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.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.21 P 0.21 T 0.19 S 0.15 I 0.15 C 0.03 F 0.01 Y 0.01 C Shift Assignments>> CA :: 63.0233 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 :: 4.5377 HB2 :: 2.3110 HB3 :: 1.9798 HD2 :: 3.5800 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: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.1 Q 0.1 M 0.09 R 0.09 K 0.08 L 0.07 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.4150 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.7740 HB2 :: 3.8390 HB3 :: 3.7420 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) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.8381 CA :: 63.3106 CB :: 32.1820 CG :: 27.5740 CD :: 50.8920 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 :: 4.4520 HB2 :: 2.3120 HB3 :: 1.9130 HG2 :: 2.0360 HG3 :: 2.0360 HD2 :: 3.8390 HD3 :: 3.7250 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.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.24 C 0.23 M 0.09 E 0.08 R 0.01 C Shift Assignments>> C :: 175.8860 CA :: 55.7754 CB :: 29.7226 CG :: 33.9390 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 :: 8.4254 HA :: 4.3000 HB2 :: 2.0810 HB3 :: 1.9720 HG2 :: 2.3890 HG3 :: 2.3890 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.8409 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.3 R 0.12 C Shift Assignments>> C :: 174.7464 CA :: 54.3284 CB :: 32.3484 CG :: 24.5420 CD :: 28.9500 CE :: 41.9300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.3387 HA :: 4.5800 HB2 :: 1.8390 HB3 :: 1.7040 HG2 :: 1.5160 HG3 :: 1.4090 HD2 :: 1.6960 HD3 :: 1.6960 HE2 :: 2.9790 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.1354 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.7559 CA :: 62.9827 CB :: 31.3822 CG :: 27.6860 CD :: 50.6440 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 :: 4.6030 HB2 :: 2.2030 HB3 :: 2.1820 HG2 :: 2.1871 HG3 :: 2.0940 HD2 :: 3.7760 HD3 :: 3.6860 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.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.43 I 0.03 C Shift Assignments>> C :: 175.2742 CA :: 59.4770 CB :: 44.2834 CG1 :: 25.9330 CG2 :: 19.5720 CD1 :: 14.1780 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 :: 8.4022 HA :: 5.0940 HB :: 1.7730 HG12 :: 1.3470 HG13 :: 1.0620 HG21 :: 0.7482 HG22 :: 0.7482 HG23 :: 0.7482 HD11 :: 0.7550 HD12 :: 0.7550 HD13 :: 0.7550 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.1512 Ave N Shift Values>> N :: 121.46(4.28) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 174.9344 CA :: 62.0646 CB :: 35.0454 CG1 :: 21.9960 CG2 :: 21.9960 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 :: 8.8260 HA :: 4.2850 HB :: 1.7180 HG11 :: 0.7970 HG12 :: 0.7970 HG13 :: 0.7970 HG21 :: 0.7970 HG22 :: 0.7970 HG23 :: 0.7970 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 :: 120.6168 Ave N Shift Values>> N :: 121.14(4.54) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.12 G 0.07 C Shift Assignments>> C :: 174.3159 CA :: 56.3329 CB :: 31.5750 CG :: 27.8940 CD :: 43.4480 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 :: 8.1469 HA :: 4.5530 HB2 :: 1.7820 HB3 :: 1.7510 HG2 :: 1.5990 HG3 :: 1.4680 HD2 :: 3.1760 HD3 :: 3.1760 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 :: 126.2069 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.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 174.2736 CA :: 60.8424 CB :: 34.1709 CG1 :: 21.6950 CG2 :: 21.6950 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 :: 8.4647 HA :: 4.7370 HB :: 1.6910 HG11 :: 0.7340 HG12 :: 0.7340 HG13 :: 0.7340 HG21 :: 0.6560 HG22 :: 0.6560 HG23 :: 0.6560 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.3809 Ave N Shift Values>> N :: 121.14(4.54) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 Y 0.29 C 0.22 C Shift Assignments>> C :: 174.6095 CA :: 57.6694 CB :: 39.6800 CD1 :: 131.6684 CE1 :: 130.6338 CZ :: 129.2046 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.2715 HA :: 4.6810 HB2 :: 2.9850 HB3 :: 2.5840 HD1 :: 6.8640 HE1 :: 7.1169 HZ :: 7.1951 