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>> HA :: 4.0080 HB2 :: 2.0110 HB3 :: 2.0110 HG2 :: 1.7420 HG3 :: 1.7420 HD2 :: 3.2580 HD3 :: 3.2580 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) 2.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.28 C 0.16 I 0.09 D 0.06 L 0.05 N 0.02 E 0.01 C Shift Assignments>> C :: 179.9110 CA :: 57.5900 CB :: 39.2020 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 :: 9.4560 HA :: 4.4400 HB2 :: 2.7430 HB3 :: 2.7430 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 :: 118.7790 Ave N Shift Values>> N :: 120.65(3.86) 2.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.L29 2.L29 C Shift Assignments>> C :: 176.6960 CA :: 61.1220 CB :: 63.2700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6190 HA :: 4.4260 HB2 :: 4.0310 HB3 :: 4.1300 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 :: 116.5930 Ave N Shift Values>> N :: 116.28(3.52) 2.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 R 0.26 G 0.18 K 0.01 C Shift Assignments>> C :: 178.3450 CA :: 61.8950 CB :: 30.7370 CG :: 27.3020 CD :: 43.5850 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 :: 8.6090 HA :: 3.9510 HB2 :: 2.1380 HB3 :: 2.1380 HG2 :: 1.7470 HG3 :: 1.7470 HD2 :: 3.2500 HD3 :: 3.2500 HE :: 6.6450 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 :: 123.5820 NE :: 81.0900 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.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.2 E 0.17 K 0.1 Q 0.08 R 0.01 C Shift Assignments>> C :: 178.3480 CA :: 60.2490 CB :: 28.2210 CG :: 35.3020 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 :: 8.9820 HA :: 3.9670 HB2 :: 2.0380 HB3 :: 2.3660 HG2 :: 2.6830 HG3 :: 1.9320 HE21 :: 6.5960 HE22 :: 6.3710 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.8830 NE2 :: 110.3100 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.41 R 0.06 HN Overlap>> 2.E19 2.E19 C Shift Assignments>> C :: 178.6520 CA :: 58.4880 CB :: 41.4300 CG :: 27.5300 CD1 :: 26.3110 CD2 :: 22.9840 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 :: 7.8750 HA :: 4.2760 HB2 :: 2.1720 HB3 :: 1.8090 HG :: 1.6100 HD11 :: 1.0730 HD12 :: 1.0730 HD13 :: 1.0730 HD21 :: 1.0320 HD22 :: 1.0320 HD23 :: 1.0320 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 :: 120.4530 Ave N Shift Values>> N :: 121.86(3.9) 2.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 P 0.37 C 0.09 V 0.01 C Shift Assignments>> C :: 176.6470 CA :: 65.9200 CB :: 27.7760 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.3310 HA :: 4.1110 HB2 :: 2.7170 HB3 :: 3.6440 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 :: 116.1370 Ave N Shift Values>> N :: 120.17(4.64) 2.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.27 HN Overlap>> 1.N3 1.R29 1.N3 1.R29 C Shift Assignments>> C :: 177.2450 CA :: 66.6300 CB :: 38.1390 CG1 :: 30.3520 CG2 :: 19.0900 CD1 :: 15.6210 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 :: 8.4130 HA :: 3.7810 HB :: 2.0690 HG12 :: 2.2560 HG13 :: 1.1140 HG21 :: 1.1980 HG22 :: 1.1980 HG23 :: 1.1980 HD11 :: 1.1030 HD12 :: 1.1030 HD13 :: 1.1030 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.2540 Ave N Shift Values>> N :: 121.46(4.28) 2.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 R 0.24 G 0.2 K 0.01 HN Overlap>> 2.L48 2.L48 C Shift Assignments>> C :: 180.1900 CA :: 60.4050 CB :: 29.6970 CG :: 28.4400 CD :: 43.9100 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 :: 8.0470 HA :: 3.9730 HB2 :: 2.1070 HB3 :: 2.1070 HG2 :: 1.9560 HG3 :: 1.5780 HD2 :: 3.2320 HD3 :: 3.2320 HE :: 7.4060 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 :: 119.3830 NE :: 84.9100 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.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.39 R 0.09 G 0.01 C Shift Assignments>> C :: 178.0360 CA :: 57.8940 CB :: 42.2760 CG :: 26.5200 CD1 :: 26.5200 CD2 :: 23.5580 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 :: 8.7790 HA :: 4.0340 HB2 :: 2.1650 HB3 :: 1.2660 HG :: 2.0470 HD11 :: 0.8360 HD12 :: 0.8360 HD13 :: 0.8360 HD21 :: 0.7580 HD22 :: 0.7580 HD23 :: 0.7580 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 :: 120.1060 Ave N Shift Values>> N :: 121.86(3.9) 2.