Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.L1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 K 0.1 G 0.04 C Shift Assignments>> C :: 179.0440 CA :: 58.1160 CB :: 42.1830 CG :: 26.8560 CD1 :: 27.5460 CD2 :: 24.9650 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>> HA :: 4.0430 HB2 :: 2.1510 HB3 :: 1.3060 HG :: 1.8010 HD11 :: 0.9110 HD12 :: 0.9110 HD13 :: 0.9110 HD21 :: 0.7960 HD22 :: 0.7960 HD23 :: 0.7960 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 :: 118.5660 Ave N Shift Values>> N :: 121.98(4.07) 1.V2 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 181.4620(A) CA :: 65.1620 CB :: 31.8950 CG1 :: 22.3760 CG2 :: 21.1100 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 :: 8.4750 HA :: 4.5280 HB :: 2.1090 HG11 :: 1.0260 HG12 :: 1.0260 HG13 :: 1.0260 HG21 :: 0.9930 HG22 :: 0.9930 HG23 :: 0.9930 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 :: 121.8490 Ave N Shift Values>> N :: 121.02(4.96) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 I 0.06 C Shift Assignments>> C :: 179.4020 CA :: 54.7250 CB :: 17.7840 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.2560 HA :: 4.1730 HB1 :: 1.5110 HB2 :: 1.5110 HB3 :: 1.5110 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.6150 Ave N Shift Values>> N :: 123.23(3.7) 1.Y4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.7100 CA :: 58.6480 CB :: 38.8380 CD1 :: 132.9070 CE1 :: 118.0470 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 :: 7.7170 HA :: 4.4650 HB2 :: 3.3370 HB3 :: 3.1510 HD1 :: 7.1160 HE1 :: 6.7190 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 :: 117.7770 Ave N Shift Values>> N :: 120.79(4.69) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.15 F 0.01 HN Overlap>> 1.G21 1.G21 C Shift Assignments>> C :: 174.2730 CA :: 45.0190 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.9420 HA2 :: 4.3730 HA3 :: 3.6990 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.5560 Ave N Shift Values>> N :: 109.91(4.29) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.4760 CA :: 59.9970 CB :: 37.4980 CG1 :: 28.4690 CG2 :: 17.4010 CD1 :: 12.6520 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 :: 7.8440 HA :: 4.1350 HB :: 1.6720 HG12 :: 1.4980 HG13 :: 1.3240 HG21 :: 0.9200 HG22 :: 0.9200 HG23 :: 0.9200 HD11 :: 0.8540 HD12 :: 0.8540 HD13 :: 0.8540 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 :: 123.1720 Ave N Shift Values>> N :: 121.6(4.72) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 L 0.01 C Shift Assignments>> C :: 178.7100 CA :: 52.7360 CB :: 19.3430 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.3610 HA :: 4.2050 HB1 :: 1.5470 HB2 :: 1.5470 HB3 :: 1.5470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.2010 Ave N Shift Values>> N :: 123.23(3.7) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.88 E 0.11 C Shift Assignments>> C :: 177.3620 CA :: 60.3370 CB :: 28.2900 CG :: 32.8810 CD :: 179.2960 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 :: 8.9290 HA :: 3.6700 HB2 :: 2.2600 HB3 :: 1.9390 HG2 :: 2.4070 HG3 :: 2.1630 HE21 :: 7.9390 HE22 :: 6.6880 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 :: 121.7840 NE2 :: 112.0230 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.04 A 0.01 C Shift Assignments>> C :: 177.2730 CA :: 47.1260 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.0340 HA2 :: 3.8910 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.2620 Ave N Shift Values>> N :: 109.91(4.29) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.4760 CA :: 65.9390 CB :: 68.2520 CG2 :: 22.7030 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 :: 7.2540 HA :: 4.0100 HB :: 4.1770 HG21 :: 1.1540 HG22 :: 1.1540 HG23 :: 1.1540 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 :: 118.9930 Ave N Shift Values>> N :: 115.7(5.05) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 V 0.1 L 0.09 I 0.05 T 0.05 C Shift Assignments>> C :: 178.8780 CA :: 55.7560 CB :: 19.8200 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.1520 HA :: 3.7590 HB1 :: 1.4910 HB2 :: 1.4910 HB3 :: 1.4910 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.0260 Ave N Shift Values>> N :: 123.23(3.7) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.46 K 0.05 C Shift Assignments>> C :: 179.3090 CA :: 59.8990 CB :: 29.7130 CG :: 36.9390 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 :: 8.4420 HA :: 3.7480 HB2 :: 2.1820 HB3 :: 2.0580 HG2 :: 2.5850 HG3 :: 2.2880 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 :: 115.8310 Ave N Shift Values>> N :: 120.68(3.68) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.98 G 0.01 C Shift Assignments>> C :: 178.8420 CA :: 59.1980 CB :: 32.6780 CG :: 25.4130 CE :: 41.9530 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 :: 7.2530 HA :: 4.1470 HB2 :: 2.0850 HB3 :: 1.9620 HG2 :: 1.6880 HG3 :: 1.5030 HE2 :: 2.9770 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 :: 119.7080 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.8060 CA :: 67.4480 CB :: 31.4230 CG1 :: 24.0450 CG2 :: 22.8010 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 :: 8.6490 HA :: 3.3680 HB :: 2.2500 HG11 :: 0.9580 HG12 :: 0.9580 HG13 :: 0.9580 HG21 :: 0.8620 HG22 :: 0.8620 HG23 :: 0.8620 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 :: 119.0120 Ave N Shift Values>> N :: 121.02(4.96) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I58 1.I58 C Shift Assignments>> C :: 177.3250 CA :: 67.6320 CB :: 31.1680 CG1 :: 21.9630 CG2 :: 24.1900 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 :: 8.1720 HA :: 3.4180 HB :: 2.0650 HG11 :: 0.9540 HG12 :: 0.9540 HG13 :: 0.9540 HG21 :: 0.9440 HG22 :: 0.9440 HG23 :: 0.9440 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 :: 117.2260 Ave N Shift Values>> N :: 121.02(4.96) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.5630 CA :: 61.9880 CB :: 62.7810 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.8040 HA :: 4.2320 HB2 :: 4.0640 HB3 :: 4.0400 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 :: 115.3580 Ave N Shift Values>> N :: 116.3(3.95) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 A 0.04 G 0.01 C Shift Assignments>> C :: 179.3820 CA :: 57.9080 CB :: 41.4590 CG :: 26.9660 CD1 :: 26.5620 CD2 :: 21.6700 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 :: 4.2340 HB2 :: 2.0230 HB3 :: 1.4340 HG :: 2.0560 HD11 :: 0.8940 HD12 :: 0.8940 HD13 :: 0.8940 HD21 :: 0.8740 HD22 :: 0.8740 HD23 :: 0.8740 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 :: 121.9950 Ave N Shift Values>> N :: 121.98(4.07) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 181.5450 CA :: 65.8490 CB :: 37.8440 CG1 :: 29.4780 CG2 :: 17.2500 CD1 :: 14.7400 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 :: 8.6900 HA :: 3.7990 HB :: 1.8120 HG12 :: 2.0520 HG13 :: 0.9000 HG21 :: 0.7510 HG22 :: 0.7510 HG23 :: 0.7510 HD11 :: 0.5590 HD12 :: 0.5590 HD13 :: 0.5590 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 :: 121.2730 Ave N Shift Values>> N :: 121.6(4.72) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.99 C Shift Assignments>> C :: 176.1650 CA :: 55.3650 CB :: 38.1960 CG :: 175.0640 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 :: 8.6630 HA :: 4.5480 HB2 :: 2.9030 HB3 :: 2.8190 HD21 :: 7.7730 HD22 :: 6.2360 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 :: 120.6620 ND2 :: 110.2610 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 HN Overlap>> 1.V36 1.V36 C Shift Assignments>> C :: 175.8600 CA :: 52.4780 CB :: 18.6680 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.5640 HA :: 4.4110 HB1 :: 1.5910 HB2 :: 1.5910 HB3 :: 1.5910 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.1050 Ave N Shift Values>> N :: 123.23(3.7) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.1 HN Overlap>> 1.G5 1.G5 C Shift Assignments>> C :: 175.0140 CA :: 45.2860 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.9590 HA2 :: 4.3100 HA3 :: 3.8040 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.5890 Ave N Shift Values>> N :: 109.91(4.29) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 K 0.28 G 0.1 C Shift Assignments>> C :: 177.2710 CA :: 56.3880 CB :: 42.4420 CG :: 29.8480 CD1 :: 25.4410 CD2 :: 25.0360 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 :: 7.5290 HA :: 4.4620 HB2 :: 1.7040 HB3 :: 1.4790 HG :: 1.8090 HD11 :: 0.9380 HD12 :: 0.9380 HD13 :: 0.9380 HD21 :: 0.8820 HD22 :: 0.8820 HD23 :: 0.8820 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 :: 121.6080 Ave N Shift Values>> N :: 121.98(4.07) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.9780 CA :: 60.1850 CB :: 71.1420 CG2 :: 22.0910 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 :: 7.9760 HA :: 4.3350 HB :: 4.5280 HG21 :: 1.3730 HG22 :: 1.3730 HG23 :: 1.3730 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 :: 108.7560 Ave N Shift Values>> N :: 115.7(5.05) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.7720 CA :: 66.1720 CB :: 30.7520 CG1 :: 20.0030 CG2 :: 22.6670 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 :: 8.2010 HA :: 3.3370 HB :: 0.9970 HG11 :: 0.7690 HG12 :: 0.7690 HG13 :: 0.7690 HG21 :: 0.6120 HG22 :: 0.6120 HG23 :: 0.6120 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 :: 119.8970 Ave N Shift Values>> N :: 121.02(4.96) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> C :: 177.3520 CA :: 46.8240 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.3280 HA2 :: 3.8300 HA3 :: 3.7220 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.8360 Ave N Shift Values>> N :: 109.91(4.29) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.1600 CA :: 61.8290 CB :: 63.0220 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.6260 HA :: 4.2860 HB2 :: 3.9990 HB3 :: 3.8920 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 :: 118.3670 Ave N Shift Values>> N :: 116.3(3.95) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.3640 CA :: 66.3330 CB :: 38.0650 CG1 :: 30.1530 CG2 :: 17.7540 CD1 :: 14.7410 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 :: 8.0720 HA :: 3.4940 HB :: 1.9540 HG12 :: 1.9140 HG13 :: 0.8730 HG21 :: 0.8940 HG22 :: 0.8940 HG23 :: 0.8940 HD11 :: 0.7900 HD12 :: 0.7900 HD13 :: 0.7900 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 :: 122.6630 Ave N Shift Values>> N :: 121.6(4.72) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.2780 CA :: 65.1070 CB :: 38.1850 CG1 :: 28.9690 CG2 :: 17.0400 CD1 :: 14.3830 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 :: 8.3170 HA :: 3.7900 HB :: 1.7940 HG12 :: 1.7070 HG13 :: 1.1200 HG21 :: 0.8470 HG22 :: 0.8470 HG23 :: 0.8470 HD11 :: 0.8170 HD12 :: 0.8170 HD13 :: 0.8170 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 :: 119.7220 Ave N Shift Values>> N :: 121.6(4.72) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.1980 CA :: 61.5880 CB :: 63.0210 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.7030 HA :: 4.1850 HB2 :: 3.9870 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 :: 114.9670 Ave N Shift Values>> N :: 116.3(3.95) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.7210 CA :: 64.2310 CB :: 39.3820 CG1 :: 29.2380 CG2 :: 17.1390 CD1 :: 14.2690 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 :: 7.7980 HA :: 3.8840 HB :: 1.7700 HG12 :: 1.7400 HG13 :: 1.0750 HG21 :: 0.8560 HG22 :: 0.8560 HG23 :: 0.8560 HD11 :: 0.7940 HD12 :: 0.7940 HD13 :: 0.7940 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 :: 120.5170 Ave N Shift Values>> N :: 121.6(4.72) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 A 0.16 K 0.01 C Shift Assignments>> C :: 178.4750 CA :: 55.5870 CB :: 39.6990 CG :: 27.1300 CD1 :: 22.8760 CD2 :: 27.3370 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 :: 8.2790 HA :: 4.3620 HB2 :: 1.8490 