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 128.3501 Ave N Shift Values>> N :: 120.45(4.18) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 C 0.17 A 0.03 R 0.02 C Shift Assignments>> C :: 174.4484 CA :: 53.1271 CB :: 41.7881 CG :: 27.1223 CD1 :: 25.3417 CD2 :: 23.6780 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.4794 HA :: 4.6800 HB2 :: 1.5320 HG :: 1.4644 HD11 :: 0.6470 HD12 :: 0.6470 HD13 :: 0.6470 HD21 :: 0.7176 HD22 :: 0.7176 HD23 :: 0.7176 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.9140 Ave N Shift Values>> N :: 121.86(3.9) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 63.8474 CB :: 31.9800 CG :: 28.2650 CD :: 50.2750 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 :: 4.6325 HB2 :: 2.5610 HB3 :: 1.8490 HG2 :: 2.0372 HG3 :: 1.9690 HD2 :: 3.6241 HD3 :: 3.4180 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.N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.19 E 0.11 Y 0.09 M 0.07 F 0.06 D 0.03 K 0.01 C Shift Assignments>> C :: 174.9523 CA :: 53.9291 CB :: 37.1122 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.4740 HB2 :: 2.9940 HB3 :: 2.9940 HD21 :: 7.5697 HD22 :: 6.8607 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 112.1918 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.27 K 0.23 G 0.01 C Shift Assignments>> C :: 175.9292 CA :: 57.5983 CB :: 29.2408 CG :: 25.5650 CD :: 29.3220 CE :: 42.3900 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.7374 HA :: 3.9820 HB2 :: 2.0950 HB3 :: 2.1130 HG2 :: 1.4270 HG3 :: 1.4270 HD2 :: 1.7180 HD3 :: 1.7180 HE2 :: 3.0200 HE3 :: 3.0200 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 111.8312 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.23 M 0.2 K 0.14 E 0.11 C Shift Assignments>> C :: 174.9593 CA :: 55.0907 CB :: 30.4218 CG :: 34.2000 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 :: 7.0042 HA :: 4.5390 HB2 :: 2.0270 HB3 :: 1.8890 HG2 :: 2.4380 HG3 :: 2.3750 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.8548 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.33 G 0.15 K 0.06 C Shift Assignments>> C :: 175.3845 CA :: 55.0132 CB :: 33.5021 CG :: 26.5810 CD :: 43.6840 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 :: 8.5910 HA :: 5.0910 HB2 :: 1.7020 HB3 :: 1.4910 HG2 :: 1.2800 HG3 :: 1.2800 HD2 :: 2.9380 HD3 :: 2.9169 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 :: 121.2044 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.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 T 0.41 A 0.01 C Shift Assignments>> C :: 171.6289 CA :: 60.4625 CB :: 69.9439 CG2 :: 18.4100 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 :: 8.8692 HA :: 4.6830 HB :: 3.9820 HG21 :: 0.8500 HG22 :: 0.8500 HG23 :: 0.8500 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.2604 Ave N Shift Values>> N :: 115.42(4.75) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> C :: 175.2220 CA :: 60.6257 CB :: 35.0423 CG1 :: 22.3230 CG2 :: 20.5590 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 :: 8.1880 HA :: 5.0200 HB :: 1.9170 HG11 :: 0.8840 HG12 :: 0.8840 HG13 :: 0.8840 HG21 :: 0.8467 HG22 :: 0.8467 HG23 :: 0.8467 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 :: 121.4731 Ave N Shift Values>> N :: 121.14(4.54) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.18 A 0.07 C Shift Assignments>> C :: 172.4553 CA :: 57.3541 CB :: 33.3872 CG1 :: 21.7390 CG2 :: 19.0369 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 :: 8.6290 HA :: 5.0194 HB :: 2.2220 HG11 :: 0.8850 HG12 :: 0.8850 HG13 :: 0.8850 HG21 :: 0.6828 HG22 :: 0.6828 HG23 :: 0.6828 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 :: 118.6301 Ave N Shift Values>> N :: 121.14(4.54) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 176.3654 CA :: 62.4035 CB :: 32.2881 CG :: 27.6500 CD :: 50.8300 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 :: 4.6250 HB2 :: 2.3690 HB3 :: 1.8040 HG2 :: 2.0810 HG3 :: 2.0810 HD2 :: 3.8430 HD3 :: 3.8430 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.