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.38 L 0.29 C 0.15 V 0.06 M 0.05 T 0.04 HN Overlap>> 2.H76 2.H76 2.C91 2.C91 C Shift Assignments>> C :: 179.1640 CA :: 55.4380 CB :: 21.0490 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4470 HA :: 3.9000 HB1 :: 1.7470 HB2 :: 1.7470 HB3 :: 1.7470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.4570 Ave N Shift Values>> N :: 123.23(3.54) 2.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 R 0.08 HN Overlap>> 2.K102 2.I88 2.K102 2.I88 C Shift Assignments>> C :: 177.7800 CA :: 59.4140 CB :: 32.0440 CG :: 24.8240 CD :: 28.9400 CE :: 41.7500 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 :: 8.2210 HA :: 3.2530 HB2 :: 1.6110 HB3 :: 1.0120 HG2 :: 0.8400 HG3 :: 0.5070 HD2 :: 1.0870 HD3 :: 1.0410 HE2 :: 2.6570 HE3 :: 2.6570 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.9130 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.41 C Shift Assignments>> C :: 179.0340 CA :: 59.2710 CB :: 33.4480 CG :: 32.5410 CE :: 17.2700 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 :: 7.8050 HA :: 3.9730 HB2 :: 1.9790 HB3 :: 2.2430 HG2 :: 2.7350 HG3 :: 2.3810 HE1 :: 2.0380 HE2 :: 2.0380 HE3 :: 2.0380 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.6080 Ave N Shift Values>> N :: 120.09(3.57) 2.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.35 R 0.17 G 0.04 HN Overlap>> 2.R43 2.R43 C Shift Assignments>> C :: 175.7930 CA :: 58.2450 CB :: 42.9890 CG :: 27.0800 CD1 :: 25.8950 CD2 :: 26.1800 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 :: 8.0380 HA :: 4.0230 HB2 :: 1.8620 HB3 :: 1.9300 HG :: 2.0340 HD11 :: 0.9450 HD12 :: 0.9450 HD13 :: 0.9450 HD21 :: 0.9650 HD22 :: 0.9650 HD23 :: 0.9650 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 :: 119.4030 Ave N Shift Values>> N :: 121.86(3.9) 2.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.14 C 0.06 L 0.06 V 0.01 HN Overlap>> 2.F20 2.F20 C Shift Assignments>> C :: 179.6840 CA :: 54.5700 CB :: 20.0690 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8160 HA :: 3.7970 HB1 :: 1.6010 HB2 :: 1.6010 HB3 :: 1.6010 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 115.4050 Ave N Shift Values>> N :: 123.23(3.54) 2.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.39 M 0.06 I 0.05 K 0.03 Q 0.01 C Shift Assignments>> C :: 175.7420 CA :: 56.9020 CB :: 30.1820 CG :: 36.9300 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 :: 7.8170 HA :: 4.0900 HB2 :: 2.0660 HB3 :: 1.9100 HG2 :: 2.4270 HG3 :: 2.1520 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 :: 114.1800 Ave N Shift Values>> N :: 120.67(3.48) 2.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.21 D 0.18 G 0.09 C 0.04 K 0.03 F 0.03 Y 0.01 N 0.01 C Shift Assignments>> C :: 174.4070 CA :: 53.1200 CB :: 43.3110 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 :: 7.3720 HA :: 4.8260 HB2 :: 2.4710 HB3 :: 3.1370 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 :: 122.0570 Ave N Shift Values>> N :: 120.65(3.86) 2.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.29 I 0.09 Q 0.08 K 0.08 M 0.03 HN Overlap>> 1.I11 1.I11 C Shift Assignments>> C :: 178.4660 CA :: 59.9580 CB :: 30.0190 CG :: 35.4440 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 :: 8.8220 HA :: 3.9970 HB2 :: 2.0580 HB3 :: 2.1420 HG2 :: 2.4090 HG3 :: 2.4090 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 :: 126.3890 Ave N Shift Values>> N :: 120.67(3.48) 2.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.19 K 0.19 E 0.11 I 0.07 R 0.03 C Shift Assignments>> C :: 180.4050 CA :: 59.4730 CB :: 28.3260 CG :: 34.5230 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 :: 8.0610 HA :: 4.2090 HB2 :: 2.1980 HB3 :: 2.2590 HG2 :: 2.4660 HG3 :: 2.5440 HE21 :: 7.7380 HE22 :: 6.9270 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.8450 NE2 :: 112.9000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 M 0.21 I 0.01 HN Overlap>> 1.K32 1.K32 C Shift Assignments>> C :: 177.7110 CA :: 60.6630 CB :: 35.0780 CG :: 32.9660 CE :: 17.5300 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 :: 8.7760 HA :: 4.2270 HB2 :: 2.5440 HB3 :: 2.0070 HG2 :: 2.8150 HG3 :: 2.3080 HE1 :: 2.0520 HE2 :: 2.0520 HE3 :: 2.0520 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.6000 Ave N Shift Values>> N :: 120.09(3.57) 2.Y55 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 :: 177.5770 CA :: 62.6140 CB :: 37.7690 CD1 :: 132.6180 CD2 :: 132.6180 CE1 :: 118.3290 CE2 :: 118.3290 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 :: 9.2910 HA :: 3.9660 HB2 :: 3.6830 HB3 :: 2.7230 HD1 :: 6.8630 HD2 :: 6.8630 HE1 :: 6.6900 HE2 :: 6.6900 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.2130 Ave N Shift Values>> N :: 120.52(4.2) 2.