Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.24 R 0.21 Q 0.21 E 0.19 M 0.1 I 0.01 C Shift Assignments>> C :: 175.1760 CA :: 55.9000 CB :: 30.0290 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HB2 :: 3.1780 HB3 :: 3.1780 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.G3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.12 R 0.02 C Shift Assignments>> C :: 174.0680 CA :: 45.1410 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5000(D) HA2 :: 3.9820 HA3 :: 3.9890 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.6130(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 1.L26 1.L26 C Shift Assignments>> C :: 176.3610 CA :: 61.9870 CB :: 32.6350 CG1 :: 20.5980 CG2 :: 20.5980 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.0940(D) HA :: 4.1280 HB :: 2.0770 HG11 :: 0.9010 HG12 :: 0.9010 HG13 :: 0.9010 HG21 :: 0.9010 HG22 :: 0.9010 HG23 :: 0.9010 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.3180(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.65 Q 0.15 M 0.14 I 0.04 C Shift Assignments>> C :: 177.0120 CA :: 56.6990 CB :: 30.0290 CG :: 36.0070 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.5450(D) HA :: 4.2880 HG2 :: 2.2630 HG3 :: 2.2630 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.3690(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.1170 CA :: 45.5680 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3520(D) HA2 :: 3.9360 HA3 :: 3.9360 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.7470(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.88 G 0.1 L 0.01 HN Overlap>> 1.R114 1.R114 C Shift Assignments>> C :: 176.0160 CA :: 55.8330 CB :: 30.4440 CG :: 26.5270 CD :: 43.2340 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.0840(D) HA :: 4.3420 HB2 :: 1.8010 HB3 :: 1.8010 HG2 :: 1.6260 HG3 :: 1.6260 HD2 :: 3.1590 HD3 :: 3.1590 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.0590(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.63 D 0.17 Y 0.1 L 0.04 E 0.01 M 0.01 C Shift Assignments>> C :: 174.6670 CA :: 53.4410 CB :: 38.4800 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.4110(D) HA :: 4.3320 HB2 :: 2.7460 HB3 :: 2.7460 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.3790(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.28 R 0.23 Q 0.19 M 0.15 E 0.11 HN Overlap>> 1.D113 1.D113 C Shift Assignments>> CA :: 53.1470 CB :: 30.1970 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1380(D) HA :: 4.6490 HB2 :: 1.8190 HB3 :: 1.8190 HG2 :: 1.6880 HG3 :: 1.6880 HD2 :: 3.1000 HD3 :: 3.1000 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.7000(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.8150 CA :: 63.1770 CB :: 31.8200 CG :: 27.0520 CD :: 50.2680 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4430 HB2 :: 2.2470 HB3 :: 2.2470 HG2 :: 1.9640 HG3 :: 1.9640 HD2 :: 3.6700 HD3 :: 3.6700 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.7020 CA :: 58.0310 CB :: 64.0320 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3250(D) HA :: 4.4180 HB2 :: 3.8030 HB3 :: 3.8030 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.2910(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 M 0.07 C Shift Assignments>> CA :: 50.4580(D) CB :: 18.2570 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1660(D) HA :: 4.3880 HB1 :: 1.3430 HB2 :: 1.3430 HB3 :: 1.3430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.8620(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.3680 CA :: 62.9370 CB :: 32.0220 CG :: 27.5100 CD :: 50.6690 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HB2 :: 1.9540 HB3 :: 1.9540 HG2 :: 1.9540 HG3 :: 1.9540 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.79 G 0.19 C Shift Assignments>> C :: 176.1240 CA :: 54.5270(D) CB :: 43.4180 CG :: 24.9660 CD1 :: 24.9660 CD2 :: 24.9660 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8750(D) HA :: 4.2580 HB2 :: 1.6290 HB3 :: 1.6290 HG :: 1.4530 HD11 :: 0.8000 HD12 :: 0.8000 HD13 :: 0.8000 HD21 :: 0.8000 HD22 :: 0.8000 HD23 :: 0.8000 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.9690(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.45 L 0.28 N 0.17 Y 0.04 R 0.03 C Shift Assignments>> C :: 176.2080 CA :: 52.4680(D) CB :: 41.6290 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.8500(D) HA :: 4.5930 HB2 :: 3.1180 HB3 :: 2.7140 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.7800(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.28 V 0.27 I 0.22 P 0.14 Y 0.02 S 0.02 C Shift Assignments>> C :: 177.2070 CA :: 62.3220(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6580(D) HA :: 4.1200 HB2 :: 3.9400 HB3 :: 3.9400 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.4350(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.22 Q 0.21 E 0.16 H 0.15 I 0.14 L 0.08 M 0.01 C Shift Assignments>> C :: 178.7150 CA :: 58.1130(D) CB :: 28.0400 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.1400(D) HA :: 4.1970 HB2 :: 2.1300 HB3 :: 2.1300 HG2 :: 2.3770 HG3 :: 2.3770 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.4030(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.65 M 0.31 I 0.01 C Shift Assignments>> C :: 180.6160 CA :: 54.6050(D) CB :: 19.0280 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4550(D) HA :: 4.1760 HB1 :: 1.4920 HB2 :: 1.4920 HB3 :: 1.4920 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.7430(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.55 A 0.39 I 0.04 C Shift Assignments>> C :: 179.2390 CA :: 55.2710(D) CB :: 18.1920 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9930(D) HA :: 4.1790 HB1 :: 1.4700 HB2 :: 1.4700 HB3 :: 1.4700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.0890(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.56 A 0.38 I 0.03 C Shift Assignments>> C :: 180.2300 CA :: 55.1430(D) CB :: 18.0280 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7240(D) HA :: 4.0600 HB1 :: 1.5740 HB2 :: 1.5740 HB3 :: 1.5740 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.2260(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.57 R 0.25 E 0.07 I 0.04 M 0.04 C Shift Assignments>> C :: 179.3190 CA :: 58.7620(D) CB :: 28.0290 CG :: 33.5520 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.6380(D) HA :: 4.1290 HB2 :: 2.0700 HB3 :: 2.0700 HG2 :: 2.3770 HG3 :: 2.3770 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.3100(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 178.0260 CA :: 66.1420(D) CB :: 30.9660 CG1 :: 22.2050 CG2 :: 22.2050 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.4420(D) HA :: 3.9660 HB :: 1.9420 HG11 :: 1.1090 HG12 :: 1.1090 HG13 :: 1.1090 HG21 :: 0.7570 HG22 :: 0.7570 HG23 :: 0.7570 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.5650(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.79 A 0.13 I 0.07 C Shift Assignments>> C :: 178.7580 CA :: 55.9150(D) CB :: 16.6500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4950(D) HA :: 4.0960 HB1 :: 1.2510 HB2 :: 1.2510 HB3 :: 1.2510 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.4000(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.2710 CA :: 62.1660(D) CB :: 63.0320 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9360(D) HA :: 4.0930 HB2 :: 4.0930 HB3 :: 4.0930 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.1380(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.4560 CA :: 67.1290(D) CB :: 68.8000 CG2 :: 18.5290 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.7750(D) HA :: 4.3800 HB :: 4.0100 HG21 :: 1.1920 HG22 :: 1.1920 HG23 :: 1.1920 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.7010(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 Y 0.24 R 0.21 D 0.14 I 0.04 HN Overlap>> 1.V4 1.V62 1.V4 1.V62 C Shift Assignments>> C :: 178.3900 CA :: 57.6690(D) CB :: 42.0300 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.0060(D) HA :: 3.5630 HB2 :: 1.9430 HB3 :: 1.9430 HG :: 1.2170 HD11 :: 0.7420 HD12 :: 0.7420 HD13 :: 0.7420 HD21 :: 0.7420 HD22 :: 0.7420 HD23 :: 0.7420 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.2700(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.57 R 0.21 E 0.1 I 0.05 M 0.03 C Shift Assignments>> C :: 178.6570 CA :: 58.7120(D) CB :: 28.0290 CG :: 33.7650 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.4850(D) HA :: 3.8040 HB2 :: 2.1330 HB3 :: 2.1330 HG2 :: 2.5880 HG3 :: 2.5880 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.8430(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.7 M 0.27 C Shift Assignments>> C :: 178.2590 CA :: 53.9620(D) CB :: 18.7380 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4320(D) HA :: 4.0080 HB1 :: 1.4650 HB2 :: 1.4650 HB3 :: 1.4650 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.7790(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.94 R 0.02 G 0.02 C Shift Assignments>> C :: 175.9240 CA :: 55.5640(D) CB :: 42.2660 CG :: 25.5510 CD1 :: 25.5510 CD2 :: 25.5510 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.3110(D) HA :: 3.9960 HB2 :: 1.5830 HB3 :: 1.9520 HG :: 1.5830 HD11 :: 0.6770 HD12 :: 0.6770 HD13 :: 0.6770 HD21 :: 0.6770 HD22 :: 0.6770 HD23 :: 0.6770 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 113.4420(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.14 C Shift Assignments>> C :: 176.3160 CA :: 51.6560(D) CB :: 18.0770 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.2230(D) HA :: 4.1720 HB1 :: 1.4670 HB2 :: 1.4670 HB3 :: 1.4670 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.5630(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 58.1290(D) CB :: 69.0980 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.3990(D) HA :: 4.9500 HG21 :: 1.1370 HG22 :: 1.1370 HG23 :: 1.1370 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.6130(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 S 0.02 C Shift Assignments>> C :: 178.2070 CA :: 66.9050 CB :: 31.2640 CG :: 30.3200 CD :: 51.0740 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4380 HB2 :: 2.1400 HB3 :: 2.1400 HG2 :: 1.7910 HG3 :: 1.7910 HD2 :: 3.9410 HD3 :: 3.9410 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.7420 CA :: 61.7820(D) CB :: 62.4320 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4070(D) HA :: 4.0260 HB2 :: 3.8000 HB3 :: 3.8000 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.7670(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.42 E 0.15 H 0.11 Q 0.1 R 0.1 V 0.05 P 0.02 M 0.01 C Shift Assignments>> C :: 178.2830 CA :: 60.5320(D) CB :: 28.9530 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.3410(D) HA :: 4.0540 HB2 :: 2.0550 HB3 :: 2.0550 HG2 :: 1.6860 HG3 :: 1.6860 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.1350(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 Y 0.29 D 0.15 R 0.15 I 0.06 C Shift Assignments>> C :: 180.6430 CA :: 57.8090(D) CB :: 41.7780 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2260(D) HA :: 4.0540 HG :: 1.2860 HD11 :: 0.7490 HD12 :: 0.7490 HD13 :: 0.7490 HD21 :: 0.7490 HD22 :: 0.7490 HD23 :: 0.7490 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.4540(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.61 Q 0.31 E 0.05 I 0.01 C Shift Assignments>> C :: 177.6710 CA :: 60.6130(D) CB :: 33.1280 CG :: 31.6530 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.4470(D) HA :: 3.9280 HG2 :: 2.4330 HG3 :: 2.6060 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.0730(D) Ave N Shift Values>> N :: 120.09(3.57) 1.I37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.95 Y 0.02 V 0.01 C Shift Assignments>> C :: 177.0920 CA :: 65.6750(D) CB :: 38.2550 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.7630(D) HA :: 3.4400 HB :: 1.9760 HG21 :: 0.6800 HG22 :: 0.6800 HG23 :: 0.6800 HD11 :: 0.6670 HD12 :: 0.6670 HD13 :: 0.6670 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.2390(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.61 R 0.37 G 0.01 C Shift Assignments>> C :: 178.9410 CA :: 58.0310(D) CB :: 41.7800 CG :: 28.1630 CD1 :: 26.1280 CD2 :: 26.1280 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.5380(D) HA :: 3.8260 HD11 :: 0.7760 HD12 :: 0.7760 HD13 :: 0.7760 HD21 :: 0.7760 HD22 :: 0.7760 HD23 :: 0.7760 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.0730(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 177.7470 CA :: 65.5360(D) CB :: 68.3600 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.0860(D) HA :: 3.9320 HG21 :: 1.2210 HG22 :: 1.2210 HG23 :: 1.2210 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.6780(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.55 R 0.32 E 0.06 I 0.03 M 0.03 C Shift Assignments>> C :: 178.3480 CA :: 57.9250(D) CB :: 27.5200 CG :: 33.5640 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.5930(D) HA :: 4.0060 HB2 :: 2.1080 HB3 :: 2.1080 HG2 :: 2.4310 HG3 :: 2.4310 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.3440(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.97 R 0.02 C Shift Assignments>> C :: 178.4180 CA :: 55.5310(D) CB :: 41.3490 CD1 :: 26.0110 CD2 :: 26.0110 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.5700(D) HB3 :: 1.9150 HD11 :: 0.6430 HD12 :: 0.6430 HD13 :: 0.6430 HD21 :: 0.6430 HD22 :: 0.6430 HD23 :: 0.6430 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.3020(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.92 G 0.04 L 0.02 C Shift Assignments>> C :: 177.2050 CA :: 58.7040 CB :: 29.4430 CG :: 27.7270 CD :: 42.6140 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.6120(D) HA :: 3.9150 HB2 :: 1.9450 HB3 :: 1.9450 HG2 :: 1.7870 HG3 :: 1.7870 HD2 :: 3.0390 HD3 :: 3.0390 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.9540(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.5 D 0.25 Y 0.13 L 0.08 C Shift Assignments>> C :: 174.5070 CA :: 53.9530(D) CB :: 39.0300 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.5670(D) HA :: 4.7600 HB2 :: 2.9230 HB3 :: 2.9230 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.6820(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.42 L 0.3 R 0.21 D 0.03 Y 0.02 C Shift Assignments>> CA :: 44.2680(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.3610(D) HA2 :: 3.9090 HA3 :: 3.9090 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.1130(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 I 0.06 R 0.05 Q 0.02 V 0.01 C Shift Assignments>> C :: 178.4120 CA :: 62.5800 CB :: 33.1290 CG :: 26.5410 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HB2 :: 1.9800 HB3 :: 1.9800 HG2 :: 1.5980 HG3 :: 1.5980 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.07 C Shift Assignments>> CA :: 52.5500(D) CB :: 48.2100 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2520(D) HA :: 5.0310 HD11 :: 1.0310 HD12 :: 1.0310 HD13 :: 1.0310 HD21 :: 1.0310 HD22 :: 1.0310 HD23 :: 1.0310 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.3630(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 R 0.13 Q 0.03 I 0.02 C Shift Assignments>> C :: 177.3130 CA :: 61.8350 CB :: 32.3830 CG :: 27.1570 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HB2 :: 2.3560 HB3 :: 2.3560 HG2 :: 2.1370 HG3 :: 2.1370 HD2 :: 3.7700 HD3 :: 3.7700 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 176.7100 CA :: 66.1880(D) CB :: 31.5810 CG1 :: 23.5710 CG2 :: 21.3780 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.0740(D) HA :: 3.6070 HB :: 2.1840 HG11 :: 1.0560 HG12 :: 1.0560 HG13 :: 1.0560 HG21 :: 1.0560 HG22 :: 1.0560 HG23 :: 1.0560 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.3840(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.7170 CA :: 65.0630(D) CB :: 68.0320 CG2 :: 22.6930 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.8480(D) HA :: 4.1810 HB :: 3.8860 HG21 :: 1.3070 HG22 :: 1.3070 