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.03 C 0.01 C Shift Assignments>> C :: 174.8220 CA :: 49.9947 CB :: 18.8964 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1288 HA :: 4.3620 HB1 :: 1.0000 HB2 :: 1.0000 HB3 :: 1.0000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.6704 Ave N Shift Values>> N :: 123.23(3.54) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.35 G 0.1 K 0.05 C Shift Assignments>> C :: 174.1476 CA :: 55.2240 CB :: 31.8296 CG :: 27.3000 CD :: 43.5910 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 :: 6.7502 HA :: 4.2880 HB2 :: 1.7450 HB3 :: 1.5450 HG2 :: 1.5950 HG3 :: 1.5550 HD2 :: 3.1960 HD3 :: 3.1960 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 :: 122.7292 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.C33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 C 0.21 R 0.15 W 0.09 Q 0.06 L 0.04 E 0.04 H 0.04 K 0.04 P 0.02 HN Overlap>> 1.E88 1.E88 C Shift Assignments>> C :: 176.0093 CA :: 59.7655 CB :: 27.2147 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.3463 HA :: 4.4370 HB2 :: 2.9060 HB3 :: 2.8895 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.3740 Ave N Shift Values>> N :: 120.17(4.64) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.4997 CA :: 45.1740 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.6484 HA2 :: 4.1870 HA3 :: 3.5820 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.8226 Ave N Shift Values>> N :: 109.67(3.87) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 175.3577 CA :: 60.7991 CB :: 33.1325 CG1 :: 21.8520 CG2 :: 21.8520 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 :: 7.4162 HA :: 4.4930 HB :: 2.0010 HG11 :: 1.0890 HG12 :: 1.0890 HG13 :: 1.0890 HG21 :: 0.7770 HG22 :: 0.7770 HG23 :: 0.7770 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.1127 Ave N Shift Values>> N :: 121.14(4.54) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.29 C Shift Assignments>> C :: 178.2699 CA :: 61.4194 CB :: 72.3824 CG2 :: 22.3060 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 :: 8.8236 HA :: 4.8140 HB :: 4.9070 HG21 :: 1.3350 HG22 :: 1.3350 HG23 :: 1.3350 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.0672 Ave N Shift Values>> N :: 115.42(4.75) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 178.0191 CA :: 67.9927 CB :: 31.6816 CG1 :: 22.5340 CG2 :: 23.4760 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 :: 8.8259 HA :: 3.5250 HB :: 2.3200 HG11 :: 0.8330 HG12 :: 0.8330 HG13 :: 0.8330 HG21 :: 0.8330 HG22 :: 0.8330 HG23 :: 0.8330 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 :: 124.5972 Ave N Shift Values>> N :: 121.14(4.54) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.38 G 0.06 K 0.03 C Shift Assignments>> C :: 177.5767 CA :: 60.7065 CB :: 30.8944 CG :: 27.0010 CD :: 43.1530 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 :: 8.8532 HA :: 4.0590 HB2 :: 2.1440 HB3 :: 1.8260 HG2 :: 1.2900 HG3 :: 1.0250 HD2 :: 3.1410 HD3 :: 3.0120 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 :: 118.8942 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.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 C 0.12 D 0.09 L 0.09 I 0.07 N 0.02 K 0.02 C Shift Assignments>> C :: 179.3994 CA :: 57.4885 CB :: 40.0303 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 :: 8.1428 HA :: 4.4540 HB2 :: 2.7590 HB3 :: 2.6410 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 :: 118.2440 Ave N Shift Values>> N :: 120.65(3.86) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.3164 CA :: 61.8174 CB :: 63.4252 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5287 HA :: 4.3130 HB2 :: 4.1780 HB3 :: 3.7080 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 :: 116.5274 Ave N Shift Values>> N :: 116.28(3.52) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 L 0.36 R 0.18 G 0.08 C Shift Assignments>> C :: 176.9549 CA :: 55.3857 CB :: 43.2890 CG :: 28.7850 CD1 :: 24.9440 CD2 :: 24.9440 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 :: 7.8502 HA :: 4.4920 HB2 :: 1.9170 HB3 :: 1.7170 HG :: 1.7930 HD11 :: 0.8426 HD12 :: 0.8426 HD13 :: 0.8426 HD21 :: 0.8020 HD22 :: 0.8020 HD23 :: 0.8020 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 :: 118.5036 