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.2 F 0.17 N 0.11 E 0.1 D 0.05 I 0.04 M 0.03 L 0.02 C Shift Assignments>> C :: 178.3750 CA :: 56.2550 CB :: 37.9310 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 :: 8.4620 HA :: 4.2190 HB2 :: 2.7330 HB3 :: 3.0030 HD21 :: 7.6670 HD22 :: 7.0620 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 :: 116.1850 ND2 :: 111.9100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.28 I 0.05 C 0.02 C Shift Assignments>> C :: 179.3370 CA :: 55.5810 CB :: 17.8710 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6590 HA :: 4.1620 HB1 :: 1.5910 HB2 :: 1.5910 HB3 :: 1.5910 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.4720 Ave N Shift Values>> N :: 123.23(3.54) 2.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.32 R 0.18 K 0.01 HN Overlap>> 2.K16 2.L69 2.K16 2.L69 C Shift Assignments>> C :: 179.4300 CA :: 57.9090 CB :: 42.0640 CG :: 27.0600 CD1 :: 27.3400 CD2 :: 25.3000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2630 HA :: 4.6060 HB2 :: 2.3790 HB3 :: 1.3100 HG :: 1.5800 HD11 :: 0.8940 HD12 :: 0.8940 HD13 :: 0.8940 HD21 :: 0.7700 HD22 :: 0.7700 HD23 :: 0.7700 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 :: 121.1420 Ave N Shift Values>> N :: 121.86(3.9) 2.M59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.46 A 0.06 C Shift Assignments>> C :: 178.7470 CA :: 56.4090 CB :: 30.5200 CG :: 32.0400 CE :: 16.7000 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 :: 7.9290 HA :: 4.4060 HB2 :: 1.9110 HB3 :: 1.9110 HG2 :: 2.3340 HG3 :: 2.3340 HE1 :: 2.0510 HE2 :: 2.0510 HE3 :: 2.0510 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 114.2080 Ave N Shift Values>> N :: 120.09(3.57) 2.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.08 HN Overlap>> 2.L25 2.L25 C Shift Assignments>> C :: 178.3760 CA :: 58.8410 CB :: 33.1180 CG :: 24.8950 CD :: 29.2140 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 :: 8.2210 HA :: 4.0710 HB2 :: 1.8880 HB3 :: 1.7680 HG2 :: 1.4070 HG3 :: 1.4070 HD2 :: 1.6990 HD3 :: 1.6990 HE2 :: 3.0170 HE3 :: 3.0170 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 :: 119.5940 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.22 F 0.09 C 0.08 Y 0.08 L 0.07 C Shift Assignments>> C :: 175.1920 CA :: 53.6290 CB :: 39.1980 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 :: 8.4420 HA :: 4.6850 HB2 :: 2.8830 HB3 :: 2.8830 HD21 :: 7.8190 HD22 :: 7.1530 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 :: 113.6750 ND2 :: 114.1280 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.36 C 0.35 L 0.18 K 0.05 G 0.02 C Shift Assignments>> C :: 174.8240 CA :: 56.1100 CB :: 28.1730 CG :: 24.2700 CD :: 27.9060 CE :: 42.7500 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 :: 8.1040 HA :: 4.0200 HB2 :: 1.5050 HB3 :: 2.0550 HG2 :: 1.0350 HG3 :: 0.9240 HD2 :: 1.1520 HD3 :: 0.5380(S) HE2 :: 2.7160 HE3 :: 2.6610 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.6070 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.29 R 0.12 K 0.06 N 0.05 C 0.05 G 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 174.3270 CA :: 52.0700 CB :: 42.6180 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 :: 7.5000 HA :: 4.9160 HB2 :: 2.6160 HB3 :: 2.7190 HD21 :: 7.5440 HD22 :: 7.0030 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 :: 111.9570 ND2 :: 114.0600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.46 C Shift Assignments>> C :: 175.0590 CA :: 60.7540 CB :: 39.6980 CG1 :: 29.3810 CG2 :: 16.3560 CD1 :: 14.4900 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 :: 9.1210 HA :: 3.9330 HB :: 1.8520 HG12 :: 1.8280 HG13 :: 0.8270 HG21 :: 0.7820 HG22 :: 0.7820 HG23 :: 0.7820 HD11 :: 0.9760 HD12 :: 0.9760 HD13 :: 0.9760 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 :: 124.2350 Ave N Shift Values>> N :: 121.46(4.28) 2.