Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.68 M 0.13 K 0.11 I 0.05 C Shift Assignments>> C :: 175.5300 CA :: 56.6600 CB :: 30.0800 CG :: 36.3200 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 :: 4.4960 HB2 :: 2.1320 HB3 :: 2.0190 HG2 :: 2.3070 HG3 :: 2.3070 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) 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.13 Y 0.06 F 0.06 L 0.03 M 0.01 E 0.01 C Shift Assignments>> C :: 173.5250 CA :: 52.6860 CB :: 38.2980 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 :: 8.4760 HA :: 4.8450 HB2 :: 2.5310 HB3 :: 3.4350 HD21 :: 7.4870 HD22 :: 7.0940 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 :: 120.4020 ND2 :: 112.4130 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.4340 CA :: 57.0150 CB :: 65.6340 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7960 HA :: 5.3730 HB2 :: 3.4030 HB3 :: 3.6290 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.0930 Ave N Shift Values>> N :: 116.28(3.52) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.9090 CA :: 59.1090 CB :: 40.4820 CG1 :: 26.7750 CG2 :: 16.8340 CD1 :: 13.2910 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 :: 8.9480 HA :: 4.2640 HB :: 1.6480 HG12 :: 1.2270 HG13 :: 1.0890 HG21 :: 0.8060 HG22 :: 0.8060 HG23 :: 0.8060 HD11 :: 0.7350 HD12 :: 0.7350 HD13 :: 0.7350 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 :: 124.4950 Ave N Shift Values>> N :: 121.46(4.28) 1.Y6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.5180 CA :: 57.2340 CB :: 37.8640 CD1 :: 133.0460 CD2 :: 133.0460 CE1 :: 118.0470 CE2 :: 118.0470 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 :: 8.5710 HA :: 4.7090 HB2 :: 2.8410 HB3 :: 2.8410 HD1 :: 7.0270 HD2 :: 7.0270 HE1 :: 6.7260 HE2 :: 6.7260 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 :: 127.3140 Ave N Shift Values>> N :: 120.52(4.2) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.6950 CA :: 63.0540 CB :: 30.7220 CG1 :: 21.2630 CG2 :: 21.2630 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 :: 8.7940 HA :: 2.6060 HB :: 1.6910 HG11 :: 0.4090 HG12 :: 0.4090 HG13 :: 0.4090 HG21 :: 0.4090 HG22 :: 0.4090 HG23 :: 0.4090 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.1840 Ave N Shift Values>> N :: 121.14(4.54) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.3400 CA :: 45.7530 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.9150 HA2 :: 4.5630 HA3 :: 3.7010 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.8010 Ave N Shift Values>> N :: 109.67(3.87) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.21 K 0.21 F 0.11 Y 0.08 R 0.06 N 0.03 C Shift Assignments>> C :: 177.0770 CA :: 55.4700 CB :: 41.7890 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 :: 8.672 HA :: 4.5900 HB2 :: 2.7360 HB3 :: 2.8100 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 :: 123.720 Ave N Shift Values>> N :: 120.65(3.86) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.23 G 0.01 C Shift Assignments>> C :: 175.7150 CA :: 55.6780 CB :: 32.2000 CG :: 24.8420 CD :: 29.0590 CE :: 42.0540 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 :: 7.9190 HA :: 4.4650 HB2 :: 1.7030 HB3 :: 1.7030 HG2 :: 1.4450 HG3 :: 1.4450 HD2 :: 1.5190 HD3 :: 1.5190 HE2 :: 3.0030 HE3 :: 3.0030 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.9380 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.5450 CA :: 45.4770 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2660 HA2 :: 4.1780 HA3 :: 3.8660 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.7050 Ave N Shift Values>> N :: 109.67(3.87) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.5750 CA :: 67.0540 CB :: 32.9950 CG1 :: 24.0690 CG2 :: 20.7400 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5470 HA :: 3.6400 HB :: 2.1110 HG11 :: 1.2570 HG12 :: 1.2570 HG13 :: 1.2570 HG21 :: 0.9490 HG22 :: 0.9490 HG23 :: 0.9490 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 :: 120.6400 Ave N Shift Values>> N :: 121.14(4.54) 1.M13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.86 A 0.12 C Shift Assignments>> C :: 179.0800 CA :: 55.9640 CB :: 28.9920 CG :: 32.5130 CE :: 15.4100 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 :: 8.8350 HA :: 4.5400 HB2 :: 2.1000 HB3 :: 2.1000 HG2 :: 2.6370 HG3 :: 2.8430 HE1 :: 2.0150 HE2 :: 2.0150 HE3 :: 2.0150 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 :: 114.4330 Ave N Shift Values>> N :: 120.09(3.57) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.29 I 0.1 E 0.06 N 0.06 D 0.05 L 0.03 M 0.02 C Shift Assignments>> C :: 177.8300 CA :: 57.1910 CB :: 38.3840 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 :: 