Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.73 A 0.24 I 0.02 C Shift Assignments>> CA :: 55.4520 CB :: 34.6770 CG :: 31.2040 CE :: 16.9000 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 3.9390 HB2 :: 1.9940 HB3 :: 1.9940 HG2 :: 2.5830 HG3 :: 2.5010 HE1 :: 2.0280 HE2 :: 2.0280 HE3 :: 2.0280 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.9540 CA :: 57.2280 CB :: 64.3750 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 R 0.25 L 0.13 I 0.11 C Shift Assignments>> C :: 179.0530 CA :: 58.1110 CB :: 41.8360 CG :: 28.7600 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.6250 HA :: 3.9960 HB2 :: 1.6230 HB3 :: 1.3730 HG :: 1.6740 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.7520 Ave N Shift Values>> N :: 121.98(4.07) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.6270 CA :: 65.1150 CB :: 37.2120 CG1 :: 29.9320 CG2 :: 17.3930 CD1 :: 13.1740 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.3940 HA :: 3.6320 HB :: 1.7390 HG12 :: 1.1680 HG13 :: 1.6250 HG21 :: 0.8030 HG22 :: 0.8030 HG23 :: 0.8030 HD11 :: 0.7430 HD12 :: 0.7430 HD13 :: 0.7430 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.5010 Ave N Shift Values>> N :: 121.6(4.72) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.4 K 0.05 M 0.03 HN Overlap>> 1.E49 1.E49 C Shift Assignments>> C :: 179.3490 CA :: 59.3110 CB :: 29.6500 CG :: 37.0800 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.6730 HA :: 3.9140 HB2 :: 2.1010 HB3 :: 1.9670 HG2 :: 2.2360 HG3 :: 2.2360 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.7850 Ave N Shift Values>> N :: 120.68(3.68) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 K 0.19 L 0.19 F 0.13 Y 0.09 D 0.04 G 0.02 I 0.02 C Shift Assignments>> C :: 178.6840 CA :: 57.9310 CB :: 42.6880 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.9780 HA :: 4.0140 HB2 :: 1.7180 HB3 :: 1.5800 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.6140 Ave N Shift Values>> N :: 121.98(4.07) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.15 A 0.03 G 0.01 C Shift Assignments>> C :: 179.5460 CA :: 56.7860 CB :: 41.6750 CG :: 26.8860 CD1 :: 22.4500 CD2 :: 25.8500 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.2110 HA :: 3.8910 HB2 :: 1.4720 HB3 :: 0.8680 HG :: 1.5690 HD11 :: 0.5700 HD12 :: 0.5700 HD13 :: 0.5700 HD21 :: 0.6030 HD22 :: 0.6030 HD23 :: 0.6030 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.3110 Ave N Shift Values>> N :: 121.98(4.07) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.32 I 0.24 E 0.03 L 0.02 D 0.02 C Shift Assignments>> C :: 177.5910 CA :: 59.0980 CB :: 39.0980 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.3720 HA :: 4.5630 HB2 :: 3.0600 HB3 :: 3.2230 HD1 :: 7.2490 HD2 :: 7.2490 HE1 :: 7.1690 HE2 :: 7.1690 HZ :: 7.2830 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.7150 Ave N Shift Values>> N :: 120.69(4.18) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 174.6150 CA :: 46.2090 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.9760 HA2 :: 4.0020 HA3 :: 3.9650 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.2410 Ave N Shift Values>> N :: 109.91(4.29) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 H 0.2 E 0.18 Q 0.16 M 0.11 K 0.09 I 0.01 V 0.01 C Shift Assignments>> C :: 176.0230 CA :: 56.5010 CB :: 30.4900 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.8480 HA :: 4.2850 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.2620 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 M 0.23 Q 0.18 R 0.11 H 0.09 E 0.07 V 0.04 C Shift Assignments>> CA :: 56.7440 CB :: 32.9030 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.9510 HA :: 4.2110 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.3410 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 Q 0.19 E 0.16 K 0.16 R 0.16 M 0.06 I 0.02 L 0.01 C Shift Assignments>> C :: 176.6870 CA :: 56.1770 CB :: 29.6060 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.3370 HA :: 4.2700 HE21 :: 7.4960 HE22 :: 6.8570 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.8640 NE2 :: 112.6590 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.26 T 0.21 V 0.2 P 0.07 F 0.06 Y 0.05 S 0.04 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 174.0540 CA :: 61.4300 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.21 C Shift Assignments>> C :: 177.5890 CA :: 52.5800 CB :: 