Ave N Shift Values>> N :: 121.86(3.9) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 K 0.31 R 0.03 G 0.02 C Shift Assignments>> C :: 177.6918 CA :: 61.7971 CB :: 32.2401 CG :: 24.6110 CD :: 30.0220 CE :: 42.2120 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.7169 HA :: 3.7210 HB2 :: 2.0150 HB3 :: 1.8930 HG2 :: 1.4535 HG3 :: 1.3882 HD2 :: 1.6720 HD3 :: 1.6720 HE2 :: 2.9630 HE3 :: 2.9630 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.0011 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.39 R 0.11 G 0.01 C Shift Assignments>> C :: 178.1952 CA :: 60.1663 CB :: 31.7648 CG :: 25.3680 CD :: 29.2610 CE :: 42.2580 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5760 HA :: 4.0760 HB2 :: 1.8700 HB3 :: 1.8700 HG2 :: 1.5250 HG3 :: 1.4140 HD2 :: 1.7360 HD3 :: 1.7360 HE2 :: 3.0210 HE3 :: 3.0210 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.3788 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.37 I 0.02 C 0.01 C Shift Assignments>> C :: 180.8680 CA :: 54.8043 CB :: 17.6193 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3537 HA :: 4.0360 HB1 :: 1.3830 HB2 :: 1.3830 HB3 :: 1.3830 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.3228 Ave N Shift Values>> N :: 123.23(3.54) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.44 C Shift Assignments>> C :: 179.3742 CA :: 58.2012 CB :: 40.2530 CG :: 27.6380 CD1 :: 25.7130 CD2 :: 23.7410 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 :: 8.1620 HA :: 3.9550 HB2 :: 1.6900 HB3 :: 1.3400 HG :: 1.8300 HD11 :: 0.7466 HD12 :: 0.7466 HD13 :: 0.7466 HD21 :: 0.7600 HD22 :: 0.7600 HD23 :: 0.7600 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 :: 115.7195 Ave N Shift Values>> N :: 121.86(3.9) 1.M46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.43 C Shift Assignments>> C :: 180.6711 CA :: 59.1188 CB :: 32.3023 CG :: 32.2960 CE :: 16.8859 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 :: 8.5116 HA :: 4.3590 HB2 :: 2.6380 HB3 :: 2.2390 HG2 :: 2.7640 HG3 :: 2.6510 HE1 :: 2.1026 HE2 :: 2.1026 HE3 :: 2.1026 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 :: 121.5742 Ave N Shift Values>> N :: 120.09(3.57) 1.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.47 A 0.01 C Shift Assignments>> C :: 176.8890 CA :: 58.0739 CB :: 32.6236 CG :: 32.0360 CE :: 16.7246 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 :: 8.2030 HA :: 4.2900 HB2 :: 2.1930 HB3 :: 2.1930 HG2 :: 2.7390 HG3 :: 2.7390 HE1 :: 2.1169 HE2 :: 2.1169 HE3 :: 2.1169 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 :: 118.5399 Ave N Shift Values>> N :: 120.09(3.57) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 C 0.31 K 0.07 G 0.06 C Shift Assignments>> C :: 175.7770 CA :: 54.9313 CB :: 30.3595 CG :: 27.6950 CD :: 43.2750 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 :: 7.3401 HA :: 4.5200 HB2 :: 2.2590 HB3 :: 1.5750 HG2 :: 1.7130 HG3 :: 1.7130 HD2 :: 3.1730 HD3 :: 3.0870 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.1584 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.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.9111 CA :: 46.2426 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8683 HA2 :: 4.0260 HA3 :: 3.8260 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.1658 Ave N Shift Values>> N :: 109.67(3.87) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.29 C 0.11 A 0.05 C Shift Assignments>> C :: 175.2560 CA :: 53.0925 CB :: 45.0780 CG :: 26.5240 CD1 :: 25.9770 CD2 :: 23.0840 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 :: 7.8588 HA :: 4.6630 HB2 :: 1.5460 HB3 :: 1.0470 HG :: 1.4710 HD11 :: 0.7868 HD12 :: 0.7868 HD13 :: 0.7868 HD21 :: 0.8152 HD22 :: 0.8152 HD23 :: 0.8152 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 :: 120.2314 Ave N Shift Values>> N :: 121.86(3.9) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.43 A 0.03 C Shift Assignments>> C :: 175.3260 CA :: 57.9028 CB :: 39.3472 CG1 :: 26.2900 CG2 :: 18.1457 CD1 :: 12.9989 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 :: 7.6551 HA :: 4.6410 HB :: 1.9693 HG12 :: 1.1852 HG13 :: 1.3488 HG21 :: 0.9242 HG22 :: 0.9242 HG23 :: 0.9242 HD11 :: 0.8692 HD12 :: 0.8692 HD13 :: 0.8692 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.0276 Ave N Shift Values>> N :: 121.46(4.28) 1.P52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.7548 CA :: 66.2716 CB :: 30.2858 CG :: 27.3960 CD :: 50.3910 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 :: 3.3940 HB2 :: 1.0230 HB3 :: 0.3430(S) HG2 :: 1.7820 HG3 :: 1.2350 HD2 :: 3.8120 HD3 :: 3.6900 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.