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.96 P 0.03 C Shift Assignments>> C :: 174.5060 CA :: 61.6630 CB :: 28.2230 CG :: 27.9950 CD :: 51.1600 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 :: 4.9610 HB2 :: 2.4920 HB3 :: 2.0090 HG2 :: 2.3730 HG3 :: 2.2230 HD2 :: 3.7000 HD3 :: 3.6180 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.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.31 G 0.16 K 0.01 C Shift Assignments>> C :: 177.0150 CA :: 60.8180 CB :: 31.1330 CG :: 27.1610 CD :: 43.7970 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 :: 8.0540 HA :: 3.6670 HB2 :: 1.9380 HB3 :: 1.8700 HG2 :: 1.5400 HG3 :: 1.7500 HD2 :: 3.2770 HD3 :: 3.2770 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.6580 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.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.21 E 0.18 F 0.15 N 0.06 I 0.06 M 0.04 D 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 177.6760 CA :: 56.8010 CB :: 37.4500 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 :: 8.8310 HA :: 4.3910 HB2 :: 2.8630 HB3 :: 2.7690 HD21 :: 7.7250 HD22 :: 7.0580 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.6210 ND2 :: 113.3100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.28 I 0.26 K 0.03 C Shift Assignments>> C :: 178.8280 CA :: 59.7970 CB :: 29.3350 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 :: 8.5570 HA :: 4.0500 HB2 :: 2.0150 HB3 :: 2.0150 HG2 :: 2.4870 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 :: 121.0430 Ave N Shift Values>> N :: 120.67(3.48) 2.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.41 R 0.09 G 0.01 HN Overlap>> 2.K16 2.K16 2.L58 2.L58 C Shift Assignments>> C :: 177.9330 CA :: 58.0260 CB :: 42.1220 CG :: 26.5500 CD1 :: 23.4600 CD2 :: 26.5500 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 :: 8.2650 HA :: 4.0370 HB2 :: 1.7280 HB3 :: 1.5350 HG :: 2.0410 HD11 :: 0.7610 HD12 :: 0.7610 HD13 :: 0.7610 HD21 :: 0.8370 HD22 :: 0.8370 HD23 :: 0.8370 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.1520 Ave N Shift Values>> N :: 121.86(3.9) 2.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.4 R 0.08 C Shift Assignments>> C :: 178.5990 CA :: 59.9330 CB :: 31.6200 CG :: 25.0450 CD :: 29.7460 CE :: 42.1300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5620 HA :: 3.9090 HB2 :: 1.7940 HB3 :: 2.0770 HG2 :: 1.6450 HG3 :: 1.6450 HD2 :: 1.6450 HD3 :: 1.6450 HE2 :: 3.0100 HE3 :: 3.0100 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.3790 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.09 C Shift Assignments>> C :: 178.7240 CA :: 58.9820 CB :: 32.7090 CG :: 24.9660 CD :: 29.1430 CE :: 42.1690 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 :: 7.3620 HA :: 4.1250 HB2 :: 1.9340 HB3 :: 1.9340 HG2 :: 1.5920 HG3 :: 1.5920 HD2 :: 1.7170 HD3 :: 1.7170 HE2 :: 3.0110 HE3 :: 3.0110 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.6640 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.08 HN Overlap>> 2.R95 2.R95 C Shift Assignments>> C :: 177.9020 CA :: 59.1470 CB :: 33.3170 CG :: 24.9660 CD :: 29.2140 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 :: 7.8680 HA :: 4.0800 HB2 :: 1.8920 HB3 :: 1.8920 HG2 :: 1.3910 HG3 :: 1.3910 HD2 :: 1.6990 HD3 :: 1.6990 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 :: 119.0400 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 L 0.07 C 0.04 M 0.02 C Shift Assignments>> C :: 176.3340 CA :: 52.4440 CB :: 20.7730 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4570 HA :: 4.1790 HB1 :: 1.3930 HB2 :: 1.3930 HB3 :: 1.3930 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.8930 Ave N Shift Values>> N :: 123.23(3.54) 2.K74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.27 R 0.13 C Shift Assignments>> C :: 175.7940 CA :: 57.3560 CB :: 29.0950 CG :: 24.6830 CD :: 24.8950(S) CE :: 42.0270 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 :: 7.7990 HA :: 3.9670 HB2 :: 1.8440 HB3 :: 2.1100 HG2 :: 1.3640 HG3 :: 1.3640 HD2 :: 1.4130 HD3 :: 1.4130 HE2 :: 3.0110 HE3 :: 3.0110 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.8680 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.27 C Shift Assignments>> C :: 175.1110 CA :: 59.1900 CB :: 34.8040 CG1 :: 19.7270 CG2 :: 21.6800 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 :: 7.3410 HA :: 4.6330 HB :: 2.2800 HG11 :: 0.8430 HG12 :: 