HG23 :: 1.3070 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.2930(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 Y 0.28 D 0.27 I 0.04 N 0.03 R 0.03 C Shift Assignments>> C :: 174.7230 CA :: 56.7810(D) CB :: 41.1110 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.1080(D) HA :: 4.2050 HB2 :: 1.9590 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.1380(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.96 R 0.02 G 0.01 HN Overlap>> 1.L111 1.L109 1.L111 1.L109 C Shift Assignments>> C :: 177.0890 CA :: 58.1610(D) CB :: 41.7800 CG :: 25.6200 CD1 :: 25.6200 CD2 :: 25.6200 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9430(D) HA :: 3.9850 HB2 :: 1.6510 HB3 :: 1.6510 HG :: 1.6510 HD11 :: 0.8590 HD12 :: 0.8590 HD13 :: 0.8590 HD21 :: 0.8590 HD22 :: 0.8590 HD23 :: 0.8590 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.0890(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.68 A 0.24 I 0.06 C Shift Assignments>> C :: 179.4660 CA :: 55.6630(D) CB :: 17.6190 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4800(D) HA :: 3.8720 HB1 :: 1.5120 HB2 :: 1.5120 HB3 :: 1.5120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.2370(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.24 Q 0.19 H 0.18 R 0.17 I 0.11 M 0.04 V 0.02 HN Overlap>> 1.Q65 1.Q65 C Shift Assignments>> C :: 179.0730 CA :: 58.8270(D) CB :: 29.4000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.7050(D) HA :: 4.0540 HG2 :: 2.3660 HG3 :: 2.3660 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.6550(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.51 M 0.46 I 0.02 C Shift Assignments>> C :: 179.7710 CA :: 54.6610(D) CB :: 18.2350 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9280(D) HA :: 4.1370 HB1 :: 1.4480 HB2 :: 1.4480 HB3 :: 1.4480 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.2760(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> I 0.99 C Shift Assignments>> C :: 176.0530 CA :: 60.5510(D) CB :: 38.4970 CG1 :: 25.0450 CG2 :: 17.2100 CD1 :: 17.2100 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.5070(D) HB :: 2.0890 HG12 :: 1.5570 HG13 :: 1.5570 HG21 :: 0.8470 HG22 :: 0.8470 HG23 :: 0.8470 HD11 :: 0.8470 HD12 :: 0.8470 HD13 :: 0.8470 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 107.1950(S) Ave N Shift Values>> N :: 121.46(4.28) 1.G56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.93 L 0.05 C Shift Assignments>> C :: 174.4210 CA :: 46.9600(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7570(D) HA2 :: 3.9090 HA3 :: 3.9090 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.1080(D) Ave N Shift Values>> N :: 109.67(3.87) 1.M57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.58 E 0.4 C Shift Assignments>> C :: 174.1570 CA :: 54.0910(D) CB :: 38.0620 CG :: 32.3140 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.6590(D) HA :: 3.9330 HG2 :: 2.5060 HG3 :: 2.5060 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.0890(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.68 M 0.13 Q 0.11 I 0.05 C Shift Assignments>> C :: 178.3550 CA :: 56.6430(D) CB :: 30.0290 CG :: 36.1980 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.5230(D) HA :: 4.3400 HG2 :: 2.4400 HG3 :: 2.4400 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.6560(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.47 E 0.2 I 0.19 R 0.06 P 0.03 M 0.02 C Shift Assignments>> C :: 177.9610 CA :: 60.6160 CB :: 29.0150 CG :: 34.0820 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.0090(D) HA :: 4.2140 HG2 :: 2.2600 HG3 :: 2.4260 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.6860(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.28 T 0.22 V 0.21 S 0.07 Y 0.07 P 0.05 E 0.02 R 0.01 H 0.01 C Shift Assignments>> C :: 176.8010 CA :: 61.2130 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9640(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.1010(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.64 M 0.33 I 0.01 C Shift Assignments>> C :: 180.6350 CA :: 54.2580(D) CB :: 18.6230 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.1030(D) HA :: 4.3510 HB1 :: 1.6010 HB2 :: 1.6010 HB3 :: 1.6010 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.0690(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 1.L26 1.L26 C Shift Assignments>> C :: 177.8420 CA :: 66.7980(D) CB :: 31.2640 CG1 :: 22.7640 CG2 :: 22.7640 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.9710(D) HB :: 1.6040 HG11 :: 0.8820 HG12 :: 0.8820 HG13 :: 0.8820 HG21 :: 0.8820 HG22 :: 0.8820 HG23 :: 0.8820 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.2520(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.8350 CA :: 62.4000(D) CB :: 62.7520 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7430(D) HA :: 4.0340 HB2 :: 4.0340 HB3 :: 4.0340 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.4940(D) Ave N Shift Values>> N :: 116.28(3.52) 1.H64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.21 I 0.17 R 0.17 H 0.15 Q 0.12 V 0.09 M 0.04 P 0.01 C Shift Assignments>> C :: 177.7310 CA :: 59.9980(D) CB :: 29.9340 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.8040(D) HA :: 4.3600 HB2 :: 3.2600 HB3 :: 3.2600 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.0100(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 R 0.24 H 0.2 E 0.17 Q 0.06 V 0.06 HN Overlap>> 1.E53 1.E53 C Shift Assignments>> C :: 179.0550 CA :: 57.5300(D) CG :: 31.8190 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.7510(D) HA :: 4.0350 HG2 :: 2.3000 HG3 :: 2.3000 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.5900(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.4 L 0.27 D 0.17 I 0.1 R 0.03 N 0.01 C Shift Assignments>> C :: 178.3340 CA :: 57.8460(D) CB :: 41.1030 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.6480(D) HA :: 3.9470 HB2 :: 1.6740 HB3 :: 1.6740 HD11 :: 0.1340 HD12 :: 0.1340 HD13 :: 0.1340 HD21 :: 0.6850 HD22 :: 0.6850 HD23 :: 0.6850 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.7460(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.7 G 0.2 I 0.06 L 0.02 C Shift Assignments>> C :: 178.8070 CA :: 59.3770(D) CB :: 29.4750 CD :: 43.5080 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.6070(D) HA :: 3.9430 HB2 :: 1.9180 HB3 :: 1.9180 HG2 :: 1.6160 HG3 :: 1.6160 HD2 :: 3.2260 HD3 :: 3.2260 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.6100(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 178.6900 CA :: 66.4540(D) CB :: 31.7790 CG1 :: 21.1550 CG2 :: 21.1550 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.2590(D) HA :: 3.6330 HG11 :: 0.8680 HG12 :: 0.8680 HG13 :: 0.8680 HG21 :: 0.8680 HG22 :: 0.8680 HG23 :: 0.8680 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.7190(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.98 G 0.01 HN Overlap>> 1.E99 1.E99 C Shift Assignments>> C :: 179.1440 CA :: 57.7500(D) CB :: 41.8600 CD1 :: 24.6780 CD2 :: 24.6780 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3750(D) HA :: 3.9480 HB2 :: 1.9110 HB3 :: 1.9110 HD11 :: 0.8300 HD12 :: 0.8300 HD13 :: 0.8300 HD21 :: 0.8300 HD22 :: 0.8300 HD23 :: 0.8300 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.5320(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.95 M 0.01 P 0.01 C Shift Assignments>> C :: 180.4990 CA :: 58.7770(D) CB :: 30.1550 CG :: 27.1720 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.8220(D) HA :: 3.9310 HG2 :: 1.8890 HG3 :: 1.8890 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.4980(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 N 0.26 E 0.18 D 0.08 M 0.06 I 0.05 L 0.03 C Shift Assignments>> C :: 177.1700 CA :: 55.7770(D) CB :: 37.7340 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.1440(D) HB2 :: 2.9920 HB3 :: 2.9920 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.8160(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.72 