HB3 :: 1.4510 HG :: 1.7340 HD11 :: 0.8740 HD12 :: 0.8740 HD13 :: 0.8740 HD21 :: 0.8050 HD22 :: 0.8050 HD23 :: 0.8050 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 :: 117.9410 Ave N Shift Values>> N :: 121.98(4.07) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.08 C Shift Assignments>> C :: 175.5120 CA :: 45.6040 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.2190 HA2 :: 4.1230 HA3 :: 3.8780 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.5910 Ave N Shift Values>> N :: 109.91(4.29) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> C :: 175.5100 CA :: 46.6030 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.6670 HA2 :: 4.0620 HA3 :: 3.8790 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.7000 Ave N Shift Values>> N :: 109.91(4.29) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.7260 CA :: 62.7800 CB :: 32.0220 CG1 :: 21.3880 CG2 :: 20.2320 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 :: 8.0490 HA :: 4.3090 HB :: 2.3810 HG11 :: 1.0640 HG12 :: 1.0640 HG13 :: 1.0640 HG21 :: 1.0160 HG22 :: 1.0160 HG23 :: 1.0160 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 :: 117.7370 Ave N Shift Values>> N :: 121.02(4.96) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.9050 CA :: 62.5710 CB :: 69.2470 CG2 :: 22.8360 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 :: 8.1410 HA :: 4.2390 HB :: 4.3550 HG21 :: 1.1510 HG22 :: 1.1510 HG23 :: 1.1510 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 :: 111.8840 Ave N Shift Values>> N :: 115.7(5.05) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.A20 1.A20 C Shift Assignments>> C :: 177.0030 CA :: 64.4400 CB :: 31.9260 CG1 :: 20.9440 CG2 :: 20.9020 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 :: 7.5600 HA :: 3.9400 HB :: 2.1640 HG11 :: 1.0330 HG12 :: 1.0330 HG13 :: 1.0330 HG21 :: 1.0030 HG22 :: 1.0030 HG23 :: 1.0030 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 :: 120.0630 Ave N Shift Values>> N :: 121.02(4.96) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.08 C Shift Assignments>> C :: 176.0840 CA :: 45.5930 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.4270 HA2 :: 4.1430 HA3 :: 4.0770 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.5700 Ave N Shift Values>> N :: 109.91(4.29) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 G 0.05 C Shift Assignments>> C :: 177.9480 CA :: 56.4720 CB :: 42.6440 CG :: 27.2230 CD1 :: 24.7740 CD2 :: 25.5690 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 :: 8.1570 HA :: 4.0940 HB2 :: 1.6300 HG :: 1.7580 HD11 :: 0.9250 HD12 :: 0.9250 HD13 :: 0.9250 HD21 :: 0.9060 HD22 :: 0.9060 HD23 :: 0.9060 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 :: 121.0950 Ave N Shift Values>> N :: 121.98(4.07) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.7420 CA :: 62.2500 CB :: 62.2280 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.4170 HA :: 3.9210 HB2 :: 3.9590 HB3 :: 3.8640 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 :: 113.1220 Ave N Shift Values>> N :: 116.3(3.95) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 175.2250 CA :: 46.3540 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.1690 HA2 :: 4.1080 HA3 :: 3.9900 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.8560 Ave N Shift Values>> N :: 109.91(4.29) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.1120 CA :: 61.4900 CB :: 33.2110 CG1 :: 20.4180 CG2 :: 20.2720 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 :: 7.3210 HA :: 4.4820 HB :: 1.7750 HG11 :: 0.6100 HG12 :: 0.6100 HG13 :: 0.6100 HG21 :: 0.4050 HG22 :: 0.4050 HG23 :: 0.4050 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 :: 114.9220 Ave N Shift Values>> N :: 121.02(4.96) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 Y 0.45 C Shift Assignments>> C :: 176.6560 CA :: 62.3840 CB :: 39.6770 CD1 :: 131.3460 CE1 :: 131.4760 CZ :: 129.8020 