7.6590 HA :: 4.2640 HB2 :: 2.4120 HB3 :: 2.4770 HD21 :: 7.0160 HD22 :: 6.7190 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.6420 ND2 :: 112.4640 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.1600 CA :: 61.1110 CB :: 38.4220 CD1 :: 132.0000 CD2 :: 132.0000 CE1 :: 120.3000 CE2 :: 120.3000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.1680 HA :: 4.3720 HB2 :: 2.9170 HB3 :: 3.0580 HD1 :: 6.9540 HD2 :: 6.9540 HE1 :: 6.9540 HE2 :: 6.9540 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.6970 Ave N Shift Values>> N :: 120.52(4.2) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.A35 1.A35 C Shift Assignments>> C :: 177.6800 CA :: 67.4770 CB :: 32.0470 CG1 :: 24.2260 CG2 :: 21.3910 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 :: 8.3360 HA :: 3.4130 HB :: 2.3610 HG11 :: 1.1970 HG12 :: 1.1970 HG13 :: 1.1970 HG21 :: 0.9180 HG22 :: 0.9180 HG23 :: 0.9180 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 :: 121.1220 Ave N Shift Values>> N :: 121.14(4.54) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.6000 CA :: 66.3860 CB :: 68.4490 CG2 :: 21.7230 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 :: 8.2140 HA :: 3.8870 HB :: 4.2100 HG21 :: 1.2200 HG22 :: 1.2200 HG23 :: 1.2200 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.3820 Ave N Shift Values>> N :: 115.42(4.75) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.32 I 0.05 C Shift Assignments>> C :: 180.2200 CA :: 55.5370 CB :: 18.0740 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6230 HA :: 4.1490 HB1 :: 1.6380 HB2 :: 1.6380 HB3 :: 1.6380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.4560 Ave N Shift Values>> N :: 123.23(3.54) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.1500 CA :: 66.7940 CB :: 31.3710 CG1 :: 23.6830 CG2 :: 22.5200 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 :: 8.1260 HA :: 3.2820 HB :: 2.2800 HG11 :: 0.9420 HG12 :: 0.9420 HG13 :: 0.9420 HG21 :: 0.6780 HG22 :: 0.6780 HG23 :: 0.6780 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.0640 Ave N Shift Values>> N :: 121.14(4.54) 1.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 A 0.01 HN Overlap>> 1.R53 1.R53 C Shift Assignments>> C :: 179.1100 CA :: 58.0950 CB :: 30.9010 CG :: 31.9820 CE :: 16.1200 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 :: 8.0780 HA :: 4.3070 HB2 :: 2.1970 HB3 :: 2.1970 HG2 :: 2.5650 HG3 :: 2.6510 HE1 :: 2.0360 HE2 :: 2.0360 HE3 :: 2.0360 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 :: 116.7460 Ave N Shift Values>> N :: 120.09(3.57) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.0500 CA :: 66.2730 CB :: 68.9210 CG2 :: 21.6230 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 :: 8.3230 HA :: 4.0380 HB :: 4.2770 HG21 :: 1.2630 HG22 :: 1.2630 HG23 :: 1.2630 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 :: 115.4720 Ave N Shift Values>> N :: 115.42(4.75) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.1 C Shift Assignments>> C :: 178.4300 CA :: 58.3960 CB :: 41.7660 CG :: 27.1000 CD1 :: 25.8730 CD2 :: 23.4820 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 :: 7.4730 HA :: 4.1130 HB2 :: 1.2730 HB3 :: 1.8810 HG :: 1.7620 HD11 :: 0.8320 HD12 :: 0.8320 HD13 :: 0.8320 HD21 :: 0.8410 HD22 :: 0.8410 HD23 :: 0.8410 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.2200 Ave N Shift Values>> N :: 121.86(3.9) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.8300 CA :: 58.2110 CB :: 38.3810 CD1 :: 130.6220 CD2 :: 130.6220 CE1 :: 130.4730 CE2 :: 130.4730 CZ :: 128.4500 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 :: 8.0590 HA :: 4.6340 HB2 :: 3.0690 HB3 :: 3.2730 HD1 :: 7.1780 HD2 :: 7.1780 HE1 :: 6.9550 HE2 :: 6.9420 HZ :: 6.9420 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 :: 114.3210 Ave N Shift Values>> N :: 120.45(4.18) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.24 K 0.19 F 0.11 Y 0.08 N 0.04 R 0.04 C Shift Assignments>> C :: 177.2900 CA :: 55.2900 CB :: 41.5360 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 :: 7.5270 HA :: 4.7260 HB2 :: 2.7680 HB3 :: 2.8310 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 :: 118.6010 Ave N Shift Values>> N :: 120.65(3.86) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.33 G 0.01 C Shift Assignments>> C :: 175.9000 CA :: 54.1930 CB :: 31.1450 CG :: 24.8260 CD :: 28.8250 CE :: 42.2950 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.9020 HA :: 4.6060 HB2 :: 2.0060 HB3 :: 2.2100 HG2 :: 1.7860 HG3 :: 1.6360 HD2 :: 1.7860 HD3 :: 1.7860 HE2 :: 3.0700 HE3 :: 3.0700 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 :: 122.3690 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.1100 