G 0.14 R 0.13 C Shift Assignments>> C :: 176.9840 CA :: 55.1250(D) CB :: 43.2690 CD1 :: 26.1660 CD2 :: 26.1660 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8040(D) HA :: 4.3450 HB2 :: 1.7240 HB3 :: 1.7240 HD11 :: 0.8340 HD12 :: 0.8340 HD13 :: 0.8340 HD21 :: 0.8340 HD22 :: 0.8340 HD23 :: 0.8340 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.0440(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.07 C Shift Assignments>> C :: 173.2660 CA :: 46.0220 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8510(D) HA2 :: 3.7330 HA3 :: 3.7330 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.6210(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.47 G 0.38 R 0.13 HN Overlap>> 1.S83 1.S83 C Shift Assignments>> C :: 177.5620 CA :: 56.0310 CB :: 44.4440 CG :: 27.0270 CD1 :: 27.0270 CD2 :: 23.8710 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8080(D) HB2 :: 1.5770 HB3 :: 1.5770 HD11 :: 0.8140 HD12 :: 0.8140 HD13 :: 0.8140 HD21 :: 0.8140 HD22 :: 0.8140 HD23 :: 0.8140 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.5820(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.91 A 0.08 C Shift Assignments>> C :: 173.9220 CA :: 57.9430(D) CB :: 36.0290 CG1 :: 21.7170 CG2 :: 21.7170 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.0790(D) HA :: 4.5270 HB :: 2.0120 HG11 :: 0.7290 HG12 :: 0.7290 HG13 :: 0.7290 HG21 :: 0.7290 HG22 :: 0.7290 HG23 :: 0.7290 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 110.9800(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 174.0410 CA :: 59.9990(D) CG1 :: 20.8060 CG2 :: 20.8060 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.0240(D) HA :: 5.3020 HB :: 1.9940 HG11 :: 0.8270 HG12 :: 0.8270 HG13 :: 0.8270 HG21 :: 0.8270 HG22 :: 0.8270 HG23 :: 0.8270 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.6190(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.53 L 0.26 R 0.14 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.2250 CA :: 44.4620(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2650(D) HA2 :: 4.4510 HA3 :: 4.4510 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.4510(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.37 R 0.23 G 0.19 D 0.16 Y 0.01 N 0.01 HN Overlap>> 1.A100 1.A100 C Shift Assignments>> C :: 174.8170 CA :: 53.1110(D) CB :: 43.6550 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.4790(D) HA :: 4.7460 HB2 :: 2.3980 HB3 :: 2.3980 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.8260(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.9 G 0.08 L 0.01 C Shift Assignments>> C :: 175.5460 CA :: 56.3180 CB :: 30.3760 CG :: 27.0910 CD :: 43.0740 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.5800(D) HA :: 4.4120 HB2 :: 1.7660 HB3 :: 1.7660 HG2 :: 1.5250 HG3 :: 1.5250 HD2 :: 3.1440 HD3 :: 3.1440 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.6130(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.93 M 0.06 C Shift Assignments>> C :: 177.1260 CA :: 51.6200(D) CB :: 19.2600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3960(D) HA :: 4.4520 HB1 :: 1.2130 HB2 :: 1.2130 HB3 :: 1.2130 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.2630(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.8560 CA :: 46.3920 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6410(D) HA2 :: 3.7180 HA3 :: 4.0000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.7390(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.87 G 0.1 L 0.01 C Shift Assignments>> C :: 176.3390 CA :: 56.6900 CB :: 30.2210 CG :: 26.6780 CD :: 43.2830 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.7280(D) HA :: 4.3230 HB2 :: 1.9840 HB3 :: 1.9840 HG2 :: 1.6940 HG3 :: 1.6940 HD2 :: 3.2120 HD3 :: 3.2120 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.7800(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.L74 1.L74 C Shift Assignments>> C :: 172.8690 CA :: 56.8340(D) CB :: 65.1910 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8210(D) HB2 :: 3.7990 HB3 :: 3.7990 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.6780(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 175.5210 CA :: 60.2350(D) CB :: 38.1360 CG1 :: 27.4360 CD1 :: 16.5910 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.2320(D) HB :: 1.6640 HG12 :: 1.0430 HG13 :: 1.0430 HG21 :: 0.7570 HG22 :: 0.7570 HG23 :: 0.7570 HD11 :: 0.3330 HD12 :: 0.3330 HD13 :: 0.3330 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.9960(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 174.8180 CA :: 59.7380(D) CB :: 34.2210 CG1 :: 20.5560 CG2 :: 20.5560 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.4950(D) HA :: 4.3100 HB :: 1.6660 HG11 :: 0.7450 HG12 :: 0.7450 HG13 :: 0.7450 HG21 :: 0.7450 HG22 :: 0.7450 HG23 :: 0.7450 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.8450(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Y86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 Y 0.31 D 0.19 R 0.08 I 0.05 N 0.01 C Shift Assignments>> C :: 173.8080 CA :: 57.4650(D) CB :: 41.4800 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.4880(D) HA :: 4.3190 HB2 :: 2.7220 HB3 :: 2.7220 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.0200(D) Ave N Shift Values>> N :: 120.52(4.2) 1.S87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 174.6930 CA :: 56.1130(D) CB :: 66.3090 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7180(D) HA :: 5.4140 HB2 :: 3.7210 HB3 :: 3.7210 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.6810(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.38 D 0.34 Y 0.11 R 0.08 N 0.05 C Shift Assignments>> C :: 179.0310 CA :: 55.3250(D) CB :: 41.7200 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.0340(D) HA :: 4.9270 HD11 :: 0.8620 HD12 :: 0.8620 HD13 :: 0.8620 HD21 :: 0.8620 HD22 :: 0.8620 HD23 :: 0.8620 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.6120(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.29 T 0.25 V 0.23 P 0.08 S 0.04 Y 0.04 E 0.01 C Shift Assignments>> CA :: 61.7120(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.0750(D) HA :: 4.6220 HB2 :: 2.7180 HB3 :: 2.7180 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.5400(D) Ave N Shift Values>> N :: 120.52(4.2) 1.D90 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T91 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 177.8500 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) 1.V93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 176.7850 CA :: 66.6660 CB :: 31.6370 CG1 :: 22.0200 CG2 :: 22.0200 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1640(D) HA :: 3.5010 HB :: 2.2500 HG11 :: 1.0490 HG12 :: 1.0490 HG13 :: 1.0490 HG21 :: 1.0490 HG22 :: 1.0490 HG23 :: 1.0490 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.2110(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.59 A 0.34 I 0.05 C Shift Assignments>> C :: 177.9790 CA :: 55.4790 CB :: 18.1100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.9420(D) HA :: 3.7900 HB1 :: 1.4270 HB2 :: 1.4270 HB3 :: 1.4270 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.2210(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 R 0.2 Q 0.18 E 0.15 H 0.13 L 0.06 M 0.01 C Shift Assignments>> C :: 177.9930 CA :: 58.8420 CB :: 28.0290 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.7950(D) HA :: 4.0350 HB2 :: 2.1390 HB3 :: 2.1390 HG2 :: 2.4340 HG3 :: 2.4340 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.4160(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.99 C Shift Assignments>> C :: 177.9740 CA :: 59.2820 CB :: 41.0460 CD1 :: 24.3610 CD2 :: 24.3610 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1970(D) HA :: 3.8490 HD11 :: 0.7250 HD12 :: 0.7250 HD13 :: 0.7250 HD21 :: 0.7250 HD22 :: 0.7250 HD23 :: 0.7250 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.7580(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 