Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.41 L 0.29 D 0.07 K 0.06 F 0.06 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> CA :: 43.0880 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.8340 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> CA :: 52.5470 CB :: 19.3190 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6810 HA :: 4.3400 HB1 :: 1.3880 HB2 :: 1.3880 HB3 :: 1.3880 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.8820 Ave N Shift Values>> N :: 123.23(3.54) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 Q 0.2 K 0.03 C Shift Assignments>> CA :: 55.4890 CB :: 32.4270 CG :: 31.9550 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 :: 8.5800 HA :: 4.4900 HB2 :: 2.0310 HB3 :: 2.1230 HG2 :: 2.5440 HG3 :: 2.6210 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 :: 119.5250 Ave N Shift Values>> N :: 120.09(3.57) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.15 R 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.9860 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4990 HA2 :: 3.9920 HA3 :: 3.9920 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.4350 Ave N Shift Values>> N :: 109.67(3.87) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 L 0.3 R 0.23 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> CA :: 44.1510 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2160 HA2 :: 4.0470 HA3 :: 4.2160 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.0800 Ave N Shift Values>> N :: 109.67(3.87) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.2880 CB :: 31.9350 CG :: 26.9990 CD :: 49.5070 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 :: 4.3960 HB2 :: 1.9510 HB3 :: 2.2740 HG2 :: 2.0070 HG3 :: 2.0070 HD2 :: 3.6530 HD3 :: 3.6020 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.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 K 0.13 Q 0.11 M 0.11 I 0.04 C Shift Assignments>> CA :: 56.4960 CB :: 29.9610 CG :: 36.1210 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 :: 8.6660 HA :: 4.2610 HB2 :: 1.9100 HB3 :: 2.0720 HG2 :: 2.2670 HG3 :: 2.2670 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.0280 Ave N Shift Values>> N :: 120.67(3.48) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.12 F 0.11 Y 0.09 N 0.08 R 0.01 C Shift Assignments>> CA :: 54.7980 CB :: 41.1360 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 :: 8.2290 HA :: 4.6810 HB2 :: 2.6450 HB3 :: 2.7600 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 :: 121.1890 Ave N Shift Values>> N :: 120.65(3.86) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.7970 CB :: 69.5340 CG2 :: 21.3920 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 :: 8.1890 HA :: 4.4410 HB :: 4.3330 HG21 :: 1.2010 HG22 :: 1.2010 HG23 :: 1.2010 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 :: 114.5650 Ave N Shift Values>> N :: 115.42(4.75) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 62.5670 CB :: 69.4680 CG2 :: 21.6460 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 :: 8.3100 HA :: 4.3150 HB :: 4.2450 HG21 :: 1.2190 HG22 :: 1.2190 HG23 :: 1.2190 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 :: 116.4000 Ave N Shift Values>> N :: 115.42(4.75) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.36 E 0.09 M 0.08 R 0.04 C Shift Assignments>> CA :: 56.1410 CB :: 29.4140 CG :: 33.7710 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 :: 8.4190 HA :: 4.3340 HB2 :: 1.9810 HB3 :: 2.1270 HG2 :: 2.3590 HG3 :: 2.3590 HE21 :: 6.7530 HE22 :: 7.6140 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 :: 122.2530 NE2 :: 112.6010 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 F 0.14 K 0.11 Y 0.11 N 0.08 R 0.01 C Shift Assignments>> CA :: 55.1470 CB :: 40.9940 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 :: 8.3480 HA :: 4.5390 HB2 :: 2.6650 HB3 :: 2.6650 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 :: 121.6380 Ave N Shift Values>> N :: 120.65(3.86) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.19 F 0.16 Y 0.14 N 0.11 K 0.05 I 0.01 C Shift Assignments>> CA :: 55.2340 CB :: 40.5230 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 :: 8.3030 HA :: 4.5140 HB2 :: 2.6920 HB3 :: 2.6920 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 :: 121.0730 Ave N Shift Values>> N :: 120.65(3.86) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.21 F 0.17 Y 0.14 K 0.11 N 0.06 I 0.01 C Shift Assignments>> CA :: 55.7310 CB :: 40.8770 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 :: 8.3130 HA :: 4.4660 HB2 :: 2.7190 HB3 :: 2.7190 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 :: 120.8460 Ave N Shift Values>> N :: 120.65(3.86) 1.M15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 Q 0.18 K 0.07 C Shift Assignments>> CA :: 57.5440 CB :: 31.6660 CG :: 32.0460 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 :: 8.4230 HA :: 4.2450 HB2 :: 2.1820 HB3 :: 2.1820 HG2 :: 2.5480 HG3 :: 2.5480 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 :: 121.3330 Ave N Shift Values>> N :: 120.09(3.57) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 R 0.08 C Shift Assignments>> CA :: 60.0980 CB :: 32.1050 CG :: 24.9700 CD :: 29.5310 CE :: 41.7110 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 :: 8.0830 HA :: 3.8480 HB2 :: 1.8490 HB3 :: 1.8490 HG2 :: 1.3010 HG3 :: 1.5630 HD2 :: 1.7040 HD3 :: 1.7040 HE2 :: 3.0040 HE3 :: 3.0040 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 :: 119.2000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.36 E 0.1 R 0.08 M 0.03 I 0.02 C Shift