19.1660 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.2790 HA :: 4.3810 HB1 :: 1.4080 HB2 :: 1.4080 HB3 :: 1.4080 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.7760 Ave N Shift Values>> N :: 123.23(3.7) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.3190 CA :: 61.7970 CB :: 69.9650 CG2 :: 21.5650 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.0740 HA :: 4.3300 HB :: 4.1600 HG21 :: 1.1780 HG22 :: 1.1780 HG23 :: 1.1780 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.7490 Ave N Shift Values>> N :: 115.7(5.05) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.4460 CA :: 61.9840 CB :: 32.8960 CG1 :: 21.2270 CG2 :: 20.4530 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.0800 HA :: 4.1040 HB :: 2.0390 HG11 :: 0.9150 HG12 :: 0.9150 HG13 :: 0.9150 HG21 :: 0.9270 HG22 :: 0.9270 HG23 :: 0.9270 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.3890 Ave N Shift Values>> N :: 121.02(4.96) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.2 L 0.01 C Shift Assignments>> C :: 176.8740 CA :: 52.5390 CB :: 19.4450 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.4540 HA :: 4.3520 HB1 :: 1.3940 HB2 :: 1.3940 HB3 :: 1.3940 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.9600 Ave N Shift Values>> N :: 123.23(3.7) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 K 0.33 G 0.06 C Shift Assignments>> C :: 174.6690 CA :: 54.6180 CB :: 32.5030 CG :: 26.7680 CD :: 42.8230 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.0030 HA :: 4.4520 HB2 :: 1.6480 HB3 :: 1.9190 HG2 :: 1.6160 HG3 :: 1.6160 HD2 :: 3.2270 HD3 :: 3.2270 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.2540 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.25 K 0.18 F 0.08 R 0.08 Y 0.06 N 0.06 HN Overlap>> 1.L43 1.E89 1.L43 1.E89 C Shift Assignments>> C :: 175.7320 CA :: 54.5530 CB :: 41.6870 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.3620 HA :: 5.1060 HB2 :: 2.7300 HB3 :: 2.8230 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.6960 Ave N Shift Values>> N :: 120.73(4.2) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.3 E 0.14 R 0.1 I 0.02 M 0.01 C Shift Assignments>> C :: 174.0320 CA :: 55.4190 CB :: 34.5040 CG :: 27.1190 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.7700 HA :: 5.2300 HB2 :: 1.8380 HB3 :: 1.8940 HG2 :: 1.5100 HG3 :: 1.6700 HD2 :: 3.1450 HD3 :: 3.1450 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.8070 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.41 A 0.02 C Shift Assignments>> C :: 174.9810 CA :: 53.4950 CB :: 47.4150 CG :: 27.3540 CD1 :: 24.7770 CD2 :: 25.4790 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.8020 HA :: 5.4960 HB2 :: 1.5600 HB3 :: 1.3990 HG :: 1.6010 HD11 :: 0.8550 HD12 :: 0.8550 HD13 :: 0.8550 HD21 :: 0.7200 HD22 :: 0.7200 HD23 :: 0.7200 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.4040 Ave N Shift Values>> N :: 121.98(4.07) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 Q 0.18 E 0.07 K 0.01 C Shift Assignments>> C :: 173.8470 CA :: 54.7970 CB :: 32.8390 CG :: 33.4730 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.4540 HA :: 5.2880 HB2 :: 1.8320 HB3 :: 2.1060 HG2 :: 2.0020 HG3 :: 2.3010 HE21 :: 7.6850 HE22 :: 6.2700 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 126.0890 NE2 :: 109.1350 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 C Shift Assignments>> C :: 174.0630 CA :: 59.7600 CB :: 41.2300 CG1 :: 29.9570 CG2 :: 17.0420 CD1 :: 14.8150 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.1680 HA :: 5.2520 HB :: 1.7690 HG12 :: 1.1370 HG13 :: 1.6200 HG21 :: 0.8130 HG22 :: 0.8130 HG23 :: 0.8130 HD11 :: 0.8410 HD12 :: 0.8410 HD13 :: 0.8410 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.9090 Ave N Shift Values>> N :: 121.6(4.72) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 G 0.01 A 0.01 C Shift Assignments>> C :: 174.5690 CA :: 59.6050 CB :: 41.6630 CG1 :: 28.2910 CG2 :: 18.2130 CD1 :: 14.2290 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.6190 HA :: 5.0640 HB :: 1.6820 HG12 :: 0.9590 HG13 :: 1.4940 HG21 :: 0.7700 HG22 :: 0.7700 HG23 :: 0.7700 HD11 :: 0.7330 HD12 :: 0.7330 HD13 :: 0.7330 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.0540 Ave N Shift Values>> N :: 121.6(4.72) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.2120 CA :: 60.3890 CB :: 40.3840 CG1 :: 