CA :: 64.3510 CB :: 31.9840 CG :: 27.4230 CD :: 50.5810 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 :: 4.3270 HB2 :: 1.9500 HB3 :: 2.3200 HG2 :: 2.0710 HG3 :: 2.0710 HD2 :: 3.9750 HD3 :: 3.7990 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.3 L 0.13 F 0.11 Y 0.1 C Shift Assignments>> C :: 175.2800 CA :: 53.9790 CB :: 39.9330 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 :: 8.5370 HA :: 4.4690 HB2 :: 2.7030 HB3 :: 2.7970 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 :: 113.3720 Ave N Shift Values>> N :: 120.65(3.86) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.8400 CA :: 60.3700 CB :: 36.3220 CG1 :: 26.7240 CG2 :: 17.5670 CD1 :: 11.4720 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 :: 7.2280 HA :: 4.2720 HB :: 2.3070 HG12 :: 1.2300 HG13 :: 1.5080 HG21 :: 0.7210 HG22 :: 0.7210 HG23 :: 0.7210 HD11 :: 0.8100 HD12 :: 0.8100 HD13 :: 0.8100 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.3570 Ave N Shift Values>> N :: 121.46(4.28) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.23 L 0.18 F 0.08 Y 0.06 K 0.04 C Shift Assignments>> C :: 174.2300 CA :: 53.3180 CB :: 40.7340 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 :: 8.8590 HA :: 4.9750 HB2 :: 2.7690 HB3 :: 2.8640 HD21 :: 7.5320 HD22 :: 6.8890 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 :: 123.6650 ND2 :: 113.2010 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 E 0.29 C Shift Assignments>> C :: 174.1000 CA :: 55.0270 CB :: 32.7200 CG :: 35.4470 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 :: 7.8590 HA :: 5.5790 HB2 :: 1.8350 HB3 :: 2.0040 HG2 :: 2.0240 HG3 :: 2.1130 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.6070 Ave N Shift Values>> N :: 120.67(3.48) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.2200 CA :: 60.3720 CB :: 36.0070 CG1 :: 21.7880 CG2 :: 22.0900 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 :: 9.0130 HA :: 4.6760 HB :: 1.5420 HG11 :: 0.6590 HG12 :: 0.6590 HG13 :: 0.6590 HG21 :: 0.3550 HG22 :: 0.3550 HG23 :: 0.3550 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 :: 120.0720 Ave N Shift Values>> N :: 121.14(4.54) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.5800 CA :: 60.1760 CB :: 40.1940 CG1 :: 27.5410 CG2 :: 18.6330 CD1 :: 14.1110 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 :: 8.3800 HA :: 4.8710 HB :: 1.5750 HG12 :: 1.0970 HG13 :: 1.3890 HG21 :: 0.6150 HG22 :: 0.6150 HG23 :: 0.6150 HD11 :: 0.7600 HD12 :: 0.7600 HD13 :: 0.7600 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 :: 124.7690 Ave N Shift Values>> N :: 121.46(4.28) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 G 0.23 R 0.08 A 0.04 C Shift Assignments>> C :: 175.6500 CA :: 53.3180 CB :: 43.6870 CG :: 26.6000 CD1 :: 23.6700 CD2 :: 26.2060 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 :: 9.2290 HA :: 4.8720 HB2 :: 1.1090 HB3 :: 1.7860 HG :: 1.5740 HD11 :: 0.6260 HD12 :: 0.6260 HD13 :: 0.6260 HD21 :: 0.7670 HD22 :: 0.7670 HD23 :: 0.7670 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.4460 Ave N Shift Values>> N :: 121.86(3.9) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 K 0.37 G 0.01 C Shift Assignments>> C :: 174.3000 CA :: 54.9300 CB :: 35.7260 CG :: 26.2250 CD :: 29.8670 CE :: 42.0530 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 :: 8.6170 HA :: 5.1900 HB2 :: 1.7000 HB3 :: 1.1210 HG2 :: 1.0660 HG3 :: 1.1310 HD2 :: 1.3370 HD3 :: 1.4460 HE2 :: 2.7260 HE3 :: 2.7260 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.0210 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 L 0.35 K 0.09 R 0.03 H 0.01 HN Overlap>> 1.V16 1.V16 C Shift Assignments>> C :: 174.7700 CA :: 51.0320 CB :: 25.1270(S) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3380 HA :: 4.6320 HB1 :: 1.0220 HB2 :: 1.0220 HB3 :: 1.0220 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.1730 Ave N Shift Values>> N :: 123.23(3.54) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 R 0.31 K 0.05 HN Overlap>> 1.I83 1.I83 C Shift Assignments>> C :: 176.6700 CA :: 53.4870 CB :: 34.2130 CG :: 26.4530 CD :: 43.9280 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 :: 8.4510 HA :: 5.2560 HB2 :: 1.7560 HB3 :: 1.7560 HG2 :: 1.5450 HG3 :: 1.5920 HD2 :: 3.0800 HD3 :: 3.0800 HE :: 7.669 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.7850 NE :: 84.690 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.