Assignments>> CA :: 57.6420 CB :: 28.5570 CG :: 33.9370 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 :: 8.0080 HA :: 4.0900 HB2 :: 2.0570 HB3 :: 2.0570 HG2 :: 2.4520 HG3 :: 2.3840 HE21 :: 6.8080 HE22 :: 7.5220 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 :: 116.4040 NE2 :: 112.0410 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q30 1.Q30 C Shift Assignments>> CA :: 60.9650 CB :: 62.4980 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0850 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 :: 117.5010 Ave N Shift Values>> N :: 116.28(3.52) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 63.3730 CB :: 37.0170 CG1 :: 29.6480 CG2 :: 18.4590 CD1 :: 13.1950 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 :: 7.9270 HA :: 3.8170 HB :: 2.0410 HG12 :: 1.3240 HG13 :: 1.5350 HG21 :: 0.9160 HG22 :: 0.9160 HG23 :: 0.9160 HD11 :: 0.8730 HD12 :: 0.8730 HD13 :: 0.8730 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 :: 120.3060 Ave N Shift Values>> N :: 121.46(4.28) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.4670 CB :: 31.5590 CG1 :: 21.5000 CG2 :: 22.9030 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 :: 7.3460 HA :: 3.4810 HB :: 2.0840 HG11 :: 0.9950 HG12 :: 0.9950 HG13 :: 0.9950 HG21 :: 1.0780 HG22 :: 1.0780 HG23 :: 1.0780 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 :: 118.6620 Ave N Shift Values>> N :: 121.14(4.54) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> CA :: 59.5680 CB :: 31.4940 CG :: 24.7180 CD :: 28.0210 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 :: 7.3400 HA :: 3.9730 HB2 :: 1.6950 HB3 :: 1.6950 HG2 :: 1.2180 HG3 :: 1.2180 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 :: 117.8380 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 HN Overlap>> 1.E85 1.E85 C Shift Assignments>> CA :: 59.2540 CB :: 28.1130 CD1 :: 125.2100 CE3 :: 120.0200 CZ2 :: 114.0600 CZ3 :: 120.9800 CH2 :: 124.0500 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.2340 HA :: 4.5650 HB2 :: 3.0310 HB3 :: 3.2360 HD1 :: 7.1450 HE1 :: 10.0880 HE3 :: 7.2190 HZ2 :: 7.3510 HZ3 :: 6.8380 HH2 :: 7.0070 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.2160 NE1 :: 127.7030 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> CA :: 57.9950 CB :: 41.3630 CG :: 26.2520 CD1 :: 23.9320 CD2 :: 23.9340 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 :: 8.5650 HA :: 3.9800 HB2 :: 1.0720 HB3 :: 2.1110 HG :: 0.8340 HD11 :: 0.8150 HD12 :: 0.8150 HD13 :: 0.8150 HD21 :: 0.8150 HD22 :: 0.8150 HD23 :: 0.8150 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 :: 117.7230 Ave N Shift Values>> N :: 121.86(3.9) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 F 0.47 HN Overlap>> 1.N27 1.N27 C Shift Assignments>> CA :: 61.1410 CB :: 38.1000 CD1 :: 131.4580 CE1 :: 129.5830 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 :: 7.9460 HA :: 4.4100 HB2 :: 3.0510 HB3 :: 3.3800 HD1 :: 7.5030 HE1 :: 7.2860 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 :: 116.6160 Ave N Shift Values>> N :: 120.45(4.18) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 K 0.13 Q 0.08 I 0.07 M 0.07 HN Overlap>> 1.E104 1.E104 C Shift Assignments>> CA :: 56.9730 CB :: 29.7250 CG :: 36.3300 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.8120 HA :: 4.4630 HB2 :: 2.3550 HB3 :: 2.3550 HG2 :: 2.6560 HG3 :: 2.4080 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 :: 118.5090 Ave N Shift Values>> N :: 120.67(3.48) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 A 0.27 R 0.19 G 0.07 C Shift Assignments>> CA :: 53.4740 CB :: 42.7790 CG :: 26.6580 CD1 :: 22.3200 CD2 :: 26.7850 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 :: 7.0230 HA :: 4.4960 HB2 :: 1.9310 HB3 :: 1.9310 HG :: 1.9420 HD11 :: 0.8280 HD12 :: 0.8280 HD13 :: 0.8280 HD21 :: 0.7780 HD22 :: 0.7780 HD23 :: 0.7780 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 :: 117.8060 Ave N Shift Values>> N :: 121.86(3.9) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.12 Y 0.06 F 0.05 L 0.02 M 0.01 E 0.01 HN Overlap>> 1.F24 1.F24 C Shift Assignments>> CA :: 52.6220 CB :: 38.2700 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 :: 7.9230 HA :: 4.6410 HB2 :: 2.7250 HB3 :: 3.2250 HD21 :: 6.8130 HD22 :: 7.5960 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 :: 116.5600 ND2 :: 112.7260 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.32 I 0.07 V 0.01 HN Overlap>> 1.Q66 1.V51 1.Q66 1.V51 C Shift Assignments>> CA :: 55.9360 CB :: 18.5840 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5800 HA :: 3.8640 HB1 :: 1.4560 HB2 :: 1.4560 HB3 :: 1.4560 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.0520 Ave N Shift Values>> N :: 123.23(3.54) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.34 HN Overlap>> 1.L107 1.L107 C Shift Assignments>> CA :: 58.5790 CB :: 31.6190 CG :: 24.6890 CD :: 28.1680 CE :: 41.9250 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 :: 4.1450 HB2 :: 1.7300 HB3 :: 1.9160 HG2 :: 1.5380 HG3 :: 1.5110 HD2 :: 1.8620 HD3 :: 1.8620 HE2 :: 2.9490 HE3 :: 2.9490 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 :: 118.6960 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.38 E 0.09 M 0.06 R 0.04 I 0.01 HN Overlap>> 1.S18 1.S18 C Shift Assignments>> CA :: 58.6340 CB :: 29.4100 CG :: 33.6860 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 :: 8.0290 HA :: 3.6690 HB2 :: 1.6590 HB3 :: 2.2530 HG2 :: 2.6590 HG3 :: 2.3980 HE21 :: 6.6880 HE22 :: 7.7370 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 :: 117.5030 NE2 :: 109.2650 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 G 0.32 K 0.01 C Shift Assignments>> CA :: 59.6470 CB :: 29.5280 CG :: 27.5230 CD :: 43.9530 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 :: 8.2540 HA :: 3.7120 HB2 :: 1.8630 HB3 :: 1.7900 HG2 :: 1.5760 HG3 :: 1.5760 HD2 :: 3.1990 HD3 :: 3.1990 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.6130 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.