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 C 0.4 E 0.12 C Shift Assignments>> C :: 177.4533 CA :: 59.8499 CB :: 28.7439 CG :: 37.9580 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 :: 8.7007 HA :: 4.0140 HB2 :: 2.0250 HB3 :: 1.9550 HG2 :: 2.4590 HG3 :: 2.1730 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 :: 112.2600 Ave N Shift Values>> N :: 120.67(3.48) 1.C54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.15 K 0.13 E 0.13 Q 0.11 H 0.1 R 0.09 I 0.06 M 0.02 C Shift Assignments>> C :: 173.3014 CA :: 58.4937 CB :: 29.1463 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.8235 HA :: 4.8450 HB2 :: 3.3950 HB3 :: 3.1590 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.6600 Ave N Shift Values>> N :: 120.17(4.64) 1.C55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 K 0.17 M 0.12 Q 0.11 V 0.08 R 0.07 W 0.07 H 0.06 E 0.04 C Shift Assignments>> C :: 172.1026 CA :: 58.5374 CB :: 32.9644 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.1222 HA :: 5.5430 HB2 :: 3.1350 HB3 :: 3.0060 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.4450 Ave N Shift Values>> N :: 120.17(4.64) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 A 0.27 C 0.15 K 0.04 C Shift Assignments>> C :: 174.6987 CA :: 51.1615 CB :: 23.0762 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.3420 HA :: 4.6850 HB1 :: 1.3850 HB2 :: 1.3850 HB3 :: 1.3850 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.7462 Ave N Shift Values>> N :: 123.23(3.54) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.43 C Shift Assignments>> C :: 174.0936 CA :: 59.2446 CB :: 33.4924 CG1 :: 20.5130 CG2 :: 21.1910 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 :: 7.8847 HA :: 5.0570 HB :: 1.2540 HG11 :: 0.0820 HG12 :: 0.0820 HG13 :: 0.0820 HG21 :: -0.0250 HG22 :: -0.0250 HG23 :: -0.0250 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.8457 Ave N Shift Values>> N :: 121.14(4.54) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.25 G 0.01 C Shift Assignments>> C :: 174.1828 CA :: 56.3626 CB :: 42.1085 CD1 :: 133.3475 CE1 :: 118.0224 CE2 :: 118.0264 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 :: 8.9191 HA :: 5.2260 HB2 :: 2.7990 HB3 :: 2.5720 HD1 :: 6.6100 HE1 :: 6.4196 HE2 :: 6.4576 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 :: 122.1432 Ave N Shift Values>> N :: 120.52(4.2) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 G 0.31 R 0.26 K 0.01 HN Overlap>> 1.S75 1.S75 C Shift Assignments>> C :: 174.3055 CA :: 53.8403 CB :: 33.6579 CG :: 26.8880 CD :: 43.9970 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 :: 8.9094 HA :: 5.1570 HB2 :: 2.0350 HB3 :: 1.7190 HG2 :: 1.6950 HG3 :: 1.5190 HD2 :: 3.1420 HD3 :: 3.0080 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 :: 118.0458 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.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.46 C Shift Assignments>> C :: 176.0587 CA :: 59.8256 CB :: 37.4106 CG1 :: 27.2920 CG2 :: 17.0410 CD1 :: 11.2360 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.3433 HA :: 4.8290 HB :: 1.7570 HG12 :: 1.2040 HG13 :: 0.9100 HG21 :: 0.6210 HG22 :: 0.6210 HG23 :: 0.6210 HD11 :: 0.3310 HD12 :: 0.3310 HD13 :: 0.3310 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.4593 Ave N Shift Values>> N :: 121.46(4.28) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.27 Q 0.2 E 0.03 K 0.01 C Shift Assignments>> C :: 175.1499 CA :: 54.7327 CB :: 31.8650 CG :: 33.6690 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 :: 8.9330 HA :: 4.6413 HB2 :: 1.8910 HB3 :: 1.7890 HG2 :: 2.2939 HG3 :: 2.2200 HE21 :: 7.6583 