Y 0.27 R 0.17 D 0.15 I 0.05 C Shift Assignments>> C :: 178.2190 CA :: 57.7300 CB :: 41.8620 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.6600(D) HA :: 3.8300 HD11 :: 0.7350 HD12 :: 0.7350 HD13 :: 0.7350 HD21 :: 0.7350 HD22 :: 0.7350 HD23 :: 0.7350 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.5670(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.53 I 0.19 L 0.12 D 0.11 N 0.02 C Shift Assignments>> C :: 179.3820 CA :: 58.0350 CB :: 39.8390 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2950(D) HA :: 4.1090 HB2 :: 2.5510 HB3 :: 2.8710 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.6070(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.23 Q 0.23 H 0.2 R 0.16 I 0.08 M 0.04 L 0.01 V 0.01 HN Overlap>> 1.L69 1.L69 C Shift Assignments>> C :: 179.3890 CA :: 58.0230 CB :: 29.0290 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3340(D) HA :: 3.8490 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.5420(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.67 A 0.26 I 0.05 HN Overlap>> 1.D78 1.D78 C Shift Assignments>> C :: 180.1840 CA :: 55.5200 CB :: 17.6190 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5500(D) HA :: 3.9980 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.8900(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.94 Y 0.03 V 0.01 C Shift Assignments>> C :: 178.1140 CA :: 65.3760 CB :: 38.0290 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.4930(D) HA :: 3.5890 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.9520(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Y102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.57 Y 0.29 E 0.09 V 0.01 M 0.01 C Shift Assignments>> C :: 179.7720 CA :: 60.7240 CB :: 37.5000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.5200(D) HA :: 4.1710 HB2 :: 2.5880 HB3 :: 2.7630 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.6250(D) Ave N Shift Values>> N :: 120.52(4.2) 1.H103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.32 E 0.18 Q 0.13 H 0.13 R 0.12 V 0.04 M 0.02 P 0.01 C Shift Assignments>> C :: 176.3770 CA :: 60.0430 CB :: 29.0290 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.6220(D) HA :: 4.4250 HB2 :: 3.2220 HB3 :: 3.2220 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.4560(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.7120 CA :: 61.8520 CB :: 63.5500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9000(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.5960(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.24 Q 0.22 H 0.2 R 0.17 I 0.07 M 0.04 V 0.01 L 0.01 C Shift Assignments>> C :: 177.9020 CA :: 58.0310 CB :: 29.2790 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1810(D) HA :: 4.0130 HB2 :: 2.0990 HB3 :: 2.0990 HG2 :: 2.3690 HG3 :: 2.3690 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.0220(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.26 E 0.21 H 0.2 R 0.15 I 0.07 L 0.05 M 0.03 C Shift Assignments>> C :: 175.5750 CA :: 57.3430 CB :: 28.5800 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.7700(D) HA :: 4.4070 HB2 :: 2.9830 HB3 :: 3.3710 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.4820(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.93 G 0.04 A 0.02 C Shift Assignments>> C :: 177.4040 CA :: 55.9910 CB :: 42.0300 CG :: 24.1280 CD1 :: 24.1280 CD2 :: 24.1280 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.6820(D) HA :: 4.0540 HB2 :: 1.3470 HB3 :: 1.3470 HG :: 1.3470 HD11 :: 0.6050 HD12 :: 0.6050 HD13 :: 0.6050 HD21 :: 0.6050 HD22 :: 0.6050 HD23 :: 0.6050 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.3460(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.28 H 0.21 E 0.17 R 0.16 L 0.08 M 0.04 I 0.03 C Shift Assignments>> C :: 174.6060 CA :: 56.0290 CB :: 28.5170 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.0300(D) HA :: 4.0540 HB2 :: 3.1900 HB3 :: 3.1900 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.2220(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.93 G 0.03 A 0.02 HN Overlap>> 1.L111 1.L111 1.L51 1.L51 C Shift Assignments>> C :: 178.0280 CA :: 55.5740 CB :: 42.0760 CG :: 24.2120 CD1 :: 24.2120 CD2 :: 24.2120 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9730(D) HA :: 4.2980 HB2 :: 1.6160 HB3 :: 1.6160 HG :: 1.6160 HD11 :: 0.8530 HD12 :: 0.8530 HD13 :: 0.8530 HD21 :: 0.8530 HD22 :: 0.8530 HD23 :: 0.8530 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.1140(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.6060 CA :: 45.5800 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2550(D) HA2 :: 3.9600 HA3 :: 3.9600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.6310(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.93 A 0.03 G 0.03 HN Overlap>> 1.L109 1.L51 1.L109 1.L51 C Shift Assignments>> C :: 177.7010 CA :: 55.4760 CB :: 41.8990 CG :: 24.1250 CD1 :: 24.1250 CD2 :: 24.1250 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9810(D) HA :: 4.3590 HB2 :: 1.6100 HB3 :: 1.6100 HG :: 1.6100 HD11 :: 0.8460 HD12 :: 0.8460 HD13 :: 0.8460 HD21 :: 0.8460 HD22 :: 0.8460 HD23 :: 0.8460 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.0220(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.3810 CA :: 58.5270 CB :: 63.5930 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2150(D) HA :: 4.4320 HB2 :: 3.8670 HB3 :: 3.8670 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.4710(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.43 L 0.28 N 0.16 Y 0.09 R 0.01 HN Overlap>> 1.R9 1.R9 C Shift Assignments>> C :: 175.9580 CA :: 54.2130(D) CB :: 41.0300 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2030(D) HA :: 4.4270 HB2 :: 2.6500 HB3 :: 2.6500 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.6960(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.88 G 0.1 HN Overlap>> 1.R7 1.R7 C Shift Assignments>> C :: 175.7920 CA :: 55.7350(D) CB :: 30.5860 CG :: 26.4850 CD :: 43.2100 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.0160(D) HA :: 4.2720 HB2 :: 1.6100 HB3 :: 1.6100 HG2 :: 1.6100 HG3 :: 1.6100 HD2 :: 3.1450 HD3 :: 3.1450 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.0880(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.H115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.27 Q 0.26 R 0.19 E 0.13 M 0.09 L 0.03 C Shift Assignments>> CA :: 53.6970 CB :: 29.2990 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.3850(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.5970(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.0900 CA :: 63.1770 CB :: 31.8200 CG :: 26.9800 CD :: 50.3370 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4820 HB2 :: 2.3120 HB3 :: 2.3120 HG2 :: 1.9430 HG3 :: 1.9430 HD2 :: 3.5630 HD3 :: 3.5630 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.2870 CA :: 58.1100 CB :: 63.7500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4870(D) HA :: 4.4650 HB2 :: 3.9010 HB3 :: 3.9010 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.2200(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 176.8790 CA :: 52.4490(D) CB :: 19.4830 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2950(D) HA :: 4.4390 HB1 :: 1.3940 HB2 :: 1.3940 HB3 :: 1.3940 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.0820(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> CA :: 46.1150(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8800(D) HA2 :: 3.9790 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.1420(D) Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 11 #Clerical: 107 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 115 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 119 #Suspicious: 0 C Shift Results: #Consistent: 342 #Duplicate: 70 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 555 #Duplicate: 108 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 