0.8430 HG13 :: 0.8430 HG21 :: 0.9600 HG22 :: 0.9600 HG23 :: 0.9600 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 111.4770 Ave N Shift Values>> N :: 121.14(4.54) 2.H76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.53 C 0.46 HN Overlap>> 2.A45 2.C91 2.A45 2.C91 C Shift Assignments>> C :: 177.4220 CA :: 56.2000 CB :: 31.3930 CD2 :: 119.3000 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 :: 8.4470 HA :: 4.5900 HB2 :: 3.2470 HB3 :: 3.1660 HD2 :: 7.1690 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 :: 121.4660 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.G77 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.43 C 0.43 G 0.07 K 0.04 L 0.01 C Shift Assignments>> C :: 177.3840 CA :: 58.6080 CB :: 29.6930 CG :: 26.9620 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>> HA :: 4.3640 HB2 :: 1.9680 HB3 :: 1.8970 HG2 :: 1.6630 HG3 :: 1.6630 HD2 :: 3.2170 HD3 :: 3.1750 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) 2.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.8870 CA :: 66.2980 CB :: 69.0750 CG2 :: 22.2760 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.6810 HA :: 3.9020 HB :: 4.1550 HG21 :: 1.2500 HG22 :: 1.2500 HG23 :: 1.2500 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.2670 Ave N Shift Values>> N :: 115.42(4.75) 2.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 177.0740 CA :: 64.6000 CB :: 38.3500 CG1 :: 29.6380 CG2 :: 18.5940 CD1 :: 14.8420 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 :: 7.4180 HA :: 3.5600 HB :: 1.8970 HG12 :: 0.8230 HG13 :: 1.7050 HG21 :: 0.8940 HG22 :: 0.8940 HG23 :: 0.8940 HD11 :: 0.8580 HD12 :: 0.8580 HD13 :: 0.8580 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 :: 119.0870 Ave N Shift Values>> N :: 121.46(4.28) 2.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.09 L 0.04 P 0.03 A 0.03 N 0.01 C Shift Assignments>> C :: 177.1890 CA :: 47.5230 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0790 HA2 :: 3.8770 HA3 :: 4.0090 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.6990 Ave N Shift Values>> N :: 109.67(3.87) 2.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 Y 0.17 F 0.15 C 0.14 D 0.13 L 0.04 E 0.02 I 0.02 M 0.01 C Shift Assignments>> C :: 176.4520 CA :: 55.0870 CB :: 38.5040 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 :: 8.5650 HA :: 4.6070 HB2 :: 2.8750 HB3 :: 2.8750 HD21 :: 7.6140 HD22 :: 6.9350 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 :: 118.1320 ND2 :: 111.0300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.21 N 0.15 K 0.08 F 0.06 C 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 174.9880 CA :: 53.0790 CB :: 41.2640 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 :: 7.3590 HA :: 5.5780 HB2 :: 3.2670 HB3 :: 2.7120 HD21 :: 7.8950 HD22 :: 7.1460 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 :: 115.5690 ND2 :: 114.9600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.35 G 0.13 K 0.01 C Shift Assignments>> C :: 176.8160 CA :: 60.6450 CB :: 30.9190 CG :: 27.1610 CD :: 43.6560 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 :: 7.0440 HA :: 3.9440 HB2 :: 2.1220 HB3 :: 2.0100 HG2 :: 1.6590 HG3 :: 1.6870 HD2 :: 3.4500 HD3 :: 3.5220 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 :: 119.1820 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.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 R 0.2 K 0.1 G 0.01 C Shift Assignments>> C :: 176.8930 CA :: 61.2120 CB :: 32.4900 CG :: 27.1900 CD :: 27.9000 CE :: 42.1690 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 :: 8.1660 HA :: 3.8450 HB2 :: 2.1490 HB3 :: 1.5300 HG2 :: 1.1290 HG3 :: 1.1290 HD2 :: 1.4800 HD3 :: 1.4800 HE2 :: 3.0170 HE3 :: 3.0170 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.6330 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Y86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.25 C Shift Assignments>> C :: 176.4380 CA :: 61.5300 CB :: 40.0480 CD1 :: 132.8700 CD2 :: 132.8700 CE1 :: 118.3200 CE2 :: 118.3200 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 :: 8.1410 HA :: 4.0800 HB2 :: 3.3270 HB3 :: 3.0580 HD1 :: 7.0560 HD2 :: 7.0560 HE1 :: 6.8700 HE2 :: 6.8700 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.1850 Ave N Shift Values>> N :: 120.52(4.2) 2.