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.32 K 0.09 Q 0.04 M 0.01 C Shift Assignments>> CA :: 59.7250 CB :: 29.3320 CG :: 36.3300 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.0180 HA :: 3.8360 HB2 :: 1.9250 HB3 :: 2.1670 HG2 :: 2.2420 HG3 :: 2.2420 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 :: 117.8430 Ave N Shift Values>> N :: 120.67(3.48) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 68.0150 CB :: 31.5600 CG1 :: 21.0020 CG2 :: 24.4530 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 :: 8.1100 HA :: 3.2760 HB :: 2.0240 HG11 :: 0.7850 HG12 :: 0.7850 HG13 :: 0.7850 HG21 :: 0.9220 HG22 :: 0.9220 HG23 :: 0.9220 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 :: 116.9790 Ave N Shift Values>> N :: 121.14(4.54) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 HN Overlap>> 1.R37 1.R37 C Shift Assignments>> CA :: 58.2250 CB :: 41.3710 CG :: 26.4790 CD1 :: 23.6780 CD2 :: 23.6780 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 :: 8.0770 HA :: 4.0000 HB2 :: 1.1630 HB3 :: 1.8840 HG :: 0.6790 HD11 :: 0.9510 HD12 :: 0.9510 HD13 :: 0.9510 HD21 :: 0.9510 HD22 :: 0.9510 HD23 :: 0.9510 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 :: 116.1000 Ave N Shift Values>> N :: 121.86(3.9) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.25 I 0.07 C Shift Assignments>> CA :: 55.9210 CB :: 18.0240 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9070 HA :: 4.0490 HB1 :: 1.5340 HB2 :: 1.5340 HB3 :: 1.5340 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.6890 Ave N Shift Values>> N :: 123.23(3.54) 1.R36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.66 G 0.17 K 0.15 HN Overlap>> 1.R108 1.R108 C Shift Assignments>> CA :: 58.6490 CB :: 31.4600 CG :: 28.1860 CD :: 43.6390 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 :: 8.1890 HA :: 3.7520 HB2 :: 1.3950 HB3 :: 1.5730 HG2 :: 0.6230(S) HG3 :: 0.9680 HD2 :: 2.9730 HD3 :: 2.9730 HE :: 8.4280 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 :: 116.6980 NE :: 85.6220 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.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 K 0.23 R 0.19 HN Overlap>> 1.L34 1.L34 C Shift Assignments>> CA :: 56.2870 CB :: 28.4310 CG :: 27.8640 CD :: 40.7110 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 :: 8.0950 HA :: 4.3250 HB2 :: 0.9560 HB3 :: 1.7060 HG2 :: 1.2480 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 :: 116.1000 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 F 0.42 C Shift Assignments>> CA :: 58.8410 CB :: 39.1710 CD1 :: 132.0680 CE1 :: 129.0420 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 :: 7.8640 HA :: 4.4410 HB2 :: 2.6930 HB3 :: 3.2780 HD1 :: 7.4190 HE1 :: 7.0180 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 :: 111.1830 Ave N Shift Values>> N :: 120.45(4.18) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 P 0.06 A 0.05 L 0.04 N 0.01 C Shift Assignments>> CA :: 47.6350 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8750 HA2 :: 3.6090 HA3 :: 3.9740 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.6210 Ave N Shift Values>> N :: 109.67(3.87) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.26 C Shift Assignments>> CA :: 52.9720 CB :: 45.4820 CG :: 28.0090 CD1 :: 24.5000 CD2 :: 24.5000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.7370 HA :: 4.8090 HB2 :: 1.4150 HB3 :: 1.6120 HG :: 1.5680 HD11 :: 0.8530 HD12 :: 0.8530 HD13 :: 0.8530 HD21 :: 0.8530 HD22 :: 0.8530 HD23 :: 0.8530 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 :: 119.6470 Ave N Shift Values>> N :: 121.86(3.9) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 A 0.21 C Shift Assignments>> CA :: 55.2870 CB :: 38.5670 CG :: 26.1040 CD1 :: 22.8600 CD2 :: 25.8900 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 :: 8.9760 HA :: 3.8930 HB2 :: 1.6480 HB3 :: 2.0320 HG :: 1.4160 HD11 :: 1.0170 HD12 :: 1.0170 HD13 :: 1.0170 HD21 :: 0.8040 HD22 :: 0.8040 HD23 :: 0.8040 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 :: 111.6810 Ave N Shift Values>> N :: 121.86(3.9) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.2 R 0.07 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.7300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4260 HA2 :: 3.4320 HA3 :: 4.0490 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.2460 Ave N Shift Values>> N :: 109.67(3.87) 1.Y43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 58.2440 CB :: 38.6260 CD1 :: 133.5400 CD2 :: 133.5400 CE1 :: 117.5500 CE2 :: 117.5500 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 :: 7.3810 HA :: 4.4700 HB2 :: 2.8730 HB3 :: 3.2520 HD1 :: 7.2780 HD2 :: 7.2780 HE1 :: 6.7060 HE2 :: 6.7060 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 :: 120.5260 Ave N Shift Values>> N :: 120.52(4.2) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 M 0.25 Q 0.08 K 0.06 I 0.01 C Shift Assignments>> CA :: 54.8300 CB :: 30.5900 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 :: 8.4320 HA :: 4.4410 HB2 :: 1.8830 HB3 :: 2.0090 HG2 :: 2.2910 HG3 :: 2.2910 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 :: 