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 175.2800 CA :: 46.5680 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.3270 HA2 :: 3.9540 HA3 :: 3.7700 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.6810 Ave N Shift Values>> N :: 109.67(3.87) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.16 G 0.01 C Shift Assignments>> C :: 178.8600 CA :: 59.0950 CB :: 31.9750 CG :: 24.8830 CD :: 29.3820 CE :: 42.1470 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 :: 8.9480 HA :: 4.1320 HB2 :: 2.0130 HB3 :: 2.0130 HG2 :: 1.6160 HG3 :: 1.6160 HD2 :: 1.7860 HD3 :: 1.7860 HE2 :: 3.0810 HE3 :: 3.0810 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 :: 124.1190 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3900 CA :: 60.7330 CB :: 63.5340 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9550 HA :: 4.3770 HB2 :: 4.2570 HB3 :: 4.0840 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.8890 Ave N Shift Values>> N :: 116.28(3.52) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.7120 CA :: 66.2650 CB :: 38.2800 CG1 :: 29.5180 CG2 :: 16.0460 CD1 :: 13.3250 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 :: 8.4320 HA :: 3.2420 HB :: 1.7020 HG12 :: 1.6340 HG13 :: 0.6570 HG21 :: 0.6040 HG22 :: 0.6040 HG23 :: 0.6040 HD11 :: 0.6790 HD12 :: 0.6790 HD13 :: 0.6790 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.2730 Ave N Shift Values>> N :: 121.46(4.28) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.3100 CA :: 66.0740 CB :: 31.8070 CG1 :: 20.3850 CG2 :: 23.5480 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 :: 6.7390 HA :: 3.3270 HB :: 1.9700 HG11 :: 0.9600 HG12 :: 0.9600 HG13 :: 0.9600 HG21 :: 1.0340 HG22 :: 1.0340 HG23 :: 1.0340 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.8350 Ave N Shift Values>> N :: 121.14(4.54) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.25 C Shift Assignments>> C :: 177.5600 CA :: 58.5350 CB :: 31.1540 CG :: 24.5680 CD :: 28.5550 CE :: 41.6690 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 :: 6.3500 HA :: 4.0850 HB2 :: 1.7400 HB3 :: 1.7400 HG2 :: 1.6060 HG3 :: 1.4990 HD2 :: 1.7700 HD3 :: 2.0720 HE2 :: 3.1950 HE3 :: 3.0770 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 :: 118.8460 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 A 0.24 I 0.05 C Shift Assignments>> C :: 178.1200 CA :: 55.4930 CB :: 17.3690 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8320 HA :: 3.7110 HB1 :: 1.1320 HB2 :: 1.1320 HB3 :: 1.1320 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.6770 Ave N Shift Values>> N :: 123.23(3.54) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.8200 CA :: 67.4930 CB :: 30.8610 CG1 :: 22.6470 CG2 :: 22.9490 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 :: 7.4930 HA :: 3.4930 HB :: 2.2320 HG11 :: 0.9580 HG12 :: 0.9580 HG13 :: 0.9580 HG21 :: 1.2210 HG22 :: 1.2210 HG23 :: 1.2210 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.3530 Ave N Shift Values>> N :: 121.14(4.54) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.3 I 0.1 L 0.09 D 0.07 K 0.05 C Shift Assignments>> C :: 179.4100 CA :: 58.2590 CB :: 40.4280 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 :: 8.7250 HA :: 4.0400 HB2 :: 3.0990 HB3 :: 2.5700 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.2020 Ave N Shift Values>> N :: 120.65(3.86) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.8000 CA :: 66.1960 CB :: 31.9750 CG1 :: 21.1980 CG2 :: 24.8860 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 :: 8.4530 HA :: 3.3780 HB :: 2.3560 HG11 :: 0.7950 HG12 :: 0.7950 HG13 :: 0.7950 HG21 :: 1.3670 HG22 :: 1.3670 HG23 :: 1.3670 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 :: 118.7460 Ave N Shift Values>> N :: 121.14(4.54) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 K 0.16 R 0.13 P 0.13 E 0.11 C Shift Assignments>> C :: 177.3600 CA :: 60.8810 CB :: 27.1680 CG :: 34.3990 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 :: 7.9130 HA :: 3.6610 HB2 :: 1.7090 HB3 :: 1.7090 HG2 :: 2.1730 HG3 :: 2.2400 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 :: 120.3430 Ave N Shift Values>> N :: 120.67(3.48) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.19 K 0.11 I 0.06 C Shift Assignments>> C :: 179.2100 CA :: 58.8630 CB :: 30.5900 CG :: 35.4330 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 :: 8.9280 HA :: 3.7050 HB2 :: 2.0670 HB3 :: 1.8840 HG2 :: 2.4810 HG3 :: 2.2820 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.1460 Ave N Shift Values>> N :: 120.67(3.48) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.6900 CA :: 66.8520 CB :: 31.0840 CG1 :: 23.1950 CG2 :: 23.2660 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 :: 8.2280 HA :: 3.7040 HB :: 2.0840 HG11 :: 1.0420 HG12 :: 1.0420 HG13 :: 1.0420 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 :: 122.1910 Ave N Shift