27.2360 CG2 :: 18.5650 CD1 :: 14.2290 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.4200 HA :: 4.8780 HB :: 1.8140 HG12 :: 1.5840 HG13 :: 0.9610 HG21 :: 0.7940 HG22 :: 0.7940 HG23 :: 0.7940 HD11 :: 0.7280 HD12 :: 0.7280 HD13 :: 0.7280 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.7080 Ave N Shift Values>> N :: 121.6(4.72) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 A 0.36 M 0.09 K 0.04 P 0.03 G 0.02 C Shift Assignments>> C :: 175.2940 CA :: 49.8590 CB :: 23.0120 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.4950 HA :: 5.6200 HB1 :: 1.3140 HB2 :: 1.3140 HB3 :: 1.3140 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.0160 Ave N Shift Values>> N :: 123.23(3.7) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 K 0.27 E 0.12 H 0.06 R 0.04 N 0.02 Y 0.02 V 0.01 Q 0.01 C Shift Assignments>> C :: 173.6610 CA :: 54.5750 CB :: 34.2080 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.3620 HA :: 5.2900 HB2 :: 2.2130 HB3 :: 1.9160 HE21 :: 7.7470 HE22 :: 7.3410 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.6580 NE2 :: 107.7650 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 K 0.23 Q 0.18 H 0.1 R 0.1 E 0.05 V 0.01 C Shift Assignments>> C :: 174.8330 CA :: 54.9490 CB :: 32.8840 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.9390 HA :: 5.0900 HB2 :: 2.1420 HB3 :: 1.7840 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 129.0680 Ave N Shift Values>> N :: 120.68(3.68) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 K 0.3 R 0.18 E 0.05 M 0.02 C Shift Assignments>> C :: 175.7810 CA :: 54.1700 CB :: 33.7370 CG :: 27.1190 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.4290 HA :: 4.9350 HB2 :: 1.6990 HB3 :: 1.7550 HG2 :: 1.5480 HG3 :: 1.6130 HD2 :: 3.1390 HD3 :: 3.1390 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.9360 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.2 C Shift Assignments>> C :: 178.8130 CA :: 52.5100 CB :: 19.1630 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.8160 HA :: 4.2380 HB1 :: 1.4210 HB2 :: 1.4210 HB3 :: 1.4210 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.7380 Ave N Shift Values>> N :: 123.23(3.7) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.29 E 0.2 M 0.09 R 0.05 I 0.01 C Shift Assignments>> C :: 176.5270 CA :: 57.2180 CB :: 29.4290 CG :: 34.0340 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.7860 HA :: 4.2110 HB2 :: 2.0960 HB3 :: 2.0460 HG2 :: 2.3820 HG3 :: 2.3820 HE21 :: 7.6080 HE22 :: 6.8990 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.1120 NE2 :: 112.2670 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 K 0.17 I 0.14 Q 0.06 M 0.05 C Shift Assignments>> C :: 176.8780 CA :: 57.1150 CB :: 29.1740 CG :: 36.3770 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.7710 HA :: 4.2450 HB2 :: 2.1060 HB3 :: 1.9960 HG2 :: 2.2440 HG3 :: 2.2440 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.0630 Ave N Shift Values>> N :: 120.68(3.68) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.03 C Shift Assignments>> C :: 174.3300 CA :: 45.4460 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.9690 HA2 :: 4.1160 HA3 :: 4.0760 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.9960 Ave N Shift Values>> N :: 109.91(4.29) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.29 E 0.16 M 0.14 R 0.04 C Shift Assignments>> C :: 175.8820 CA :: 55.6260 CB :: 29.6520 CG :: 33.9160 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.3350 HA :: 4.4370 HB2 :: 1.9330 HB3 :: 2.2590 HG2 :: 2.3060 HG3 :: 2.3060 HE21 :: 7.5120 HE22 :: 6.8190 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.9250 NE2 :: 112.4630 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.4300 CB :: 69.9610 CG2 :: 21.5270 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.0320 HA :: 4.3540 HB :: 4.2470 HG21 :: 1.1840 HG22 :: 1.1840 HG23 :: 1.1840 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.9110 Ave N Shift Values>> N :: 115.7(5.05) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 173.1840 CA :: 62.6020 CB :: 32.0430 CG :: 27.0030 CD :: 51.2600 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.1780 HB2 :: 1.0840 HB3 :: 1.9620 HG2 :: 1.7000 HG3 :: 1.8090 HD2 :: 3.8910 HD3 :: 3.6550 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.25 L 0.16 F 0.06 K 0.06 Y 0.05 R 0.01 HN Overlap>> 1.N61 1.N61 C Shift Assignments>> C :: 177.6060 CA :: 52.7390 CB :: 40.7920 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.9020 HA :: 4.4270 HB2 :: 2.4350 HB3 :: 2.6920 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.4950 Ave N Shift Values>> N :: 120.73(4.2) 1.