120.2460 Ave N Shift Values>> N :: 120.67(3.48) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.24 C Shift Assignments>> CA :: 53.3260 CB :: 18.4660 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4430 HA :: 3.9390 HB1 :: 1.1330 HB2 :: 1.1330 HB3 :: 1.1330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.5490 Ave N Shift Values>> N :: 123.23(3.54) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 A 0.26 K 0.06 P 0.04 C Shift Assignments>> CA :: 50.2890 CB :: 23.4790 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1140 HA :: 4.9090 HB1 :: 1.3680 HB2 :: 1.3680 HB3 :: 1.3680 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.1070 Ave N Shift Values>> N :: 123.23(3.54) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.1150 CB :: 71.3180 CG2 :: 21.8790 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 :: 8.4010 HA :: 4.0850 HB :: 4.6810 HG21 :: 1.3860 HG22 :: 1.3860 HG23 :: 1.3860 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.9260 Ave N Shift Values>> N :: 115.42(4.75) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 G 0.12 R 0.1 C Shift Assignments>> CA :: 58.9580 CB :: 43.2110 CG :: 27.0200 CD1 :: 25.1500 CD2 :: 23.2760 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 :: 8.7920 HA :: 3.6590 HB2 :: 1.3450 HB3 :: 1.6840 HG :: 1.5960 HD11 :: 0.8590 HD12 :: 0.8590 HD13 :: 0.8590 HD21 :: 0.7530 HD22 :: 0.7530 HD23 :: 0.7530 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 :: 120.0060 Ave N Shift Values>> N :: 121.86(3.9) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 E 0.35 K 0.04 C Shift Assignments>> CA :: 60.1190 CB :: 28.8600 CG :: 36.9990 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 :: 9.0110 HA :: 3.8360 HB2 :: 1.8580 HB3 :: 2.0450 HG2 :: 2.1920 HG3 :: 2.5070 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 :: 115.8910 Ave N Shift Values>> N :: 120.67(3.48) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.3 L 0.11 D 0.11 I 0.07 K 0.03 N 0.02 C Shift Assignments>> CA :: 57.5240 CB :: 40.1440 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 :: 7.7870 HA :: 4.4360 HB2 :: 2.6910 HB3 :: 2.8290 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 :: 122.4670 Ave N Shift Values>> N :: 120.65(3.86) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.A28 1.A28 C Shift Assignments>> CA :: 67.0520 CB :: 31.2840 CG1 :: 23.9610 CG2 :: 23.1450 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 :: 8.6480 HA :: 3.4740 HB :: 2.0450 HG11 :: 0.8660 HG12 :: 0.8660 HG13 :: 0.8660 HG21 :: 0.7740 HG22 :: 0.7740 HG23 :: 0.7740 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 :: 121.1180 Ave N Shift Values>> N :: 121.14(4.54) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.66 A 0.15 G 0.06 N 0.06 D 0.02 C Shift Assignments>> CA :: 48.7420 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2950 HA2 :: 3.3910 HA3 :: 3.6530 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.1360 Ave N Shift Values>> N :: 109.67(3.87) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 G 0.1 K 0.08 HN Overlap>> 1.E113 1.E113 C Shift Assignments>> CA :: 59.2240 CB :: 29.9410 CG :: 27.4490 CD :: 43.1970 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 :: 7.8170 HA :: 4.0100 HB2 :: 1.9780 HB3 :: 1.9780 HG2 :: 1.7550 HG3 :: 1.5820 HD2 :: 3.2560 HD3 :: 3.2560 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 :: 120.8470 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.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 K 0.16 Q 0.14 I 0.1 M 0.06 HN Overlap>> 1.Q64 1.Q64 C Shift Assignments>> CA :: 58.7230 CB :: 29.7640 CG :: 35.6620 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 :: 7.8410 HA :: 4.1010 HB2 :: 2.0110 HB3 :: 2.0110 HG2 :: 2.3510 HG3 :: 2.3510 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 :: 117.6980 Ave N Shift Values>> N :: 120.67(3.48) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 60.8790 CB :: 38.3230 CG1 :: 25.3860 CG2 :: 16.6180 CD1 :: 14.6130 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 :: 7.9850 HA :: 4.5620 HB :: 2.0110 HG12 :: 1.1540 HG13 :: 1.3880 HG21 :: 0.7430 HG22 :: 0.7430 HG23 :: 0.7430 HD11 :: 0.5810 HD12 :: 0.5810 HD13 :: 0.5810 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 :: 110.1330 Ave N Shift Values>> N :: 121.46(4.28) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.6190 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8120 HA2 :: 3.8710 HA3 :: 3.9820 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.8140 Ave N Shift Values>> N :: 109.67(3.87) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 G 0.39 L 0.16 C Shift Assignments>> CA :: 52.7660 CB :: 47.8410 CG :: 26.2220 CD1 :: 23.2140 CD2 :: 25.8800 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 :: 8.2950 HA :: 4.9120 HB2 :: 1.2810 HB3 :: 1.4550 HG :: 1.4590 HD11 :: 0.9070 HD12 :: 0.9070 HD13 :: 0.9070 HD21 :: 0.6680 HD22 :: 0.6680 HD23 :: 0.6680 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 :: 119.7660 Ave N Shift Values>> N :: 121.86(3.9) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.9380 CB :: 70.5810 CG2 :: 22.1520 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 :: 7.8700 HA :: 4.2430 HB :: 4.7050 HG21 :: 1.3550 HG22 :: 1.3550 HG23 :: 1.3550 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 :: 110.0320 Ave N Shift Values>> N :: 115.42(4.75) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 G 0.18 K 0.03 L 0.01 C Shift Assignments>> CA :: 59.6660 CB :: 29.6610 CG :: 27.2130 CD :: 43.5500 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 :: 8.9290 HA :: 3.7050 HB2 :: 1.7770 HB3 :: 1.8620 HG2 :: 1.5860 HG3 :: 1.5860 HD2 :: 3.1990 HD3 :: 3.1990 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.2020 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.