Values>> N :: 121.14(4.54) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 R 0.37 K 0.02 G 0.02 C Shift Assignments>> C :: 177.2100 CA :: 58.8220 CB :: 42.0790 CG :: 26.9980 CD1 :: 24.5750 CD2 :: 27.2460 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 :: 8.1180 HA :: 3.8710 HB2 :: 1.3960 HB3 :: 1.4430 HG :: 1.8850 HD11 :: 0.9460 HD12 :: 0.9460 HD13 :: 0.9460 HD21 :: 0.8960 HD22 :: 0.8960 HD23 :: 0.8960 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.2520 Ave N Shift Values>> N :: 121.86(3.9) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.16 G 0.01 C Shift Assignments>> C :: 177.1800 CA :: 58.8520 CB :: 33.0560 CG :: 24.1710 CD :: 29.0360 CE :: 42.1180 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 :: 8.2610 HA :: 3.8320 HB2 :: 1.6430 HB3 :: 1.6430 HG2 :: 1.2830 HG3 :: 1.3930 HD2 :: 1.8200 HD3 :: 1.8200 HE2 :: 3.0180 HE3 :: 3.0180 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 :: 116.8090 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.27 F 0.14 Y 0.13 L 0.12 I 0.01 C Shift Assignments>> C :: 176.5600 CA :: 54.5760 CB :: 39.7090 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 :: 8.3300 HA :: 4.7340 HB2 :: 2.8450 HB3 :: 2.7200 HD21 :: 7.4310 HD22 :: 6.6780 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 :: 110.8970 ND2 :: 114.1490 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.16 K 0.13 HN Overlap>> 1.M20 1.M20 C Shift Assignments>> C :: 176.2200 CA :: 57.5320 CB :: 33.2750 CG :: 27.0000 CD :: 43.4670 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 :: 7.9800 HA :: 4.6570 HB2 :: 1.9810 HB3 :: 1.9810 HG2 :: 1.5390 HG3 :: 1.6380 HD2 :: 3.1910 HD3 :: 3.1910 HE :: 7.262 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.7050 NE :: 84.180 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.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.5500 CA :: 64.9310 CB :: 33.9230 CG1 :: 21.2990 CG2 :: 22.0940 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 :: 7.7310 HA :: 4.0810 HB :: 2.0060 HG11 :: 0.9900 HG12 :: 0.9900 HG13 :: 0.9900 HG21 :: 0.9330 HG22 :: 0.9330 HG23 :: 0.9330 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.3260 Ave N Shift Values>> N :: 121.14(4.54) 1.M55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.84 A 0.15 C Shift Assignments>> C :: 174.8100 CA :: 55.4200 CB :: 34.0420 CG :: 33.1700 CE :: 16.1400 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.1660 HA :: 4.4950 HB2 :: 1.7760 HB3 :: 2.0130 HG2 :: 2.3370 HG3 :: 2.4710 HE1 :: 2.0360 HE2 :: 2.0360 HE3 :: 2.0360 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.5470 Ave N Shift Values>> N :: 120.09(3.57) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 G 0.01 C Shift Assignments>> C :: 177.2000 CA :: 58.5540 CB :: 32.2000 CG :: 24.8440 CD :: 29.0670 CE :: 42.0080 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 :: 8.1860 HA :: 4.3420 HB2 :: 1.7460 HB3 :: 1.8770 HG2 :: 1.3510 HG3 :: 1.3510 HD2 :: 1.6500 HD3 :: 1.6500 HE2 :: 2.9850 HE3 :: 2.9850 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.6280 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.9900 CA :: 57.7470 CB :: 63.3680 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8640 HA :: 4.4270 HB2 :: 3.7790 HB3 :: 3.9110 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 :: 112.3470 Ave N Shift Values>> N :: 116.28(3.52) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.5700 CA :: 61.2650 CB :: 33.2700 CG1 :: 20.7400 CG2 :: 21.2250 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 :: 7.7990 HA :: 4.3650 HB :: 2.1120 HG11 :: 0.8840 HG12 :: 0.8840 HG13 :: 0.8840 HG21 :: 0.8540 HG22 :: 0.8540 HG23 :: 0.8540 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 :: 118.3790 Ave N Shift Values>> N :: 121.14(4.54) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.41 N 0.21 L 0.21 K 0.06 F 0.04 Y 0.02 R 0.01 C Shift Assignments>> C :: 174.1800 CA :: 51.6170 CB :: 41.4320 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 :: 8.6140 HA :: 4.9830 HB2 :: 2.6280 HB3 :: 2.6930 HD21 :: 7.2330 HD22 :: 6.8590 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.9820 ND2 :: 112.0120 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.3400 CA :: 60.1020 CB :: 35.1630 CG1 :: 27.6260 CG2 :: 18.1330 CD1 :: 12.1010 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.8070 HA :: 4.4240 HB :: 2.1150 HG12 :: 1.5230 HG13 :: 1.3910 HG21 :: 0.7890 HG22 :: 0.7890 HG23 :: 0.7890 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 :: 125.2210 Ave N Shift Values>> N :: 121.46(4.28) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.88 R 0.1 C Shift Assignments>> C :: 176.1900 CA :: 57.3210 CB :: 