107 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.G3 H = 8.5000(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.9368e-01 1.G3 N = 110.6130(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.0749e-01 1.V4 H = 8.0940(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.6988e-01 1.V4 N = 119.3180(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.8818e-01 1.E5 H = 8.5450(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.1555e-01 1.E5 N = 124.3690(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.8781e-01 1.G6 H = 8.3520(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.7300e-01 1.G6 N = 109.7470(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.8413e-01 1.R7 H = 8.0840(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.9815e-01 1.R7 N = 120.0590(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.4042e-01 1.N8 H = 8.4110(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.1027e-01 1.N8 N = 119.3790(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.1129e-01 1.R9 H = 8.1380(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.6720e-01 1.R9 N = 121.7000(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.0679e-01 1.S11 H = 8.3250(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.3920e-01 1.S11 N = 116.2910(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.9751e-01 1.A12 CA = 50.4580(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.7556e-01 1.A12 H = 8.1660(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.5481e-01 1.A12 N = 126.8620(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.0490e-01 1.L14 CA = 54.5270(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.0785e-01 1.L14 H = 7.8750(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.8496e-01 1.L14 N = 120.9690(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.1929e-01 1.D15 CA = 52.4680(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.7370e-01 1.D15 H = 7.8500(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.2772e-01 1.D15 N = 121.7800(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.6972e-01 1.S16 CA = 62.3220(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.1842e-02 1.S16 H = 8.6580(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.2173e-01 1.S16 N = 114.4350(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.0018e-01 1.Q17 CA = 58.1130(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.7089e-01 1.Q17 H = 8.1400(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.9214e-01 1.Q17 N = 122.4030(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.8514e-01 1.A18 CA = 54.6050(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.5936e-01 1.A18 H = 8.4550(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.7084e-01 1.A18 N = 124.7430(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.6909e-01 1.A19 CA = 55.2710(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.8181e-01 1.A19 H = 8.9930(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.8628e-01 1.A19 N = 119.0890(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.4209e-01 1.A20 CA = 55.1430(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.1172e-01 1.A20 H = 7.7240(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.2758e-01 1.A20 N = 119.2260(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.5802e-01 1.Q21 CA = 58.7620(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.0569e-01 1.Q21 H = 7.6380(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.2392e-01 1.Q21 N = 119.3100(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.7201e-01 1.V22 CA = 66.1420(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.0163e-01 1.V22 H = 8.4420(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.2053e-01 1.V22 N = 121.5650(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.2542e-01 1.A23 CA = 55.9150(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6106e-01 1.A23 H = 8.4950(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.2295e-01 1.A23 N = 121.4000(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.0519e-01 1.S24 CA = 62.1660(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.5966e-02 1.S24 H = 7.9360(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.5986e-01 1.S24 N = 112.1380(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.3931e-01 1.T25 CA = 67.1290(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.8044e-02 1.T25 H = 7.7750(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.5325e-01 1.T25 N = 119.7010(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.6745e-01 1.L26 CA = 57.6690(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3606e-01 1.L26 H = 8.0060(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.3038e-01 1.L26 N = 119.2700(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.0662e-01 1.Q27 CA = 58.7120(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.1686e-01 1.Q27 H = 8.4850(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.5332e-01 1.Q27 N = 115.8430(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.6094e-01 1.A28 CA = 53.9620(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.7803e-01 1.A28 H = 7.4320(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.0054e-01 1.A28 N = 118.7790(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.0863e-01 1.L29 CA = 55.5640(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.7903e-01 1.L29 H = 7.3110(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.5741e-01 1.L29 N = 113.4420(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.0892e-02 1.A30 CA = 51.6560(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.5356e-01 1.A30 H = 7.2230(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.0345e-01 1.A30 N = 119.5630(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.0026e-01 1.T31 CA = 58.1290(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.1421e-01 1.T31 H = 8.3990(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.9760e-01 1.T31 N = 114.6130(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.6509e-01 1.S33 CA = 61.7820(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.3908e-01 1.S33 H = 8.4070(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.2957e-01 1.S33 N = 110.7670(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.1730e-01 1.R34 CA = 60.5320(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.0340e-01 1.R34 H = 7.3410(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.4054e-01 1.R34 N = 120.1350(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.5660e-01 1.L35 CA = 57.8090(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.0409e-01 1.L35 H = 8.2260(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.9509e-01 1.L35 N = 118.4540(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.8248e-01 1.M36 CA = 60.6130(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.3458e-02 1.M36 H = 8.4470(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.5529e-01 1.M36 N = 121.0730(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.8305e-01 1.I37 CA = 65.6750(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.2932e-01 1.I37 H = 7.7630(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.4708e-01 1.I37 N = 118.2390(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.5171e-01 1.L38 CA = 58.0310(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.5767e-01 1.L38 H = 8.5380(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.3561e-01 1.L38 N = 116.0730(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3785e-01 1.T39 CA = 65.5360(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.0044e-01 1.T39 H = 8.0860(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.0383e-01 1.T39 N = 106.6780(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.5707e-02 1.Q40 CA = 57.9250(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.2662e-01 