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.25 K 0.15 Q 0.08 C Shift Assignments>> CA :: 58.9590 CB :: 28.7610 CG :: 36.0750 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 :: 8.4470 HA :: 4.1340 HB2 :: 1.8580 HB3 :: 2.0380 HG2 :: 2.2320 HG3 :: 2.4240 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 :: 117.0420 Ave N Shift Values>> N :: 120.67(3.48) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 K 0.26 L 0.08 G 0.02 C Shift Assignments>> CA :: 57.9950 CB :: 29.0170 CG :: 27.0900 CD :: 42.5040 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 :: 7.7090 HA :: 4.1360 HB2 :: 1.9180 HD2 :: 3.1880 HD3 :: 3.1880 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 :: 120.9410 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.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.0520 CB :: 30.6160 CG1 :: 23.2630 CG2 :: 23.2630 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 :: 8.3160 HA :: 3.3710 HB :: 2.1020 HG11 :: 0.8900 HG12 :: 0.8900 HG13 :: 0.8900 HG21 :: 0.8900 HG22 :: 0.8900 HG23 :: 0.8900 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 :: 118.5250 Ave N Shift Values>> N :: 121.14(4.54) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 K 0.13 G 0.08 L 0.01 HN Overlap>> 1.E68 1.R72 1.E68 1.R72 C Shift Assignments>> CA :: 59.7250 CB :: 29.7250 CG :: 26.9720 CD :: 42.9750 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 :: 8.1570 HA :: 3.6530 HB2 :: 1.8050 HB3 :: 2.0590 HG2 :: 1.5970 HG3 :: 1.5970 HD2 :: 3.2540 HD3 :: 3.0460 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 :: 119.9230 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.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.34 R 0.16 E 0.03 M 0.03 I 0.02 HN Overlap>> 1.E54 1.E54 C Shift Assignments>> CA :: 59.0570 CB :: 28.1780 CG :: 33.3680 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 :: 3.9430 HB2 :: 2.1310 HB3 :: 2.2750 HG2 :: 2.3660 HG3 :: 2.6110 HE21 :: 6.7650 HE22 :: 7.8110 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 :: 117.6780 NE2 :: 111.8750 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 65.1510 CB :: 37.9420 CG1 :: 28.9780 CG2 :: 18.4660 CD1 :: 14.4160 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 :: 8.1390 HA :: 3.7730 HB :: 1.7830 HG12 :: 0.9830 HG13 :: 1.8390 HG21 :: 0.8160 HG22 :: 0.8160 HG23 :: 0.8160 HD11 :: 0.7060 HD12 :: 0.7060 HD13 :: 0.7060 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.6710 Ave N Shift Values>> N :: 121.46(4.28) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 E 0.28 Q 0.27 I 0.11 M 0.02 R 0.01 HN Overlap>> 1.A28 1.A28 C Shift Assignments>> CA :: 59.6470 CB :: 29.1350 CG :: 34.7580 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 :: 8.6420 HA :: 3.7770 HB2 :: 2.0280 HB3 :: 2.3920 HG2 :: 1.9710 HG3 :: 2.1430 HE21 :: 6.7770 HE22 :: 6.8920 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 :: 121.0030 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.8680 CB :: 31.5300 CG1 :: 20.7140 CG2 :: 22.7590 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 :: 8.4420 HA :: 3.5730 HB :: 2.2110 HG11 :: 0.9560 HG12 :: 0.9560 HG13 :: 0.9560 HG21 :: 1.1190 HG22 :: 1.1190 HG23 :: 1.1190 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 :: 118.4810 Ave N Shift Values>> N :: 121.14(4.54) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.27 K 0.09 Q 0.04 M 0.02 HN Overlap>> 1.R63 1.R63 C Shift Assignments>> CA :: 59.3320 CB :: 29.4490 CG :: 36.4090 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 :: 8.2100 HA :: 4.0100 HB2 :: 1.9930 HB3 :: 2.2290 HG2 :: 2.4890 HG3 :: 2.4890 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 :: 120.0050 Ave N Shift Values>> N :: 120.67(3.48) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 C Shift Assignments>> CA :: 47.1430 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0800 HA2 :: 3.4930 HA3 :: 3.7900 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.2310 Ave N Shift Values>> N :: 109.67(3.87) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 C Shift Assignments>> CA :: 58.1920 CB :: 41.4810 CG :: 26.9590 CD1 :: 24.0890 CD2 :: 24.0890 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 :: 8.5960 HA :: 3.9250 HB2 :: 1.2430 HB3 :: 2.0410 HG :: 0.9010 HD11 :: 0.6090 HD12 :: 0.6090 HD13 :: 0.6090 HD21 :: 0.6090 HD22 :: 0.6090 HD23 :: 0.6090 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 :: 121.4390 Ave N Shift Values>> N :: 121.86(3.9) 1.R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 G 0.17 K 0.03 C Shift Assignments>> CA :: 59.5290 CB :: 29.8430 CG :: 27.3660 CD :: 43.5260 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 :: 8.2380 HA :: 3.9030 HB2 :: 1.9180 HB3 :: 1.9180 HG2 :: 1.5690 HG3 :: 1.7790 HD2 :: 3.1570 HD3 :: 3.1570 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 :: 119.5070 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.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 K 0.28 L 0.08 G 0.02 HN Overlap>> 1.R63 1.R63 C Shift Assignments>> CA :: 57.7760 CB :: 29.0560 CG :: 27.0120 CD :: 42.5040 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 :: 8.1270 HA :: 4.1360 HB2 :: 1.9330 HD2 :: 3.1870 HD3 :: 3.1870 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 :: 119.8800 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.