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 F 0.31 Y 0.3 E 0.01 L 0.01 D 0.01 HN Overlap>> 1.L77 1.L77 C Shift Assignments>> C :: 176.7050 CA :: 59.9520 CB :: 39.3240 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.6850 HA :: 4.4300 HB2 :: 2.7040 HB3 :: 2.9920 HD1 :: 7.0310 HD2 :: 7.0310 HE1 :: 6.8000 HE2 :: 6.8000 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.2970 Ave N Shift Values>> N :: 120.79(4.69) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 V 0.22 M 0.01 C Shift Assignments>> CA :: 60.9250 CB :: 38.4160 CG :: 28.8770 CD1 :: 25.4790 CD2 :: 24.6590 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.5820 HA :: 3.9760 HB2 :: 2.1570 HB3 :: 1.5300 HG :: 1.7260 HD11 :: 0.8900 HD12 :: 0.8900 HD13 :: 0.8900 HD21 :: 0.7870 HD22 :: 0.7870 HD23 :: 0.7870 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.3770 Ave N Shift Values>> N :: 121.98(4.07) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.9150 CA :: 66.5310 CB :: 31.1310 CG :: 28.6430 CD :: 50.2060 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.1480 HB2 :: 1.8350 HB3 :: 2.3050 HG2 :: 2.0300 HG3 :: 1.8600 HD2 :: 3.7110 HD3 :: 3.3470 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.4300 CA :: 66.1320 CB :: 68.8070 CG2 :: 21.3780 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.3760 HA :: 3.7850 HB :: 4.0940 HG21 :: 0.9090 HG22 :: 0.9090 HG23 :: 0.9090 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.2550 Ave N Shift Values>> N :: 115.7(5.05) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 R 0.19 A 0.01 HN Overlap>> 1.D20 1.D20 C Shift Assignments>> C :: 177.8760 CA :: 57.7820 CB :: 41.4330 CG :: 27.0030 CD1 :: 22.6440 CD2 :: 26.3000 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.3670 HA :: 3.8700 HB2 :: 1.1700 HB3 :: 1.9260 HG :: 1.8260 HD11 :: 0.6490 HD12 :: 0.6490 HD13 :: 0.6490 HD21 :: 0.7440 HD22 :: 0.7440 HD23 :: 0.7440 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.6390 Ave N Shift Values>> N :: 121.98(4.07) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.25 K 0.04 C Shift Assignments>> C :: 177.0760 CA :: 60.4680 CB :: 30.1260 CG :: 27.0270 CD :: 43.6560 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.0290 HA :: 3.5780 HB2 :: 1.9360 HB3 :: 1.7450 HG2 :: 1.5640 HG3 :: 1.3610 HD2 :: 3.1490 HD3 :: 3.1140 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.9350 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.24 M 0.03 G 0.01 C Shift Assignments>> C :: 179.1470 CA :: 59.6210 CB :: 32.5300 CG :: 24.8930 CD :: 29.4770 CE :: 41.9800 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.3810 HA :: 3.9360 HB2 :: 1.8680 HB3 :: 1.8680 HG2 :: 1.3640 HG3 :: 1.5060 HD2 :: 1.6670 HD3 :: 1.6670 HE2 :: 2.9530 HE3 :: 2.9530 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.4650 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.45 I 0.01 L 0.01 V 0.01 C Shift Assignments>> C :: 180.6890 CA :: 54.6320 CB :: 19.1180 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.8930 HA :: 4.1930 HB1 :: 1.3650 HB2 :: 1.3650 HB3 :: 1.3650 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.3460 Ave N Shift Values>> N :: 123.23(3.7) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.07 C Shift Assignments>> C :: 178.7000 CA :: 57.1780 CB :: 41.1010 CG :: 27.4710 CD1 :: 23.9560 CD2 :: 24.8930 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.7290 HA :: 3.9950 HB2 :: 1.9030 HB3 :: 1.4030 HG :: 1.7380 HD11 :: 0.8200 HD12 :: 0.8200 HD13 :: 0.8200 HD21 :: 0.8200 HD22 :: 0.8200 HD23 :: 0.8200 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.0450 Ave N Shift Values>> N :: 121.98(4.07) 1.M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.93 A 0.03 I 0.02 C Shift Assignments>> C :: 179.2200 CA :: 58.1670 CB :: 30.5600 CG :: 32.5380 CE :: 16.8850 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.1500 HA :: 4.2200 HB2 :: 2.0750 HB3 :: 2.2560 HG2 :: 2.7100 HG3 :: 2.7990 HE1 :: 2.0070 HE2 :: 2.0070 HE3 :: 2.0070 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.8830 Ave N Shift Values>> N :: 120.1(3.88) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.32 