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 177.6690 CA :: 66.4380 CB :: 38.2760 CG1 :: 30.4880 CG2 :: 17.0370 CD1 :: 15.5200 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.3490 HA :: 3.4320 HB :: 1.7910 HG12 :: 1.1030 HG13 :: 2.1010 HG21 :: 0.7210 HG22 :: 0.7210 HG23 :: 0.7210 HD11 :: 1.0460 HD12 :: 1.0460 HD13 :: 1.0460 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 :: 115.8090 Ave N Shift Values>> N :: 121.46(4.28) 2.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 HN Overlap>> 2.K46 2.K46 C Shift Assignments>> C :: 176.9830 CA :: 67.2120 CB :: 37.5510 CG1 :: 30.0060 CG2 :: 15.8330 CD1 :: 13.8510 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 :: 8.2570 HA :: 3.1300 HB :: 1.5580 HG12 :: 2.0300 HG13 :: 0.5240 HG21 :: -0.0690 HG22 :: -0.0690 HG23 :: -0.0690 HD11 :: 0.7980 HD12 :: 0.7980 HD13 :: 0.7980 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 :: 118.8270 Ave N Shift Values>> N :: 121.46(4.28) 2.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 M 0.17 C 0.13 L 0.11 V 0.07 T 0.03 I 0.01 C Shift Assignments>> C :: 178.7760 CA :: 55.8060 CB :: 20.2630 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0020 HA :: 3.7560 HB1 :: 1.3100 HB2 :: 1.3100 HB3 :: 1.3100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.0710 Ave N Shift Values>> N :: 123.23(3.54) 2.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.41 R 0.04 C Shift Assignments>> C :: 178.0160 CA :: 57.9150 CB :: 41.2520 CG :: 27.1890 CD1 :: 23.7100 CD2 :: 26.5600 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 :: 8.0220 HA :: 3.7180 HB2 :: 1.6880 HB3 :: 1.0640 HG :: 1.4710 HD11 :: 0.5650 HD12 :: 0.5650 HD13 :: 0.5650 HD21 :: 0.3890 HD22 :: 0.3890 HD23 :: 0.3890 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 :: 114.7380 Ave N Shift Values>> N :: 121.86(3.9) 2.C91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 P 0.38 C 0.16 R 0.01 K 0.01 HN Overlap>> 2.H76 2.A45 2.D3 2.H76 2.A45 2.D3 C Shift Assignments>> C :: 175.8170 CA :: 62.7030 CB :: 26.0810 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.5440 HA :: 4.1120 HB2 :: 3.0470 HB3 :: 3.3040 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 :: 121.4520 Ave N Shift Values>> N :: 120.17(4.64) 2.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.41 C Shift Assignments>> C :: 180.8900 CA :: 58.1750 CB :: 40.6760 CG :: 26.6470 CD1 :: 22.6300 CD2 :: 25.6030 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 :: 8.0470 HA :: 4.0340 HB2 :: 1.9420 HB3 :: 1.3690 HG :: 1.8980 HD11 :: 0.9030 HD12 :: 0.9030 HD13 :: 0.9030 HD21 :: 0.6330 HD22 :: 0.6330 HD23 :: 0.6330 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.8900 Ave N Shift Values>> N :: 121.86(3.9) 2.I93 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 :: 180.1680 CA :: 66.0730 CB :: 37.5350 CG1 :: 30.1340 CG2 :: 16.8950 CD1 :: 13.7800 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 :: 8.1380 HA :: 3.6320 HB :: 1.8130 HG12 :: 1.0370 HG13 :: 2.0420 HG21 :: 0.4760 HG22 :: 0.4760 HG23 :: 0.4760 HD11 :: 0.8940 HD12 :: 0.8940 HD13 :: 0.8940 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 :: 120.9610 Ave N Shift Values>> N :: 121.46(4.28) 2.F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 C Shift Assignments>> C :: 177.7690 CA :: 63.3850 CB :: 38.3280 CD1 :: 131.1650 CD2 :: 131.1650 CE1 :: 130.9900 CE2 :: 130.9900 CZ :: 129.6200 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 :: 8.7350 HA :: 4.2630 HB2 :: 3.0110 HB3 :: 3.1560 HD1 :: 7.1610 HD2 :: 7.1610 HE1 :: 7.3770 HE2 :: 7.3770 HZ :: 6.9780 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 :: 121.0990 Ave N Shift Values>> N :: 120.45(4.18) 2.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.3 K 0.25 L 0.04 G 0.01 HN Overlap>> 2.K72 2.K72 C Shift Assignments>> C :: 175.4400 CA :: 55.4750 CB :: 29.7000 CG :: 26.4600 CD :: 42.3810 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 :: 7.7930 HA :: 4.3730 HB2 :: 1.6930 HB3 :: 1.9640 HG2 :: 1.4190 HG3 :: 1.3170 HD2 :: 2.6120 HD3 :: 2.6120 HE :: 6.6510 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 :: 119.1110 NE :: 83.7600 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.