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> CA :: 57.7590 CB :: 41.2060 CG :: 26.5010 CD1 :: 23.9710 CD2 :: 23.9710 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 :: 8.3100 HA :: 3.8820 HB2 :: 1.1250 HB3 :: 1.9320 HG :: 0.7410 HD11 :: 0.7130 HD12 :: 0.7130 HD13 :: 0.7130 HD21 :: 0.7130 HD22 :: 0.7130 HD23 :: 0.7130 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 :: 118.3920 Ave N Shift Values>> N :: 121.86(3.9) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 G 0.21 K 0.03 C Shift Assignments>> CA :: 60.3150 CB :: 29.6070 CG :: 27.6800 CD :: 43.4860 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 :: 8.0500 HA :: 3.3580 HB2 :: 1.7410 HB3 :: 1.9420 HG2 :: 1.3060 HG3 :: 1.4810 HD2 :: 3.1260 HD3 :: 3.1260 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 :: 119.3330 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.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 I 0.18 K 0.1 Q 0.06 M 0.05 C Shift Assignments>> CA :: 59.1750 CB :: 29.9210 CG :: 36.1730 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 :: 7.6130 HA :: 3.9780 HB2 :: 2.0670 HB3 :: 2.2970 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 :: 117.9490 Ave N Shift Values>> N :: 120.67(3.48) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 64.7980 CB :: 37.9290 CG1 :: 28.9120 CG2 :: 16.3040 CD1 :: 14.5510 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 :: 8.3540 HA :: 3.5880 HB :: 1.6850 HG12 :: 1.0380 HG13 :: 1.7170 HG21 :: 0.5270 HG22 :: 0.5270 HG23 :: 0.5270 HD11 :: 0.7780 HD12 :: 0.7780 HD13 :: 0.7780 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.4930 Ave N Shift Values>> N :: 121.46(4.28) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 V 0.01 C Shift Assignments>> CA :: 58.5460 CB :: 40.4590 CG :: 28.2600 CD1 :: 23.3420 CD2 :: 24.4430 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 :: 8.3280 HA :: 3.4950 HB2 :: 1.3140 HB3 :: 1.5310 HG :: 1.1590 HD11 :: 0.0370 HD12 :: 0.0370 HD13 :: 0.0370 HD21 :: 0.2230 HD22 :: 0.2230 HD23 :: 0.2230 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 :: 120.5650 Ave N Shift Values>> N :: 121.86(3.9) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.29 E 0.21 I 0.1 R 0.06 C Shift Assignments>> CA :: 58.9390 CB :: 28.1910 CG :: 34.6400 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 :: 8.3290 HA :: 4.1840 HB2 :: 2.1030 HB3 :: 2.2260 HG2 :: 2.4690 HG3 :: 2.6010 HE21 :: 6.9110 HE22 :: 7.4860 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.6900 NE2 :: 111.3250 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G79 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>> CA :: 46.3700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1500 HA2 :: 3.9190 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 :: 108.4360 Ave N Shift Values>> N :: 109.67(3.87) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.43 K 0.36 E 0.08 M 0.06 R 0.04 C Shift Assignments>> CA :: 55.1640 CB :: 29.2140 CG :: 33.8930 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 :: 7.4450 HA :: 4.4100 HB2 :: 1.9920 HB3 :: 2.3740 HG2 :: 2.4630 HG3 :: 2.4630 HE21 :: 7.4160 HE22 :: 6.9180 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 :: 117.2350 NE2 :: 112.5800 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> CA :: 46.0030 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9590 HA2 :: 3.8210 HA3 :: 4.0600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.9220 Ave N Shift Values>> N :: 109.67(3.87) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.13 G 0.03 A 0.02 C Shift Assignments>> CA :: 54.6930 CB :: 42.7000 CG :: 27.2740 CD1 :: 25.5440 CD2 :: 23.6170 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 :: 7.6680 HA :: 4.3230 HB2 :: 1.2780 HB3 :: 1.5480 HG :: 1.5350 HD11 :: 0.9440 HD12 :: 0.9440 HD13 :: 0.9440 HD21 :: 0.8770 HD22 :: 0.8770 HD23 :: 0.8770 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 :: 120.3250 Ave N Shift Values>> N :: 121.86(3.9) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 D 0.13 F 0.04 Y 0.04 L 0.02 C Shift Assignments>> CA :: 51.6650 CB :: 38.4540 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 :: 8.2080 HA :: 4.6570 HB2 :: 2.7650 HB3 :: 2.9380 HD21 :: 6.9230 HD22 :: 7.5990 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 :: 119.6730 ND2 :: 112.4130 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 63.0680 CB :: 37.4710 CG1 :: 28.1910 CG2 :: 17.7590 CD1 :: 13.5910 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 :: 8.0590 HA :: 3.6230 HB :: 1.6620 HG12 :: 1.1100 HG13 :: 1.3510 HG21 :: 0.8010 HG22 :: 0.8010 HG23 :: 0.8010 HD11 :: 0.8060 HD12 :: 0.8060 HD13 :: 0.8060 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 :: 121.7900 Ave N Shift Values>> N :: 121.46(4.28) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.38 K 0.09 Q 0.03 HN Overlap>> 1.W22 1.W22 C Shift Assignments>> CA :: 59.2930 CB :: 28.7810 CG :: 36.5660 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 :: 8.2640 HA :: 3.7220 HB2 :: 1.9170 HB3 :: 1.8820 HG2 :: 2.1100 HG3 :: 2.1770 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 :: 120.1970 Ave N Shift Values>> N :: 120.67(3.48) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.23 C Shift Assignments>> CA :: 53.4740 CB :: 18.6240 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5910 HA :: 4.1170 HB1 :: 1.4050 HB2 :: 1.4050 HB3 :: 1.4050 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.5700 Ave N Shift Values>> N :: 123.23(3.54) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.13 G 0.03 A 0.01 C Shift Assignments>> CA :: 56.3440 