K 0.1 Q 0.03 M 0.03 HN Overlap>> 1.E5 1.E5 C Shift Assignments>> C :: 179.0730 CA :: 59.4740 CB :: 29.3480 CG :: 36.3530 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.5920 HA :: 4.1010 HB2 :: 2.2380 HB3 :: 2.1290 HG2 :: 2.2370 HG3 :: 2.4350 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.7130 Ave N Shift Values>> N :: 120.68(3.68) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.1610 CA :: 66.1020 CB :: 32.1180 CG1 :: 21.9390 CG2 :: 23.1510 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.9130 HA :: 3.8610 HB :: 2.3330 HG11 :: 0.9520 HG12 :: 0.9520 HG13 :: 0.9520 HG21 :: 1.1450 HG22 :: 1.1450 HG23 :: 1.1450 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.4590 Ave N Shift Values>> N :: 121.02(4.96) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.19 A 0.01 K 0.01 C Shift Assignments>> C :: 178.8530 CA :: 58.1050 CB :: 41.3540 CG :: 27.0030 CD1 :: 22.6440 CD2 :: 26.3000 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.6780 HA :: 3.8910 HB2 :: 1.9440 HB3 :: 1.1660 HG :: 1.8260 HD11 :: 0.6490 HD12 :: 0.6490 HD13 :: 0.6490 HD21 :: 0.7440 HD22 :: 0.7440 HD23 :: 0.7440 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.6630 Ave N Shift Values>> N :: 121.98(4.07) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.0130 CA :: 61.4450 CB :: 63.0970 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.9360 HA :: 4.3760 HB2 :: 4.0040 HB3 :: 3.9690 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.2700 Ave N Shift Values>> N :: 116.3(3.95) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.23 M 0.03 G 0.01 C Shift Assignments>> C :: 178.0040 CA :: 58.5990 CB :: 33.1930 CG :: 24.7760 CD :: 29.1110 CE :: 41.9800 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.7140 HA :: 4.0140 HB2 :: 1.6070 HB3 :: 1.3730 HG2 :: 0.7030 HG3 :: 1.1480 HD2 :: 1.4800 HD3 :: 1.4180 HE2 :: 2.8020 HE3 :: 2.8020 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.7390 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.31 I 0.26 L 0.02 K 0.01 D 0.01 E 0.01 C Shift Assignments>> C :: 175.9100 CA :: 59.6570 CB :: 39.7260 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.0670 HA :: 4.7020 HB2 :: 2.6900 HB3 :: 3.1790 HD1 :: 7.2830 HD2 :: 7.2830 HE1 :: 6.8150 HE2 :: 6.8150 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 113.4040 Ave N Shift Values>> N :: 120.79(4.69) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.N56 1.N56 C Shift Assignments>> C :: 174.7020 CA :: 61.5130 CB :: 32.2700 CG1 :: 21.4880 CG2 :: 21.6980 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.8630 HA :: 4.1150 HB :: 2.1460 HG11 :: 0.5270 HG12 :: 0.5270 HG13 :: 0.5270 HG21 :: 0.5020 HG22 :: 0.5020 HG23 :: 0.5020 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.7490 Ave N Shift Values>> N :: 121.02(4.96) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 E 0.13 Y 0.13 F 0.07 D 0.07 M 0.06 K 0.01 I 0.01 L 0.01 HN Overlap>> 1.V55 1.V55 C Shift Assignments>> C :: 174.2710 CA :: 53.8910 CB :: 37.1780 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.7940 HA :: 4.5970 HB2 :: 2.6620 HB3 :: 3.0710 HD21 :: 7.5010 HD22 :: 6.7570 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.7780 ND2 :: 111.4010 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.7670 CA :: 60.0440 CB :: 34.0670 CG1 :: 20.3230 CG2 :: 21.6120 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.3760 HA :: 4.4300 HB :: 1.9670 HG11 :: 0.7800 HG12 :: 0.7800 HG13 :: 0.7800 HG21 :: 0.8190 HG22 :: 0.8190 HG23 :: 0.8190 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.9520 Ave N Shift Values>> N :: 121.02(4.96) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5400 CA :: 57.2960 CB :: 64.3860 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.5390 HA :: 4.5240 HB2 :: 4.0750 HB3 :: 3.8720 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.2570 Ave N Shift Values>> N :: 116.3(3.95) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.07 HN Overlap>> 1.Q84 1.Q84 C Shift Assignments>> C :: 178.4460 CA :: 57.7550 CB :: 41.3740 CG :: 27.1650 CD1 :: 24.9600 CD2 :: 23.6450 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.6060 HA :: 4.0030 HB2 :: 1.7520 HB3 :: 1.6140 HG :: 1.7780 HD11 :: 0.9530 HD12 :: 0.9530 HD13 :: 0.9530 HD21 :: 0.8780 HD22 :: 0.8780 HD23 :: 0.8780 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.3170 Ave N Shift Values>> N :: 121.98(4.07) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 F 0.2 Y 0.2 L 0.14 N 0.1 K 0.05 I 0.02 C Shift Assignments>> C :: 176.6580 CA :: 55.7890 CB :: 40.0600 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.2690 HA :: 4.4300 HB2 :: 2.5340 HB3 :: 2.6930 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.7590 Ave N Shift Values>> N :: 120.73(4.2) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.33 L 0.1 Y 0.09 F 0.09 K 0.01 HN Overlap>> 1.D38 1.D38 C Shift Assignments>> C :: 173.6380 CA :: 53.4400 CB :: 39.8130 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.9760 HA :: 4.8860 HB2 :: 3.4040 HB3 :: 2.7170 HD21 :: 7.4200 HD22 :: 7.0080 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.5610 ND2 :: 112.5460 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.4320 CA :: 61.4390 CB :: 39.7120 CG1 :: 27.2360 CG2 :: 17.2760 CD1 :: 14.5800 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.4750 HA :: 4.4920 HB :: 1.8910 HG12 :: 1.7280 HG13 :: 1.7280 HG21 :: 0.7530 HG22 :: 0.7530 HG23 :: 0.7530 HD11 :: 0.7800 HD12 :: 0.7800 HD13 :: 0.7800 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.5700 Ave N Shift Values>> N :: 121.6(4.72) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 K 0.28 G 0.09 C Shift Assignments>> C :: 175.7550 CA :: 55.0730 CB :: 31.9550 CG :: 27.2870 CD :: 43.1740 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.6790 HA :: 4.7500 HB2 :: 1.8060 HB3 :: 1.9050 HG2 :: 1.7040 HG3 :: 1.6120 HD2 :: 3.2310 HD3 :: 3.2310 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 127.7210 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.7440 CA :: 60.6030 CB :: 40.4480 CG1 :: 28.3020 CG2 :: 17.3930 CD1 :: 13.8770 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.8750 HA :: 5.1750 HB :: 1.7120 HG12 :: 1.5930 HG13 :: 0.9090 HG21 :: 0.8300 HG22 :: 0.8300 HG23 :: 0.8300 HD11 :: 0.8450 HD12 :: 0.8450 HD13 :: 0.8450 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.9920 Ave N Shift Values>> N :: 121.6(4.72) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 171.9500 CA :: 57.3250 CB :: 65.5650 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.1720 HA :: 4.8900 HB2 :: 3.8870 HB3 :: 3.8260 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.0850 Ave N Shift Values>> N :: 116.3(3.95) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 Q 0.21 E 0.13 K 0.02 C Shift Assignments>> C :: 174.7130 CA :: 54.8000 CB :: 32.4760 CG :: 34.0330 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.6010 HA :: 5.5080 HB2 :: 2.0380 HB3 :: 1.9680 HG2 :: 2.3000 HG3 :: 2.3000 HE21 :: 7.9120 HE22 :: 6.6870 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.5200 NE2 :: 111.4840 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 E 0.36 I 0.01 C Shift Assignments>> C :: 174.4610 CA :: 55.4220 CB :: 35.3340 CG :: 36.6640 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.8940 HA :: 4.7480 HB2 :: 2.1280 HB3 :: 1.7290 HG2 :: 2.2150 HG3 :: 2.2940 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.7360 Ave N Shift Values>> N :: 120.68(3.68) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.25 M 0.06 G 0.01 C Shift Assignments>> C :: 175.5530 CA :: 55.7710 CB :: 35.8790 CG :: 24.3070 CD :: 29.6050 CE :: 41.7220 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.6240 HA :: 5.2450 HB2 :: 1.7460 HB3 :: 1.8360 HG2 :: 1.4330 HG3 :: 1.2750 HD2 :: 1.6640 HD3 :: 1.6630 HE2 :: 2.9640 HE3 :: 2.9940 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.1330 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 Q 0.27 E 0.13 K 0.06 HN Overlap>> 1.D73 1.D73 C Shift Assignments>> C :: 174.4430 CA :: 55.5190 CB :: 31.9240 CG :: 33.6820 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.7770 HA :: 4.4370 HB2 :: 1.9690 HB3 :: 1.9690 HG2 :: 2.1970 HG3 :: 2.1970 HE21 :: 7.5080 HE22 :: 6.7400 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.4660 NE2 :: 111.6800 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 D 0.18 L 0.12 N 0.07 K 0.05 I 0.04 C Shift Assignments>> C :: 175.8540 CA :: 56.4600 CB :: 39.9670 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.1750 HA :: 4.2440 HB2 :: 2.7340 HB3 :: 2.8410 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.4080 Ave N Shift Values>> N :: 120.73(4.2) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 173.4270 CA :: 46.0130 