34.1420 CG :: 24.7300 CD :: 29.1650 CE :: 41.8180 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.4640 HA :: 4.2000 HB2 :: 1.6040 HB3 :: 1.6040 HG2 :: 1.3260 HG3 :: 1.4470 HD2 :: 1.5820 HD3 :: 1.6590 HE2 :: 2.9530 HE3 :: 2.9530 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 :: 129.4170 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.28 K 0.13 R 0.11 F 0.05 N 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 172.7600 CA :: 53.7070 CB :: 42.2920 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 :: 7.4830 HA :: 4.8390 HB2 :: 2.5440 HB3 :: 2.7800 HD21 :: 7.5800 HD22 :: 6.8910 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 :: 112.6870 ND2 :: 113.3150 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.0100 CA :: 61.3240 CB :: 40.8730 CG1 :: 26.9230 CG2 :: 18.0670 CD1 :: 14.4310 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 :: 8.1020 HA :: 4.7260 HB :: 1.5750 HG12 :: 1.6440 HG13 :: 1.6440 HG21 :: 0.7120 HG22 :: 0.7120 HG23 :: 0.7120 HD11 :: 0.7970 HD12 :: 0.7970 HD13 :: 0.7970 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.5450 Ave N Shift Values>> N :: 121.46(4.28) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 L 0.16 C Shift Assignments>> C :: 176.1200 CA :: 50.2120 CB :: 21.9480 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8400 HA :: 4.7960 HB1 :: 1.2830 HB2 :: 1.2830 HB3 :: 1.2830 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.3350 Ave N Shift Values>> N :: 123.23(3.54) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 A 0.45 R 0.03 G 0.01 C Shift Assignments>> C :: 176.2700 CA :: 53.0080 CB :: 42.0440 CG :: 26.8400 CD1 :: 21.7600 CD2 :: 25.4200 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 :: 8.8710 HA :: 5.1140 HB2 :: 1.5030 HB3 :: 1.7380 HG :: 1.6590 HD11 :: 0.8590 HD12 :: 0.8590 HD13 :: 0.8590 HD21 :: 0.8740 HD22 :: 0.8740 HD23 :: 0.8740 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.7210 Ave N Shift Values>> N :: 121.86(3.9) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 172.4300 CA :: 45.6550 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0140 HA2 :: 3.5070 HA3 :: 4.4660 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.1280 Ave N Shift Values>> N :: 109.67(3.87) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.5300 CA :: 62.4910 CB :: 73.4360 CG2 :: 21.3000 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 :: 7.6970 HA :: 5.0670 HB :: 3.8010 HG21 :: 1.0120 HG22 :: 1.0120 HG23 :: 1.0120 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.1390 Ave N Shift Values>> N :: 115.42(4.75) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 E 0.37 C Shift Assignments>> C :: 173.8700 CA :: 54.7980 CB :: 33.1580 CG :: 36.5150 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 :: 9.6480 HA :: 4.5640 HB2 :: 1.7070 HB3 :: 1.8440 HG2 :: 2.1260 HG3 :: 2.1260 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 :: 128.5010 Ave N Shift Values>> N :: 120.67(3.48) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.1500 CA :: 60.3950 CB :: 38.2750 CG1 :: 27.3090 CG2 :: 17.6550 CD1 :: 12.8250 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 :: 8.3030 HA :: 4.7150 HB :: 1.7110 HG12 :: 1.1020 HG13 :: 1.4540 HG21 :: 0.7670 HG22 :: 0.7670 HG23 :: 0.7670 HD11 :: 0.7790 HD12 :: 0.7790 HD13 :: 0.7790 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.0360 Ave N Shift Values>> N :: 121.46(4.28) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 G 0.24 R 0.03 A 0.02 C Shift Assignments>> C :: 175.6000 CA :: 53.4540 CB :: 43.9640 CG :: 27.0850 CD1 :: 25.1040 CD2 :: 23.8690 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 :: 9.0130 HA :: 4.6560 HB2 :: 1.5520 HB3 :: 1.5520 HG :: 1.5090 HD11 :: 0.8050 HD12 :: 0.8050 HD13 :: 0.8050 HD21 :: 0.7860 HD22 :: 0.7860 HD23 :: 0.7860 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 :: 129.6060 Ave N Shift Values>> N :: 121.86(3.9) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.12 G 0.01 HN Overlap>> 1.E90 1.E90 1.E92 1.E92 C Shift Assignments>> C :: 176.8400 CA :: 54.8840 CB :: 33.8400 CG :: 24.8070 CD :: 29.0690 CE :: 42.1020 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 :: 8.3240 HA :: 4.8430 HB2 :: 1.7040 HB3 :: 1.7040 HG2 :: 1.3800 HG3 :: 1.3800 HD2 :: 1.6420 HD3 :: 1.6420 HE2 :: 2.9630 HE3 :: 2.9630 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 :: 121.4320 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.7600 CA :: 57.0960 CB :: 65.1520 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8630 HA :: 4.6530 HB2 :: 3.8660 HB3 :: 4.2570 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 :: 119.8060 Ave N Shift Values>> N :: 