CB :: 42.5040 CG :: 26.7820 CD1 :: 23.5910 CD2 :: 25.7050 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 :: 7.5350 HA :: 4.0930 HB2 :: 1.2760 HB3 :: 1.5860 HG :: 1.6120 HD11 :: 0.8310 HD12 :: 0.8310 HD13 :: 0.8310 HD21 :: 0.8310 HD22 :: 0.8310 HD23 :: 0.8310 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 :: 117.3610 Ave N Shift Values>> N :: 121.86(3.9) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.49 C Shift Assignments>> CA :: 57.7990 CB :: 39.2790 CD1 :: 131.9410 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 :: 7.7070 HA :: 4.5780 HB2 :: 2.8440 HB3 :: 3.1090 HD1 :: 7.1410 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.2520 Ave N Shift Values>> N :: 120.45(4.18) 1.R89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 G 0.1 K 0.08 HN Overlap>> 1.L106 1.L106 C Shift Assignments>> CA :: 57.0520 CB :: 30.5500 CG :: 27.0900 CD :: 43.3290 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 :: 8.0800 HA :: 4.1240 HB2 :: 1.8140 HB3 :: 1.8140 HG2 :: 1.6050 HG3 :: 1.6500 HD2 :: 3.1790 HD3 :: 3.1790 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.3480 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.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 K 0.14 Q 0.12 M 0.09 I 0.06 C Shift Assignments>> CA :: 57.2480 CB :: 29.8430 CG :: 36.0550 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 :: 8.4450 HA :: 4.3220 HB2 :: 1.9150 HB3 :: 2.0690 HG2 :: 2.2640 HG3 :: 2.2640 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 :: 120.9130 Ave N Shift Values>> N :: 120.67(3.48) 1.G91 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>> CA :: 45.4920 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3290 HA2 :: 3.9930 HA3 :: 3.9930 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.4680 Ave N Shift Values>> N :: 109.67(3.87) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.9680 CB :: 63.6180 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2800 HA :: 4.3580 HB2 :: 3.8160 HB3 :: 3.8160 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.9940 Ave N Shift Values>> N :: 116.28(3.52) 1.G93 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>> CA :: 45.8060 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4590 HA2 :: 3.9280 HA3 :: 3.9280 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.6730 Ave N Shift Values>> N :: 109.67(3.87) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.3230 CB :: 63.5520 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2000 HA :: 4.4450 HB2 :: 3.8970 HB3 :: 3.8510 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.5540 Ave N Shift Values>> N :: 116.28(3.52) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.22 G 0.01 C Shift Assignments>> CA :: 56.5010 CB :: 33.2630 CG :: 25.0460 CD :: 29.2920 CE :: 42.2680 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 :: 4.3080 HB2 :: 1.8340 HB3 :: 1.7620 HG2 :: 1.3930 HG3 :: 1.4920 HD2 :: 1.6590 HD3 :: 1.6590 HE2 :: 2.9710 HE3 :: 2.9710 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 :: 122.6000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.18 R 0.05 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.8230 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3790 HA2 :: 3.9630 HA3 :: 4.0300 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3520 Ave N Shift Values>> N :: 109.67(3.87) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 K 0.11 M 0.1 Q 0.1 I 0.07 C Shift Assignments>> CA :: 57.8770 CB :: 30.1180 CG :: 36.0550 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 :: 8.5110 HA :: 4.2300 HB2 :: 2.0250 HB3 :: 2.0250 HG2 :: 2.2920 HG3 :: 2.2920 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 :: 120.5460 Ave N Shift Values>> N :: 120.67(3.48) 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 62.8050 CB :: 69.2540 CG2 :: 21.8080 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 :: 8.0460 HA :: 4.2770 HB :: 4.2890 HG21 :: 1.2510 HG22 :: 1.2510 HG23 :: 1.2510 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.0060 Ave N Shift Values>> N :: 115.42(4.75) 1.Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.3 E 0.14 M 0.12 R 0.01 C Shift Assignments>> CA :: 55.3610 CB :: 29.6850 CG :: 34.1680 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 :: 8.1540 HA :: 4.4020 HB2 :: 2.0110 HB3 :: 2.1940 HG2 :: 2.3370 HG3 :: 2.3370 HE21 :: 6.9000 HE22 :: 7.5980 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 :: 120.7900 NE2 :: 112.7540 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 G 0.13 R 0.11 A 0.04 C Shift Assignments>> CA :: 54.6530 CB :: 43.4470 CG :: 26.6730 CD1 :: 23.3420 CD2 :: 25.8580 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 :: 7.7550 HA :: 4.5720 HB2 :: 1.5310 HB3 :: 1.6690 HG :: 1.7820 HD11 :: 0.7970 HD12 :: 0.7970 HD13 :: 0.7970 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 :: 122.3140 Ave N Shift Values>> N :: 121.86(3.9) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.3220 CB :: 68.4460 CG2 :: 22.2650 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 :: 8.9540 HA :: 4.6810 HB :: 4.8640 HG21 :: 1.4430 HG22 :: 1.4430 HG23 :: 1.4430 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 :: 115.3610 Ave N Shift Values>> N :: 115.42(4.75) 1.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 66.3440 CB :: 32.4900 CG :: 28.5390 CD :: 50.2430 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 :: 4.3110 HB2 :: 1.7680 HB3 :: 2.7480 HG2 :: 2.1880 HG3 :: 2.3490 HD2 :: 4.0110 HD3 :: 3.9650 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.