HE22 :: 6.8321 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 :: 128.2574 NE2 :: 112.3539 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.22 F 0.19 Y 0.18 L 0.13 N 0.12 C 0.1 I 0.02 K 0.01 C Shift Assignments>> C :: 175.9544 CA :: 55.6899 CB :: 39.8913 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>> HA :: 4.2880 HB2 :: 2.9240 HB3 :: 2.6800 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) 1.G63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.4187 CA :: 45.4612 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2332 HA2 :: 4.1170 HA3 :: 3.4690 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 127.7250(S) Ave N Shift Values>> N :: 109.67(3.87) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 M 0.35 E 0.2 Q 0.02 C Shift Assignments>> C :: 174.6992 CA :: 54.5223 CB :: 32.5197 CG :: 36.0560 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.7988 HA :: 4.5380 HB2 :: 2.0090 HB3 :: 1.9160 HG2 :: 2.2630 HG3 :: 2.1260 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.8144 Ave N Shift Values>> N :: 120.67(3.48) 1.K65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.49 C 0.47 R 0.03 C Shift Assignments>> C :: 176.1203 CA :: 56.6426 CB :: 32.7448 CG :: 25.2410 CD :: 29.4910 CE :: 41.0490 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5218 HA :: 4.3640 HB2 :: 1.3820 HB3 :: 1.1800 HG2 :: 1.0110 HG3 :: 0.6670 HD2 :: 0.9736 HD3 :: 0.8570(S) HE2 :: 2.0430(S) HE3 :: 2.0430(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.6152 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.27 R 0.13 G 0.05 A 0.02 C Shift Assignments>> C :: 173.6626 CA :: 52.0535 CB :: 32.9596 CG :: 24.2234 CD :: 28.8859 CE :: 42.4643 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.3627 HA :: 5.0503 HB2 :: 1.8152 HB3 :: 1.8700 HG2 :: 1.4412 HD2 :: 1.6943 HD3 :: 1.6203 HE2 :: 2.9729 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.8452 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 176.3477 CA :: 63.2533 CB :: 32.8013 CG :: 27.5150 CD :: 51.3160 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 :: 4.4750 HB2 :: 2.2660 HB3 :: 1.8610 HG2 :: 2.1430 HG3 :: 2.0350 HD2 :: 3.9370 HD3 :: 3.8590 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.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.46 A 0.04 C Shift Assignments>> C :: 174.8934 CA :: 57.6879 CB :: 40.3126 CG1 :: 26.5780 CG2 :: 17.6350 CD1 :: 13.2810 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 :: 8.0261 HA :: 4.3800 HB :: 1.4840 HG12 :: 1.2030 HG13 :: 1.2030 HG21 :: 0.7350 HG22 :: 0.7350 HG23 :: 0.7350 HD11 :: 0.7171 HD12 :: 0.7171 HD13 :: 0.7171 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 :: 122.0272 Ave N Shift Values>> N :: 121.46(4.28) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 176.3519 CA :: 45.4315 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4618 HA2 :: 4.1010 HA3 :: 3.7590 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.1579 Ave N Shift Values>> N :: 109.67(3.87) 1.W70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 W 0.45 C Shift Assignments>> C :: 176.2002 CA :: 60.5930 CB :: 30.7385 CD1 :: 127.7932 CE3 :: 119.3687 CZ2 :: 115.6622 CZ3 :: 120.8499 CH2 :: 122.5858 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.9211 HA :: 4.2360 HB2 :: 3.2270 HB3 :: 3.1490 HD1 :: 7.4681 HE1 :: 9.7670 HE3 :: 7.3092 HZ2 :: 7.1822 HZ3 :: 6.7667 HH2 :: 6.6862 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 125.1196 NE1 :: 129.0583 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.19 L 0.17 F 0.1 Y 0.08 C 0.06 K 0.03 C Shift Assignments>> C :: 175.0865 CA :: 54.0844 CB :: 40.4942 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 :: 8.5550 HA :: 4.8950 HB2 :: 2.8980 HB3 :: 2.6790 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 :: 114.1223 Ave N Shift Values>> N :: 120.65(3.86) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 172.8128 CA :: 63.3166 CB :: 70.0776 CG2 :: 21.6590 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 :: 7.2458 HA :: 3.8640 HB :: 3.9390 HG21 :: 1.2700 HG22 :: 1.2700 HG23 :: 1.2700 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.5169 