116.28(3.52) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 Y 0.21 E 0.15 F 0.15 D 0.06 M 0.06 I 0.03 L 0.02 K 0.01 C Shift Assignments>> C :: 176.2200 CA :: 55.3360 CB :: 37.5890 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.5650 HB2 :: 3.0020 HB3 :: 2.9220 HD21 :: 7.6160 HD22 :: 6.9220 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 112.3890 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.4200 CA :: 61.2000 CB :: 69.4020 CG2 :: 21.7200 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 :: 7.8750 HA :: 4.4340 HB :: 4.5070 HG21 :: 1.2150 HG22 :: 1.2150 HG23 :: 1.2150 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 :: 108.5350 Ave N Shift Values>> N :: 115.42(4.75) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 173.7100 CA :: 45.3940 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9760 HA2 :: 3.6310 HA3 :: 4.2870 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.1410 Ave N Shift Values>> N :: 109.67(3.87) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.2 G 0.01 C Shift Assignments>> C :: 175.9800 CA :: 55.4500 CB :: 33.1120 CG :: 24.7490 CD :: 28.8800 CE :: 42.1570 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 :: 7.4520 HA :: 4.3380 HB2 :: 1.6390 HB3 :: 1.7560 HG2 :: 1.3480 HG3 :: 1.3930 HD2 :: 1.6370 HD3 :: 1.6370 HE2 :: 2.9830 HE3 :: 2.9830 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.3010 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.72 M 0.18 I 0.05 K 0.03 C Shift Assignments>> C :: 176.0100 CA :: 56.6200 CB :: 30.6880 CG :: 37.0560 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 :: 8.5700 HA :: 4.6770 HB2 :: 1.8200 HB3 :: 1.9280 HG2 :: 2.0260 HG3 :: 2.2850 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.6520 Ave N Shift Values>> N :: 120.67(3.48) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.0900 CA :: 59.9580 CB :: 41.3030 CG1 :: 26.6950 CG2 :: 17.5490 CD1 :: 13.2270 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 :: 8.8190 HA :: 4.4120 HB :: 1.8050 HG12 :: 1.0560 HG13 :: 1.3910 HG21 :: 0.8630 HG22 :: 0.8630 HG23 :: 0.8630 HD11 :: 0.7820 HD12 :: 0.7820 HD13 :: 0.7820 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.9750 Ave N Shift Values>> N :: 121.46(4.28) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.32 L 0.1 F 0.06 Y 0.05 C Shift Assignments>> C :: 174.5900 CA :: 52.5040 CB :: 39.9560 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 :: 8.3800 HA :: 5.2440 HB2 :: 2.5210 HB3 :: 2.6470 HD21 :: 7.1180 HD22 :: 6.7480 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.5830 ND2 :: 111.0700 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.0800 CA :: 60.6090 CB :: 35.1800 CG1 :: 21.1300 CG2 :: 21.1300 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 :: 9.0900 HA :: 4.5350 HB :: 1.9910 HG11 :: 0.9780 HG12 :: 0.9780 HG13 :: 0.9780 HG21 :: 0.9780 HG22 :: 0.9780 HG23 :: 0.9780 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.0390 Ave N Shift Values>> N :: 121.14(4.54) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.6600 CA :: 59.8480 CB :: 64.0380 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.2040 HA :: 5.2610 HB2 :: 3.6710 HB3 :: 3.8890 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 :: 123.7780 Ave N Shift Values>> N :: 116.28(3.52) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.5400 CA :: 59.8200 CB :: 71.8390 CG2 :: 21.7400 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 :: 8.8300 HA :: 5.1010 HB :: 4.2380 HG21 :: 1.0360 HG22 :: 1.0360 HG23 :: 1.0360 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.2600 Ave N Shift Values>> N :: 115.42(4.75) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 G 0.34 A 0.01 HN Overlap>> 1.R36 1.R36 C Shift Assignments>> C :: 172.4500 CA :: 59.5830 CB :: 43.0930 CG1 :: 30.2790 CG2 :: 17.5590 CD1 :: 13.3640 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 :: 8.5070 HA :: 5.1790 HB :: 1.3380 HG12 :: 0.9070 HG13 :: 1.6160 HG21 :: 0.7350 HG22 :: 0.7350 HG23 :: 0.7350 HD11 :: 0.5300 HD12 :: 0.5300 HD13 :: 0.5300 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 :: 116.6910 Ave N Shift Values>> N :: 121.46(4.28) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 E 0.43 C Shift Assignments>> C :: 176.4200 CA :: 55.0400 CB :: 32.8170 CG :: 36.7580 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 :: 8.2720 HA :: 5.2880 HB2 :: 1.7670 HB3 :: 1.8250 HG2 :: 1.9310 HG3 :: 2.2760 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 :: 124.1070 Ave N Shift Values>> N :: 120.67(3.48) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.6200 CA :: 60.6770 CB :: 41.4650 CG1 :: 27.6040 CG2 :: 17.5730 CD1 :: 