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 :: 7.8320 HA :: 3.8900 HB2 :: 3.2220 HB3 :: 3.1440 HD1 :: 7.0400 HE1 :: 7.2440 HZ :: 7.3500 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 :: 122.7260 Ave N Shift Values>> N :: 120.69(4.18) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.7550 CA :: 66.7870 CB :: 68.3020 CG2 :: 22.1700 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 :: 8.6060 HA :: 3.7710 HB :: 4.2420 HG21 :: 1.3410 HG22 :: 1.3410 HG23 :: 1.3410 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 :: 113.6130 Ave N Shift Values>> N :: 115.7(5.05) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 I 0.07 V 0.01 C Shift Assignments>> C :: 181.0440 CA :: 54.8960 CB :: 17.9850 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.8600 HA :: 4.2030 HB1 :: 1.5120 HB2 :: 1.5120 HB3 :: 1.5120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.4060 Ave N Shift Values>> N :: 123.23(3.7) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.0790 CA :: 66.5230 CB :: 31.3230 CG1 :: 24.0370 CG2 :: 22.4210 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 :: 8.3910 HA :: 3.5650 HB :: 2.0460 HG11 :: 1.0170 HG12 :: 1.0170 HG13 :: 1.0170 HG21 :: 0.8360 HG22 :: 0.8360 HG23 :: 0.8360 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 :: 120.4670 Ave N Shift Values>> N :: 121.02(4.96) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.97 G 0.02 C Shift Assignments>> C :: 179.1710 CA :: 60.6060 CB :: 32.0570 CG :: 25.6050 CD :: 29.6470 CE :: 41.7800 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 :: 8.2700 HA :: 3.6990 HB2 :: 1.7870 HB3 :: 1.4230 HG2 :: 1.2160 HD2 :: 1.5480 HE2 :: 2.9190 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 :: 120.4610 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 I 0.06 C Shift Assignments>> C :: 179.5650 CA :: 54.7820 CB :: 18.0040 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.8540 HA :: 4.1920 HB1 :: 1.4710 HB2 :: 1.4710 HB3 :: 1.4710 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.7990 Ave N Shift Values>> N :: 123.23(3.7) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 I 0.08 V 0.01 C Shift Assignments>> C :: 180.1970 CA :: 55.0280 CB :: 17.9680 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.9310 HA :: 4.2320 HB1 :: 1.4280 HB2 :: 1.4280 HB3 :: 1.4280 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.5850 Ave N Shift Values>> N :: 123.23(3.7) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.7620 CA :: 66.3960 CB :: 38.6980 CG1 :: 29.8320 CG2 :: 17.3200 CD1 :: 15.6250 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 :: 8.2700 HA :: 3.1900 HB :: 1.8350 HG12 :: 1.9580 HG13 :: 0.5900 HG21 :: 0.8790 HG22 :: 0.8790 HG23 :: 0.8790 HD11 :: 0.8550 HD12 :: 0.8550 HD13 :: 0.8550 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 :: 118.5350 Ave N Shift Values>> N :: 121.6(4.72) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 I 0.03 V 0.01 L 0.01 C Shift Assignments>> C :: 179.3230 CA :: 54.6840 CB :: 18.8770 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.1980 HA :: 4.1540 HB1 :: 1.5170 HB2 :: 1.5170 HB3 :: 1.5170 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.8530 Ave N Shift Values>> N :: 123.23(3.7) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.98 G 0.01 C Shift Assignments>> C :: 177.6940 CA :: 57.6780 CB :: 34.2790 CG :: 25.3960 CD :: 28.8350 CE :: 42.0100 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 :: 8.0470 HA :: 4.3720 HB2 :: 1.8800 HG2 :: 1.5570 HG3 :: 1.4680 HD2 :: 1.6760 HE2 :: 2.9820 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 :: 114.6060 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.52 E 0.47 C Shift Assignments>> C :: 176.7920 CA :: 56.4540 CB :: 31.7920 CG :: 34.7400 CD :: 179.8140 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 :: 8.7070 HA :: 4.5920 HB2 :: 2.2190 HB3 :: 2.0670 HG2 :: 2.3640 HG3 :: 2.2500 HE21 :: 7.5680 HE22 :: 6.7820 