Ave N Shift Values>> N :: 115.42(4.75) 1.D73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.26 L 0.26 K 0.16 F 0.08 Y 0.05 R 0.05 N 0.05 C 0.05 C Shift Assignments>> C :: 177.2107 CA :: 54.5391 CB :: 41.7408 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 :: 7.4388 HA :: 4.1800 HB2 :: 1.9020 HB3 :: 1.6600(S) 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 :: 125.7653 Ave N Shift Values>> N :: 120.65(3.86) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.38 C Shift Assignments>> C :: 176.3338 CA :: 62.0524 CB :: 39.7604 CG1 :: 29.5910 CG2 :: 19.9410 CD1 :: 15.3960 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.0992 HA :: 3.8450 HB :: 1.4080 HG12 :: 1.3980 HG13 :: 1.3980 HG21 :: 1.0450 HG22 :: 1.0450 HG23 :: 1.0450 HD11 :: 0.8020 HD12 :: 0.8020 HD13 :: 0.8020 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 :: 128.8929 Ave N Shift Values>> N :: 121.46(4.28) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.R59 1.R59 C Shift Assignments>> C :: 177.8391 CA :: 61.1926 CB :: 63.1470 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9697 HA :: 3.9020 HB2 :: 3.5420 HB3 :: 3.9160 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 :: 118.0456 Ave N Shift Values>> N :: 116.28(3.52) 1.W76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 176.5907 CA :: 57.6497 CB :: 28.5598 CD1 :: 125.5945 CE3 :: 121.1841 CZ2 :: 114.8527 CZ3 :: 121.6807 CH2 :: 124.9059 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.9716 HA :: 4.7790 HB2 :: 3.4590 HB3 :: 3.2920 HD1 :: 7.2248 HE1 :: 10.1418 HE3 :: 7.6857 HZ2 :: 7.5374 HZ3 :: 7.1936 HH2 :: 7.2858 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 124.4085 NE1 :: 128.3833 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.21 R 0.1 A 0.05 G 0.01 C Shift Assignments>> C :: 174.7216 CA :: 53.2368 CB :: 42.0912 CG :: 27.0680 CD1 :: 27.0680 CD2 :: 23.4270 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 :: 7.8491 HA :: 4.4970 HB2 :: 1.7780 HB3 :: 1.7780 HG :: 1.5360 HD11 :: 0.8573 HD12 :: 0.8573 HD13 :: 0.8573 HD21 :: 0.8152 HD22 :: 0.8152 HD23 :: 0.8152 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 :: 119.0090 Ave N Shift Values>> N :: 121.86(3.9) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.5386 CA :: 65.7315 CB :: 69.1984 CG2 :: 22.1550 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 :: 7.0325 HA :: 3.5050 HB :: 4.0830 HG21 :: 1.2640 HG22 :: 1.2640 HG23 :: 1.2640 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.9258 Ave N Shift Values>> N :: 115.42(4.75) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.3326 CA :: 45.7073 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9924 HA2 :: 4.3060 HA3 :: 3.8880 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.7204 Ave N Shift Values>> N :: 109.67(3.87) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.34 M 0.19 Q 0.03 K 0.02 C Shift Assignments>> C :: 174.6897 CA :: 55.3110 CB :: 30.9470 CG :: 36.4150 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 :: 8.2982 HA :: 4.6610 HB2 :: 2.1990 HB3 :: 2.1380 HG2 :: 2.1430 HG3 :: 2.1430 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 :: 119.4791 Ave N Shift Values>> N :: 120.67(3.48) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.26 M 0.24 C Shift Assignments>> C :: 175.4098 CA :: 54.6719 CB :: 31.9503 CG :: 37.1370 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 :: 8.3635 HA :: 5.2200 HB2 :: 2.0580 HB3 :: 1.8940 HG2 :: 2.3860 HG3 :: 2.1350 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.1409 Ave N Shift Values>> N :: 120.67(3.48) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.34 C 0.1 A 0.01 C Shift Assignments>> C :: 175.0753 CA :: 52.7550 CB :: 45.0694 CG :: 26.8560 CD1 :: 25.2490 CD2 :: 23.9100 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 :: 8.9309 HA :: 5.1020 HB2 :: 1.4980 HB3 :: 1.2580 HG :: 1.5300 HD11 :: 0.6505 HD12 :: 0.6505 HD13 :: 0.6505 HD21 :: 0.7228 HD22 :: 0.7228 HD23 :: 0.7228 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.9880 Ave N Shift Values>> N :: 121.86(3.9) 1.H83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 