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.6240 HA2 :: 4.0430 HA3 :: 4.1340 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.0430 Ave N Shift Values>> N :: 109.91(4.29) 1.M72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.39 I 0.01 C Shift Assignments>> C :: 173.5260 CA :: 54.6340 CB :: 35.5350 CG :: 32.3150 CE :: 17.2110 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.2770 HA :: 5.2120 HB2 :: 2.0450 HB3 :: 1.8440 HG2 :: 2.2290 HG3 :: 1.9840 HE1 :: 1.7570 HE2 :: 1.7570 HE3 :: 1.7570 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.2790 Ave N Shift Values>> N :: 120.1(3.88) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.13 R 0.02 D 0.01 HN Overlap>> 1.Q69 1.Q69 C Shift Assignments>> C :: 174.6930 CA :: 53.5350 CB :: 45.6090 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.7430 HA :: 5.3320 HB2 :: 2.5200 HB3 :: 2.7500 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.5170 Ave N Shift Values>> N :: 120.73(4.2) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.5970 CA :: 60.7590 CB :: 35.6060 CG1 :: 22.5600 CG2 :: 22.5600 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.8940 HA :: 5.1660 HB :: 1.8640 HG11 :: 0.8140 HG12 :: 0.8140 HG13 :: 0.8140 HG21 :: 0.8140 HG22 :: 0.8140 HG23 :: 0.8140 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.5330 Ave N Shift Values>> N :: 121.02(4.96) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.34 A 0.01 C Shift Assignments>> C :: 173.3810 CA :: 53.4520 CB :: 46.3850 CG :: 27.3540 CD1 :: 26.1820 CD2 :: 24.5420 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.3830 HA :: 5.1100 HB2 :: 1.4820 HB3 :: 1.7610 HG :: 1.4910 HD11 :: 0.7820 HD12 :: 0.7820 HD13 :: 0.7820 HD21 :: 0.8970 HD22 :: 0.8970 HD23 :: 0.8970 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.8220 Ave N Shift Values>> N :: 121.98(4.07) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 Q 0.23 K 0.22 H 0.08 R 0.07 E 0.03 V 0.01 C Shift Assignments>> C :: 174.4350 CA :: 54.4010 CB :: 33.2950 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.2980 HA :: 5.3360 HB2 :: 1.6730 HB3 :: 2.0840 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.4620 Ave N Shift Values>> N :: 120.68(3.68) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.31 G 0.27 K 0.01 HN Overlap>> 1.Y39 1.Y39 C Shift Assignments>> C :: 175.1340 CA :: 53.9730 CB :: 43.8900 CG :: 28.5740 CD1 :: 25.4890 CD2 :: 26.6050 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.6580 HA :: 5.2170 HB2 :: 1.7230 HB3 :: 1.2800 HG :: 1.6320 HD11 :: 0.7810 HD12 :: 0.7810 HD13 :: 0.7810 HD21 :: 0.7770 HD22 :: 0.7770 HD23 :: 0.7770 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.2100 Ave N Shift Values>> N :: 121.98(4.07) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.26 K 0.14 R 0.09 N 0.08 F 0.05 Y 0.04 C Shift Assignments>> C :: 174.2910 CA :: 53.3760 CB :: 41.9650 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.0790 HA :: 5.2710 HB2 :: 2.7300 HB3 :: 2.5860 HD21 :: 7.2500 HD22 :: 7.6720 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.1760 ND2 :: 114.2190 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 V 0.01 C Shift Assignments>> C :: 175.0570 CA :: 60.6110 CB :: 41.1630 CG1 :: 28.9910 CG2 :: 19.2260 CD1 :: 16.0150 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.1300 HA :: 4.7910 HB :: 1.9520 HG12 :: 1.0380 HG13 :: 1.4300 HG21 :: 0.7630 HG22 :: 0.7630 HG23 :: 0.7630 HD11 :: 0.7670 HD12 :: 0.7670 HD13 :: 0.7670 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.6660 Ave N Shift Values>> N :: 121.6(4.72) 1.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.7220 CA :: 62.6090 CB :: 69.3120 CG2 :: 22.0000 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.6890 HA :: 4.4260 HB :: 4.1160 HG21 :: 1.2470 HG22 :: 1.2470 HG23 :: 1.2470 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 124.9440 Ave N Shift Values>> N :: 115.7(5.05) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 A 0.16 R 0.02 C Shift Assignments>> CA :: 53.0490 CB :: 40.3350 CG :: 27.7050 CD1 :: 22.9960 CD2 :: 25.7130 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.0890 HA :: 4.4910 HB2 :: 1.6480 HB3 :: 1.6700 HG :: 1.6020 HD11 :: 0.7090 HD12 :: 0.7090 HD13 :: 0.7090 HD21 :: 0.9880 HD22 :: 0.9880 HD23 :: 0.9880 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.7900 Ave N Shift Values>> N :: 