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 172.8320 CA :: 59.0860 CB :: 65.4390 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5680 HA :: 4.6670 HB2 :: 4.3070 HB3 :: 4.2490 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 :: 117.6840 Ave N Shift Values>> N :: 116.28(3.52) 2.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.11 C 0.1 Y 0.05 F 0.05 L 0.02 M 0.01 C Shift Assignments>> C :: 175.5970 CA :: 52.5250 CB :: 38.3220 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 :: 8.6600 HA :: 5.0510 HB2 :: 2.6420 HB3 :: 3.1480 HD21 :: 7.9490 HD22 :: 6.9490 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 :: 115.6710 ND2 :: 114.5700 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 L 0.28 C Shift Assignments>> C :: 176.4870 CA :: 53.9890 CB :: 38.2940 CG :: 26.9500 CD1 :: 25.8860 CD2 :: 27.0900 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 :: 8.5910 HA :: 4.5530 HB2 :: 1.8060 HB3 :: 1.5400 HG :: 1.4400 HD11 :: 0.6890 HD12 :: 0.6890 HD13 :: 0.6890 HD21 :: 1.0010 HD22 :: 1.0010 HD23 :: 1.0010 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.6420 Ave N Shift Values>> N :: 121.86(3.9) 2.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.16 D 0.09 I 0.06 N 0.06 L 0.05 E 0.01 C Shift Assignments>> C :: 178.1800 CA :: 56.8880 CB :: 39.0410 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 :: 7.9630 HA :: 4.2380 HB2 :: 2.7320 HB3 :: 2.8230 HD21 :: 7.8010 HD22 :: 7.1180 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 :: 121.5060 ND2 :: 114.6800 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.46 C Shift Assignments>> C :: 177.9560 CA :: 58.3120 CB :: 40.9780 CG :: 26.8300 CD1 :: 23.6800 CD2 :: 24.7500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.0960 HA :: 3.9860 HB2 :: 1.3680 HB3 :: 1.2810 HG :: 1.3270 HD11 :: 0.7970 HD12 :: 0.7970 HD13 :: 0.7970 HD21 :: 0.6250 HD22 :: 0.6250 HD23 :: 0.6250 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.7120 Ave N Shift Values>> N :: 121.86(3.9) 2.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.9720 CA :: 61.1540 CB :: 62.5010 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.2690 HA :: 4.7920 HB2 :: 4.1090 HB3 :: 4.1090 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.1040 Ave N Shift Values>> N :: 116.28(3.52) 2.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 R 0.23 K 0.15 G 0.01 HN Overlap>> 2.K46 2.K46 C Shift Assignments>> C :: 178.0850 CA :: 60.8650 CB :: 32.3680 CG :: 27.1400 CD :: 29.2840 CE :: 42.1690 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 :: 8.1430 HA :: 3.4510 HB2 :: 1.7470 HB3 :: 2.0020 HG2 :: 1.6060 HG3 :: 1.5340 HD2 :: 1.6990 HD3 :: 1.6990 HE2 :: 3.0170 HE3 :: 3.0170 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.8830 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.29 G 0.21 C Shift Assignments>> C :: 179.2090 CA :: 59.8490 CB :: 29.7610 CG :: 27.3020 CD :: 44.1510 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 :: 7.5910 HA :: 4.0690 HB2 :: 2.0320 HB3 :: 2.0320 HG2 :: 1.4960 HG3 :: 1.7210 HD2 :: 3.2320 HD3 :: 3.2320 HE :: 7.1930 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 :: 119.5850 NE :: 84.2300 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.Y104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 Y 0.29 C Shift Assignments>> C :: 180.0300 CA :: 59.6150 CB :: 37.4900 CD1 :: 130.7730 CD2 :: 130.7730 CE1 :: 117.5510 CE2 :: 117.5510 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 :: 8.4150 HA :: 4.3210 HB2 :: 3.6480 HB3 :: 2.7320 HD1 :: 6.7570 HD2 :: 6.7570 HE1 :: 6.5930 HE2 :: 6.5930 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.8350 Ave N Shift Values>> N :: 120.52(4.2) 2.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.4 R 0.07 A 0.01 G 0.01 C Shift Assignments>> C :: 179.1250 CA :: 58.0990 CB :: 42.0320 CG :: 26.4340 CD1 :: 26.1660 CD2 :: 21.6000 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 :: 7.7130 HA :: 4.0720 HB2 :: 2.0190 HB3 :: 1.4750 HG :: 2.0100 HD11 :: 0.3320 HD12 :: 0.3320 HD13 :: 0.3320 HD21 :: 0.7280 HD22 :: 0.7280 HD23 :: 0.7280 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 :: 117.9310 Ave N Shift Values>> N :: 121.86(3.9) 2.