14.1640 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 :: 9.6360 HA :: 4.6270 HB :: 1.8320 HG12 :: 1.5850 HG13 :: 1.5850 HG21 :: 0.8300 HG22 :: 0.8300 HG23 :: 0.8300 HD11 :: 0.6980 HD12 :: 0.6980 HD13 :: 0.6980 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.7250 Ave N Shift Values>> N :: 121.46(4.28) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.6600 CA :: 63.0470 CB :: 68.4180 CG2 :: 21.2900 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 :: 9.2200 HA :: 4.9010 HB :: 4.0040 HG21 :: 1.0570 HG22 :: 1.0570 HG23 :: 1.0570 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 :: 125.0650 Ave N Shift Values>> N :: 115.42(4.75) 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.5900 CA :: 60.0870 CB :: 40.1360 CG1 :: 27.0520 CG2 :: 18.0950 CD1 :: 14.0650 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 :: 9.4310 HA :: 4.9120 HB :: 1.9440 HG12 :: 1.0470 HG13 :: 1.7230 HG21 :: 0.9570 HG22 :: 0.9570 HG23 :: 0.9570 HD11 :: 0.7600 HD12 :: 0.7600 HD13 :: 0.7600 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 :: 127.3220 Ave N Shift Values>> N :: 121.46(4.28) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 173.8500 CA :: 56.4560 CB :: 66.3040 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.3150 HA :: 5.5110 HB2 :: 3.9390 HB3 :: 3.7980 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 :: 119.4300 Ave N Shift Values>> N :: 116.28(3.52) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.16 G 0.02 C Shift Assignments>> C :: 175.9100 CA :: 56.6450 CB :: 33.3190 CG :: 24.5550 CD :: 29.6020 CE :: 42.3960 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 :: 8.1520 HA :: 4.1020 HB2 :: 1.2590 HB3 :: 1.3850 HG2 :: 0.8880 HG3 :: 1.0490 HD2 :: 1.5090 HD3 :: 1.5090 HE2 :: 2.8180 HE3 :: 2.9330 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 :: 122.8480 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.28 K 0.07 I 0.01 HN Overlap>> 1.K71 1.E92 1.K71 1.E92 C Shift Assignments>> C :: 175.8000 CA :: 55.8630 CB :: 30.6980 CG :: 36.0060 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2470 HA :: 4.2900 HB2 :: 1.8560 HB3 :: 1.9610 HG2 :: 2.1670 HG3 :: 2.1670 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 :: 121.4270 Ave N Shift Values>> N :: 120.67(3.48) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.05 G 0.03 A 0.02 C Shift Assignments>> C :: 177.0700 CA :: 55.1810 CB :: 42.5930 CG :: 26.9690 CD1 :: 23.5250 CD2 :: 24.7910 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 :: 8.3520 HA :: 4.2520 HB2 :: 1.5180 HB3 :: 1.5180 HG :: 1.5720 HD11 :: 0.8080 HD12 :: 0.8080 HD13 :: 0.8080 HD21 :: 0.8740 HD22 :: 0.8740 HD23 :: 0.8740 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.6520 Ave N Shift Values>> N :: 121.86(3.9) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 M 0.2 K 0.09 I 0.03 HN Overlap>> 1.E90 1.K71 1.E90 1.K71 C Shift Assignments>> C :: 176.0200 CA :: 56.6260 CB :: 30.4320 CG :: 36.1590 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 :: 8.3050 HA :: 4.1620 HB2 :: 1.8700 HB3 :: 1.8700 HG2 :: 2.1140 HG3 :: 2.1670 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 :: 121.3960 Ave N Shift Values>> N :: 120.67(3.48) 1.H93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 174.7300 CA :: 55.5220 CB :: 30.0090 CD2 :: 119.8000 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.3480 HA :: 4.5590 HB2 :: 3.0340 HB3 :: 3.0340 HD2 :: 7.0510 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.9340 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H95 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.26 R 0.23 E 0.21 K 0.16 M 0.1 I 0.01 C Shift Assignments>> C :: 173.8700 CA :: 55.8500 CB :: 29.9100 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 :: 4.6130 HB2 :: 3.1190 HB3 :: 3.1690 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) 1.H98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.24 H 0.23 R 0.23 K 0.14 M 0.09 I 0.02 V 0.01 C Shift Assignments>> C :: 179.0400 CA :: 57.1830 CB :: 30.0930 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 :: 8.1420 HA :: 4.4340 HB2 :: 3.2250 HB3 :: 3.0910 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 :: 125.2890 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 97 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 94 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 98 #Suspicious: 0 C Shift Results: #Consistent: 425 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 705 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 100 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A35 CB = 25.1270(S), Expected = 19.01, Std = 1.8300, ChiSquare = 8.2991e-04