121.98(4.07) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.5400 CA :: 62.9240 CB :: 32.3480 CG :: 27.5340 CD :: 50.5670 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.4490 HB2 :: 2.3330 HB3 :: 1.9320 HG2 :: 2.0890 HG3 :: 2.0890 HD2 :: 3.6970 HD3 :: 3.6480 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.18 K 0.08 I 0.07 Q 0.04 C Shift Assignments>> C :: 176.6400 CA :: 56.6790 CB :: 30.5650 CG :: 36.4950 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.6200 HA :: 4.2740 HB2 :: 2.0180 HB3 :: 1.9670 HG2 :: 2.3180 HG3 :: 2.2550 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.8340 Ave N Shift Values>> N :: 120.68(3.68) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.31 E 0.13 M 0.12 R 0.06 HN Overlap>> 1.L59 1.L59 C Shift Assignments>> C :: 175.7820 CA :: 55.5450 CB :: 29.5180 CG :: 33.6820 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.6540 HA :: 4.3520 HB2 :: 2.1050 HB3 :: 1.9850 HG2 :: 2.4020 HG3 :: 2.4020 HE21 :: 7.6480 HE22 :: 6.9360 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.3260 NE2 :: 113.0500 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.25 M 0.04 G 0.01 C Shift Assignments>> C :: 176.3490 CA :: 56.3370 CB :: 33.1080 CG :: 24.8930 CD :: 28.9940 CE :: 41.8850 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.4630 HA :: 4.3050 HB2 :: 1.7430 HB3 :: 1.8140 HG2 :: 1.4380 HG3 :: 1.3800 HD2 :: 1.6720 HD3 :: 1.6720 HE2 :: 2.9800 HE3 :: 2.9800 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.2780 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.25 M 0.04 G 0.01 C Shift Assignments>> C :: 176.3700 CA :: 56.2730 CB :: 33.1740 CG :: 24.8930 CD :: 28.9940 CE :: 41.8850 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.3760 HA :: 4.3290 HB2 :: 1.7340 HB3 :: 1.7840 HG2 :: 1.4380 HG3 :: 1.3800 HD2 :: 1.6720 HD3 :: 1.6720 HE2 :: 2.9800 HE3 :: 2.9800 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.1440 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.9190 CA :: 62.3210 CB :: 32.7520 CG1 :: 21.1430 CG2 :: 20.6740 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.2230 HA :: 4.0560 HB :: 2.0270 HG11 :: 0.8870 HG12 :: 0.8870 HG13 :: 0.8870 HG21 :: 0.9160 HG22 :: 0.9160 HG23 :: 0.9160 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.5330 Ave N Shift Values>> N :: 121.02(4.96) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.08 A 0.03 G 0.02 C Shift Assignments>> C :: 177.0120 CA :: 54.9580 CB :: 42.3090 CG :: 27.0030 CD1 :: 23.4040 CD2 :: 24.7900 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.3410 HA :: 4.3300 HB2 :: 1.4770 HB3 :: 1.5620 HG :: 1.5720 HD11 :: 0.8300 HD12 :: 0.8300 HD13 :: 0.8300 HD21 :: 0.8830 HD22 :: 0.8830 HD23 :: 0.8830 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.2950 Ave N Shift Values>> N :: 121.98(4.07) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 M 0.19 K 0.1 Q 0.07 I 0.05 HN Overlap>> 1.D20 1.D20 C Shift Assignments>> C :: 174.1210 CA :: 56.2890 CB :: 30.4730 CG :: 36.2600 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.3330 HA :: 4.2000 HB2 :: 1.8370 HB3 :: 1.8950 HG2 :: 2.1340 HG3 :: 2.1910 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.7780 Ave N Shift Values>> N :: 120.68(3.68) 1.H90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 H 0.19 E 0.16 M 0.15 Q 0.13 K 0.12 V 0.01 I 0.01 C Shift Assignments>> C :: 176.4960 CA :: 56.0610 CB :: 30.9150 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.2410 HA :: 4.5250 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.2050 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.12 Y 0.11 R 0.1 F 0.1 K 0.09 Q 0.08 S 0.08 H 0.08 M 0.07 L 0.05 D 0.01 I 0.01 V 0.01 T 0.01 C Shift Assignments>> CA :: 57.5400 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.9380 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.6820 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 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 ########################################################################### Overall Results: #Consistent: 95 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 90 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 95 #Suspicious: 0 C Shift Results: #Consistent: 377 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 640 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 95 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0