H 0.28 W 0.05 Y 0.02 C Shift Assignments>> C :: 174.0735 CA :: 55.4081 CB :: 33.3987 CD2 :: 116.9404 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 :: 9.1212 HA :: 5.0750 HB2 :: 2.6870 HB3 :: 2.1150 HD2 :: 6.7051 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 :: 121.4922 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 175.0373 CA :: 60.8187 CB :: 33.9757 CG1 :: 21.7490 CG2 :: 21.7490 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 :: 8.5412 HA :: 4.9970 HB :: 2.0320 HG11 :: 0.9840 HG12 :: 0.9840 HG13 :: 0.9840 HG21 :: 0.8040 HG22 :: 0.8040 HG23 :: 0.8040 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 :: 121.9279 Ave N Shift Values>> N :: 121.14(4.54) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 M 0.21 E 0.06 C Shift Assignments>> C :: 175.1817 CA :: 53.7077 CB :: 34.1617 CG :: 36.0270 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.0948 HA :: 4.9550 HB2 :: 2.1550 HB3 :: 2.0030 HG2 :: 2.3400 HG3 :: 2.2330 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 :: 124.8907 Ave N Shift Values>> N :: 120.67(3.48) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 176.8112 CA :: 62.9664 CB :: 32.6510 CG1 :: 21.9750 CG2 :: 21.9750 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 :: 8.7722 HA :: 4.4560 HB :: 2.0680 HG11 :: 1.0860 HG12 :: 1.0860 HG13 :: 1.0860 HG21 :: 1.0860 HG22 :: 1.0860 HG23 :: 1.0860 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.1771 Ave N Shift Values>> N :: 121.14(4.54) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.27 R 0.08 A 0.02 G 0.01 C Shift Assignments>> C :: 177.0536 CA :: 55.3408 CB :: 42.4429 CG :: 27.1320 CD1 :: 25.4590 CD2 :: 23.2340 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 :: 8.6324 HA :: 4.3740 HB2 :: 1.6380 HB3 :: 1.4970 HG :: 1.4710 HD11 :: 0.9080 HD12 :: 0.9080 HD13 :: 0.9080 HD21 :: 0.9080 HD22 :: 0.9080 HD23 :: 0.9080 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 :: 127.8688 Ave N Shift Values>> N :: 121.86(3.9) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 M 0.17 Q 0.03 K 0.02 I 0.01 HN Overlap>> 1.C33 1.C33 C Shift Assignments>> C :: 175.9212 CA :: 56.4066 CB :: 31.0096 CG :: 36.3670 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 :: 8.3994 HA :: 4.3520 HB2 :: 2.0540 HB3 :: 1.9360 HG2 :: 2.2570 HG3 :: 2.3120 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 :: 121.2884 Ave N Shift Values>> N :: 120.67(3.48) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.19 C 0.09 F 0.08 Y 0.08 L 0.05 C Shift Assignments>> C :: 174.0657 CA :: 53.4787 CB :: 38.9875 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 :: 8.5158 HA :: 4.7540 HB2 :: 2.8570 HB3 :: 2.7660 HD21 :: 7.6308 HD22 :: 6.8766 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 :: 119.7363 ND2 :: 113.0860 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 180.9886 CA :: 63.6729 CB :: 33.2197 CG1 :: 21.7615 CG2 :: 20.1366 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 :: 7.6299 HA :: 4.0643 HB :: 2.1092 HG11 :: 0.8830 HG12 :: 0.8830 HG13 :: 0.8830 HG21 :: 0.9102 HG22 :: 0.9102 HG23 :: 0.9102 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 :: 123.6048 Ave N Shift Values>> N :: 121.14(4.54) 1.P91 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 88 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 81 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 11 Shift Relative Order (SRO) Results: #Consistent: 92 #Suspicious: 0 C Shift Results: #Consistent: 365 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 583 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 75 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.P52 HB3 = 0.3430(S), Expected = 2.00, Std = 0.3600, ChiSquare = 4.1689e-06 1.G63 N = 127.7250(S), Expected = 109.67, Std = 3.8700, ChiSquare = 3.0806e-06 1.K65 HD3 = 0.8570(S), Expected = 1.60, Std = 0.2200, ChiSquare = 7.3208e-04 1.K65 HE2 = 2.0430(S), Expected = 2.92, Std = 0.1900, ChiSquare = 3.9160e-06 1.K65 HE3 = 2.0430(S), Expected = 2.91, Std = 0.2000, ChiSquare = 1.4576e-05 1.D73 HB3 = 1.6600(S), Expected = 2.66, Std = 0.2800, ChiSquare = 3.5504e-04