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 E 0.01 C Shift Assignments>> CA :: 61.9740 CB :: 28.5400 CG :: 38.7140 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 :: 8.9990 HA :: 3.6510 HB2 :: 1.7230 HB3 :: 2.1840 HG2 :: 2.0980 HG3 :: 2.4320 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 :: 114.9820 Ave N Shift Values>> N :: 120.67(3.48) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.45 M 0.04 K 0.01 HN Overlap>> 1.E25 1.E25 C Shift Assignments>> CA :: 59.5350 CB :: 30.4630 CG :: 37.8490 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 :: 7.7760 HA :: 3.8510 HB2 :: 2.0020 HB3 :: 2.3880 HG2 :: 2.4010 HG3 :: 2.4010 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 :: 118.4200 Ave N Shift Values>> N :: 120.67(3.48) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> CA :: 60.4200 CB :: 32.3720 CG :: 27.0250 CD :: 30.2230 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 :: 8.6160 HA :: 3.8350 HB2 :: 1.9760 HB3 :: 2.2160 HG2 :: 1.3960 HG3 :: 1.3960 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 :: 119.7350 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 HN Overlap>> 1.R89 1.R89 C Shift Assignments>> CA :: 57.7460 CB :: 40.3930 CG :: 26.5530 CD1 :: 26.6210 CD2 :: 23.4630 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 :: 8.0840 HA :: 3.1160 HB2 :: 0.9720 HB3 :: 1.8910 HG :: 1.2180 HD11 :: 0.7210 HD12 :: 0.7210 HD13 :: 0.7210 HD21 :: 0.3310 HD22 :: 0.3310 HD23 :: 0.3310 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 :: 121.4350 Ave N Shift Values>> N :: 121.86(3.9) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.07 G 0.01 HN Overlap>> 1.K29 1.K29 C Shift Assignments>> CA :: 58.4280 CB :: 41.9140 CG :: 27.1820 CD1 :: 25.2950 CD2 :: 23.7480 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 :: 8.1850 HA :: 3.8260 HB2 :: 1.4020 HB3 :: 1.9240 HG :: 1.4060 HD11 :: 0.9120 HD12 :: 0.9120 HD13 :: 0.9120 HD21 :: 0.8660 HD22 :: 0.8660 HD23 :: 0.8660 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 :: 118.7540 Ave N Shift Values>> N :: 121.86(3.9) 1.R108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 G 0.15 K 0.05 HN Overlap>> 1.R36 1.R36 C Shift Assignments>> CA :: 59.1750 CB :: 29.7640 CG :: 27.6410 CD :: 43.4470 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 :: 8.2030 HA :: 3.8410 HB2 :: 1.7980 HD2 :: 3.0340 HD3 :: 3.0340 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 :: 116.7340 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.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.28 I 0.01 L 0.01 C Shift Assignments>> CA :: 54.4430 CB :: 19.0950 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6700 HA :: 4.1790 HB1 :: 1.4890 HB2 :: 1.4890 HB3 :: 1.4890 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.5580 Ave N Shift Values>> N :: 123.23(3.54) 1.I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 65.5580 CB :: 38.3880 CG1 :: 28.8070 CG2 :: 16.6580 CD1 :: 15.6300 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 :: 8.3130 HA :: 3.3370 HB :: 1.7060 HG12 :: 0.6630 HG13 :: 1.8280 HG21 :: 0.1790 HG22 :: 0.1790 HG23 :: 0.1790 HD11 :: 0.6330 HD12 :: 0.6330 HD13 :: 0.6330 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 :: 119.2350 Ave N Shift Values>> N :: 121.46(4.28) 1.F111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 Y 0.48 C Shift Assignments>> CA :: 59.6210 CB :: 39.2140 CD1 :: 131.8030 CE1 :: 131.0550 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 :: 7.6220 HA :: 4.3600 HB2 :: 2.7770 HB3 :: 3.2990 HD1 :: 7.2740 HE1 :: 7.1210 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 :: 114.9020 Ave N Shift Values>> N :: 120.45(4.18) 1.G112 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>> CA :: 45.5700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7970 HA2 :: 3.9370 HA3 :: 3.9760 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.9750 Ave N Shift Values>> N :: 109.67(3.87) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.14 K 0.09 Q 0.08 I 0.03 HN Overlap>> 1.R53 1.R53 C Shift Assignments>> CA :: 56.0290 CB :: 30.1570 CG :: 36.3300 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.9000 HA :: 4.2870 HB2 :: 1.8990 HB3 :: 2.0220 HG2 :: 2.2420 HG3 :: 2.2420 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 :: 120.8700 Ave N Shift Values>> N :: 120.67(3.48) 1.K114 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>> CA :: 56.0690 CB :: 33.0280 CG :: 24.4560 CD :: 28.8990 CE :: 42.0320 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 :: 8.2950 HA :: 4.2510 HB2 :: 1.7140 HB3 :: 1.8170 HG2 :: 1.4120 HG3 :: 1.4120 HD2 :: 1.6360 HD3 :: 1.6360 HE2 :: 2.9580 HE3 :: 2.9580 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 :: 123.2850 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.09 L 0.04 C Shift Assignments>> CA :: 53.7230 CB :: 20.0700 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 :: 4.0940 HB1 :: 1.3090 HB2 :: 1.3090 HB3 :: 1.3090 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.2140 Ave N Shift Values>> N :: 123.23(3.54) ########################################################################### Overall Results: #Consistent: 114 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 115 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 115 #Suspicious: 0 C Shift Results: #Consistent: 380 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 788 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 123 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R36 HG2 = 0.6230(S), Expected = 1.57, Std = 0.2700, ChiSquare = 4.5250e-04