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 :: 115.9420 NE2 :: 111.0730 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.27 F 0.02 Y 0.01 C Shift Assignments>> C :: 173.7410 CA :: 44.5530 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.0450 HA2 :: 4.5680 HA3 :: 4.0660 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.3130 Ave N Shift Values>> N :: 109.91(4.29) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.3130 CA :: 65.2530 CB :: 38.4890 CG1 :: 28.8810 CG2 :: 17.5610 CD1 :: 12.9400 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 :: 8.2810 HA :: 3.5830 HB :: 1.8620 HG12 :: 1.6520 HG13 :: 1.1890 HG21 :: 0.9430 HG22 :: 0.9430 HG23 :: 0.9430 HD11 :: 0.8500 HD12 :: 0.8500 HD13 :: 0.8500 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 :: 117.5790 Ave N Shift Values>> N :: 121.6(4.72) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.97 G 0.02 C Shift Assignments>> C :: 180.0260 CA :: 60.3430 CB :: 31.6930 CG :: 25.6090 CD :: 29.2840 CE :: 41.9270 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 :: 8.3340 HA :: 3.9550 HB2 :: 1.8650 HB3 :: 1.7940 HG2 :: 1.5720 HG3 :: 1.3960 HD2 :: 1.6940 HE2 :: 2.9690 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 :: 119.0390 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.97 G 0.02 C Shift Assignments>> C :: 178.6120 CA :: 57.7150 CB :: 31.7140 CG :: 25.2230 CD :: 28.1730 CE :: 42.1450 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 :: 7.9870 HA :: 4.1300 HB2 :: 1.6850 HG2 :: 1.4370 HD2 :: 1.7730 HD3 :: 1.6850 HE2 :: 2.9380 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 :: 119.1130 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 L 0.1 V 0.09 T 0.04 I 0.04 C Shift Assignments>> C :: 178.7130 CA :: 55.5680 CB :: 19.9220 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.7350 HA :: 3.9110 HB1 :: 1.4550 HB2 :: 1.4550 HB3 :: 1.4550 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.3570 Ave N Shift Values>> N :: 123.23(3.7) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.V15 1.V15 C Shift Assignments>> C :: 177.6880 CA :: 66.1570 CB :: 38.3060 CG1 :: 30.6670 CG2 :: 17.3650 CD1 :: 14.7200 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 :: 8.2570 HA :: 3.4520 HB :: 1.9790 HG12 :: 1.9810 HG13 :: 0.7120 HG21 :: 0.8890 HG22 :: 0.8890 HG23 :: 0.8890 HD11 :: 0.9230 HD12 :: 0.9230 HD13 :: 0.9230 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 :: 117.2790 Ave N Shift Values>> N :: 121.6(4.72) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.68 E 0.31 C Shift Assignments>> C :: 178.9760 CA :: 59.1120 CB :: 28.1890 CG :: 34.0740 CD :: 180.0890 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 :: 7.7520 HA :: 3.9160 HB2 :: 2.2390 HB3 :: 2.1530 HG2 :: 2.5790 HG3 :: 2.4130 HE21 :: 7.4660 HE22 :: 6.8530 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 :: 117.5330 NE2 :: 111.2710 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 G 0.03 C Shift Assignments>> C :: 178.9810 CA :: 58.1880 CB :: 42.3240 CG :: 27.0160 CD1 :: 25.2390 CD2 :: 24.4340 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 :: 8.0360 HA :: 4.0600 HB2 :: 1.8180 HB3 :: 1.7140 HG :: 1.6590 HD11 :: 0.8250 HD12 :: 0.8250 HD13 :: 0.8250 HD21 :: 0.8040 HD22 :: 0.8040 HD23 :: 0.8040 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 :: 121.5730 Ave N Shift Values>> N :: 121.98(4.07) ########################################################################### Overall Results: #Consistent: 59 #Clerical: 0 #Suspicious: 0 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 60 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 60 #Suspicious: 0 C Shift Results: #Consistent: 259 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 419 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 64 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V2 C = 181.4620(A), Expected = 175.69, Std = 2.0300, ChiSquare = 4.4642e-03