1.Q40 H = 7.5930(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.8791e-01 1.Q40 N = 122.3440(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.9545e-01 1.L41 CA = 55.5310(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.6667e-01 1.L41 H = 7.5700(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.0992e-01 1.L41 N = 116.3020(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.5412e-01 1.R42 H = 7.6120(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.0324e-01 1.R42 N = 119.9540(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.1818e-01 1.N43 CA = 53.9530(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.2612e-01 1.N43 H = 7.5670(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.1983e-01 1.N43 N = 114.6820(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.9184e-01 1.G44 CA = 44.2680(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.1940e-01 1.G44 H = 7.3610(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.3602e-01 1.G44 N = 109.1130(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.8556e-01 1.L46 CA = 52.5500(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.4950e-01 1.L46 H = 8.2520(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.7300e-01 1.L46 N = 120.3630(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.0109e-01 1.V48 CA = 66.1880(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.9601e-01 1.V48 H = 9.0740(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.4194e-01 1.V48 N = 119.3840(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.9892e-01 1.T49 CA = 65.0630(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.7234e-01 1.T49 H = 7.8480(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.2722e-01 1.T49 N = 111.2930(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.8493e-01 1.D50 CA = 56.7810(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.0299e-01 1.D50 H = 7.1080(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.8227e-02 1.D50 N = 120.1380(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.9448e-01 1.L51 CA = 58.1610(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3289e-01 1.L51 H = 7.9430(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5882e-01 1.L51 N = 121.0890(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4329e-01 1.A52 CA = 55.6630(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.0258e-01 1.A52 H = 8.4800(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.4074e-01 1.A52 N = 119.2370(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.5933e-01 1.E53 CA = 58.8270(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.7088e-01 1.E53 H = 7.7050(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.8945e-01 1.E53 N = 115.6550(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.4956e-01 1.A54 CA = 54.6610(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.4238e-01 1.A54 H = 7.9280(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.5031e-01 1.A54 N = 120.2760(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.0402e-01 1.I55 CA = 60.5510(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.9273e-01 1.I55 H = 7.5070(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.5564e-01 1.I55 N = 107.1950(S), Expected = 121.46, Std = 4.2800, ChiSquare = 8.5932e-04 1.G56 CA = 46.9600(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.2956e-01 1.G56 H = 7.7570(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.7803e-01 1.G56 N = 111.1080(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.1021e-01 1.M57 CA = 54.0910(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.6526e-01 1.M57 H = 7.6590(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.1650e-01 1.M57 N = 118.0890(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.7514e-01 1.E58 CA = 56.6430(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.4600e-01 1.E58 H = 8.5230(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.4358e-01 1.E58 N = 121.6560(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.7692e-01 1.Q59 H = 9.0090(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.8113e-01 1.Q59 N = 123.6860(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.9168e-01 1.S60 H = 8.9640(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.4632e-01 1.S60 N = 115.1010(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.3767e-01 1.A61 CA = 54.2580(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.7231e-01 1.A61 H = 7.1030(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.7500e-02 1.A61 N = 126.0690(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.2257e-01 1.V62 CA = 66.7980(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.3199e-01 1.V62 H = 7.9710(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.3399e-01 1.V62 N = 119.2520(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.7751e-01 1.S63 CA = 62.4000(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.5440e-02 1.S63 H = 8.7430(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.3260e-01 1.S63 N = 115.4940(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.2331e-01 1.H64 CA = 59.9980(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.3216e-01 1.H64 H = 7.8040(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.2141e-01 1.H64 N = 120.0100(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.3624e-01 1.Q65 CA = 57.5300(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.5372e-01 1.Q65 H = 7.7510(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.2666e-01 1.Q65 N = 115.5900(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.3230e-01 1.L66 CA = 57.8460(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.9599e-01 1.L66 H = 8.6480(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.2017e-01 1.L66 N = 118.7460(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.2460e-01 1.R67 CA = 59.3770(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.5908e-01 1.R67 H = 7.6070(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.9941e-01 1.R67 N = 119.6100(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.4642e-01 1.V68 CA = 66.4540(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6574e-01 1.V68 H = 7.2590(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.2385e-01 1.V68 N = 119.7190(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.5428e-01 1.L69 CA = 57.7500(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1731e-01 1.L69 H = 8.3750(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.2348e-01 1.L69 N = 117.5320(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.6711e-01 1.R70 CA = 58.7770(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.8494e-01 1.R70 H = 8.8220(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.4003e-01 1.R70 N = 122.4980(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.4450e-01 1.N71 CA = 55.7770(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.3409e-01 1.N71 H = 8.1440(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.5572e-01 1.N71 N = 121.8160(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.7391e-01 1.L72 CA = 55.1250(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.1623e-01 1.L72 H = 7.8040(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.1222e-01 1.L72 N = 117.0440(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.1688e-01 1.G73 H = 7.8510(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.6117e-01 1.G73 N = 106.6210(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.3078e-01 1.L74 H = 7.8080(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.1619e-01 1.L74 N = 114.5820(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.2020e-02 1.V75 CA = 57.9430(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.1187e-01 1.V75 H = 7.0790(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.0690e-02 1.V75 N = 110.9800(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.5229e-02 