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.34 I 0.17 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.8530 CA :: 59.3820 CB :: 29.6900 CG :: 36.6100 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 :: 8.8480 HA :: 4.1500 HB2 :: 2.1680 HB3 :: 2.0440 HG2 :: 2.5400 HG3 :: 2.3390 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 :: 119.1310 Ave N Shift Values>> N :: 120.67(3.48) 2.Y107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.39 C Shift Assignments>> C :: 178.5330 CA :: 60.6110 CB :: 37.2550 CD1 :: 132.6920 CD2 :: 132.6920 CE1 :: 118.1100 CE2 :: 118.1100 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 :: 8.7810 HA :: 4.4020 HB2 :: 3.2760 HB3 :: 3.1140 HD1 :: 7.1430 HD2 :: 7.1430 HE1 :: 6.7700 HE2 :: 6.7700 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.9920 Ave N Shift Values>> N :: 120.52(4.2) 2.Y108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 177.4830 CA :: 60.5600 CB :: 38.6300 CD1 :: 132.7480 CD2 :: 132.7480 CE1 :: 117.9800 CE2 :: 117.9800 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 :: 7.9840 HA :: 4.4310 HB2 :: 3.5130 HB3 :: 3.0050 HD1 :: 7.0760 HD2 :: 7.0760 HE1 :: 6.6600 HE2 :: 6.6600 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 :: 118.4430 Ave N Shift Values>> N :: 120.52(4.2) 2.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 174.8870 CA :: 63.3460 CB :: 69.4880 CG2 :: 23.1250 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.6850 HA :: 4.1220 HB :: 4.3820 HG21 :: 1.4010 HG22 :: 1.4010 HG23 :: 1.4010 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 :: 107.2490 Ave N Shift Values>> N :: 115.42(4.75) 2.M110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.41 A 0.07 C Shift Assignments>> C :: 176.4300 CA :: 56.2280 CB :: 32.6820 CG :: 32.2580 CE :: 16.8600 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 :: 7.5470 HA :: 4.3510 HB2 :: 2.0920 HB3 :: 2.0920 HG2 :: 2.6710 HG3 :: 2.5600 HE1 :: 1.9870 HE2 :: 1.9870 HE3 :: 1.9870 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 :: 120.3360 Ave N Shift Values>> N :: 120.09(3.57) 2.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.3 R 0.02 A 0.01 G 0.01 C Shift Assignments>> C :: 177.4500 CA :: 55.7450 CB :: 42.2390 CG :: 26.5500 CD1 :: 23.4400 CD2 :: 24.9660 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 :: 7.7620 HA :: 4.1450 HB2 :: 1.4280 HB3 :: 1.5220 HG :: 1.5980 HD11 :: 0.7930 HD12 :: 0.7930 HD13 :: 0.7930 HD21 :: 0.8460 HD22 :: 0.8460 HD23 :: 0.8460 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 :: 121.7670 Ave N Shift Values>> N :: 121.86(3.9) 2.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 M 0.1 Q 0.06 K 0.06 I 0.02 C Shift Assignments>> C :: 176.2500 CA :: 56.8020 CB :: 30.2670 CG :: 36.1510 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 :: 8.2650 HA :: 4.1450 HB2 :: 1.9040 HB3 :: 1.8330 HG2 :: 2.1610 HG3 :: 2.1010 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 :: 120.5860 Ave N Shift Values>> N :: 120.67(3.48) 2.H113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.18 R 0.17 Q 0.15 E 0.15 C 0.14 M 0.09 K 0.07 C Shift Assignments>> C :: 173.9600 CA :: 55.8800 CB :: 30.3170 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 :: 4.6110 HB2 :: 3.1190 HB3 :: 3.1190 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.H118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 R 0.17 H 0.16 C 0.16 Q 0.13 K 0.08 M 0.07 I 0.01 V 0.01 C Shift Assignments>> C :: 179.1440 CA :: 57.3360 CB :: 30.3170 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 :: 8.1220 HA :: 4.4400 HB2 :: 3.2350 HB3 :: 3.0890 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 :: 125.4340 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 165 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 164 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 171 #Suspicious: 0 C Shift Results: #Consistent: 780 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1275 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 184 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R4 HB2 = 0.2750(S), Expected = 1.79, Std = 0.2700, ChiSquare = 2.0103e-08 1.G6 HA2 = 5.3550(S), Expected = 3.97, Std = 0.3700, ChiSquare = 1.8166e-04 1.K15 HE3 = 2.2440(S), Expected = 2.91, Std = 0.2000, ChiSquare = 8.6846e-04 1.L19 HB3 = 0.2540(S), Expected = 1.52, Std = 0.3600, ChiSquare = 4.3700e-04 2.K62 HD3 = 0.5380(S), Expected = 1.60, Std = 0.2200, ChiSquare = 1.3842e-06 2.K74 CD = 24.8950(S), Expected = 28.96, Std = 1.0800, ChiSquare = 1.6729e-04