1.V76 CA = 59.9990(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.8377e-01 1.V76 H = 9.0240(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.7329e-01 1.V76 N = 118.6190(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.7870e-01 1.G77 CA = 44.4620(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.0753e-01 1.G77 H = 8.2650(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2034e-01 1.G77 N = 109.4510(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5487e-01 1.D78 CA = 53.1110(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.3667e-01 1.D78 H = 8.4790(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.7076e-01 1.D78 N = 122.8260(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.7294e-01 1.R79 H = 8.5800(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.7727e-01 1.R79 N = 122.6130(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.2225e-01 1.A80 CA = 51.6200(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.4268e-01 1.A80 H = 8.3960(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.4392e-01 1.A80 N = 129.2630(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.8337e-02 1.G81 H = 8.6410(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.3232e-01 1.G81 N = 112.7390(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.2776e-01 1.R82 H = 8.7280(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.2371e-01 1.R82 N = 124.7800(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.7947e-01 1.S83 CA = 56.8340(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.6224e-01 1.S83 H = 7.8210(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.3659e-01 1.S83 N = 114.6780(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.4903e-01 1.I84 CA = 60.2350(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.0791e-01 1.I84 H = 8.2320(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.4373e-01 1.I84 N = 122.9960(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.1969e-01 1.V85 CA = 59.7380(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.3593e-01 1.V85 H = 8.4950(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.5963e-01 1.V85 N = 121.8450(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.7660e-01 1.Y86 CA = 57.4650(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.9106e-01 1.Y86 H = 8.4880(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.1799e-01 1.Y86 N = 125.0200(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.8398e-01 1.S87 CA = 56.1130(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.0788e-01 1.S87 H = 8.7180(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.5786e-01 1.S87 N = 110.6810(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.1169e-01 1.L88 CA = 55.3250(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.8985e-01 1.L88 H = 9.0340(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.1612e-01 1.L88 N = 119.6120(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.6434e-01 1.Y89 CA = 61.7120(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.5355e-01 1.Y89 H = 8.0750(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.3716e-01 1.Y89 N = 120.5400(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.9620e-01 1.V93 H = 8.1640(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.5083e-01 1.V93 N = 120.2110(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3786e-01 1.A94 H = 6.9420(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.6023e-02 1.A94 N = 119.2210(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.5743e-01 1.Q95 H = 7.7950(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.7132e-01 1.Q95 N = 115.4160(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.1395e-01 1.L96 H = 8.1970(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5951e-01 1.L96 N = 120.7580(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.7751e-01 1.L97 H = 7.6600(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.8053e-01 1.L97 N = 117.5670(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.7100e-01 1.D98 H = 8.2950(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7937e-01 1.D98 N = 118.6070(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.9661e-01 1.E99 H = 8.3340(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.9459e-01 1.E99 N = 117.5420(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.6873e-01 1.A100 H = 8.5500(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.5967e-01 1.A100 N = 122.8900(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.2348e-01 1.I101 H = 8.4930(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.5410e-01 1.I101 N = 119.9520(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.2459e-01 1.Y102 H = 8.5200(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.8411e-01 1.Y102 N = 120.6250(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.8006e-01 1.H103 H = 8.6220(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.7428e-01 1.H103 N = 117.4560(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.7650e-01 1.S104 H = 7.9000(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.1953e-01 1.S104 N = 113.5960(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.4576e-01 1.E105 H = 8.1810(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.0062e-01 1.E105 N = 119.0220(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.3581e-01 1.H106 H = 7.7700(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.8945e-01 1.H106 N = 116.4820(D), Expected = 119.69, Std = 4.0000, ChiSquare = 4.2255e-01 1.L107 H = 7.6820(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.9919e-01 1.L107 N = 120.3460(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.9786e-01 1.H108 H = 8.0300(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.5746e-01 1.H108 N = 117.2220(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.3723e-01 1.L109 H = 7.9730(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.9256e-01 1.L109 N = 121.1140(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4830e-01 1.G110 H = 8.2550(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.0814e-01 1.G110 N = 108.6310(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.8833e-01 1.L111 H = 7.9810(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.0166e-01 1.L111 N = 121.0220(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.2987e-01 1.S112 H = 8.2150(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.1228e-01 1.S112 N = 115.4710(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.1822e-01 1.D113 CA = 54.2130(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.1423e-01 1.D113 H = 8.2030(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.5363e-01 1.D113 N = 121.6960(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.8640e-01 1.R114 CA = 55.7350(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.5412e-01 1.R114 H = 8.0160(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.1346e-01 1.R114 N = 120.0880(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.4658e-01 1.H115 H = 8.3850(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.3114e-01 1.H115 N = 120.5970(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.2062e-01 1.S117 H = 8.4870(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.2570e-01 1.S117 N = 116.2200(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.8640e-01 1.A118 CA = 52.4490(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.2710e-01 1.A118 H = 8.2950(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.7419e-01 1.A118 N = 126.0820(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.2045e-01 1.G119 CA = 46.1150(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.6807e-01 1.G119 H = 7.8800(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.8874e-01 1.G119 N = 114.1420(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.4786e-01