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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.4620 CB :: 64.0650 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.19 C 0.17 Q 0.16 R 0.08 H 0.07 W 0.05 E 0.03 V 0.02 C Shift Assignments>> CA :: 56.5360 CB :: 33.1170 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 :: 8.4440 HA :: 4.5190 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 :: 123.5600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 M 0.19 C 0.17 Q 0.16 R 0.08 H 0.07 W 0.05 E 0.03 V 0.02 C Shift Assignments>> CA :: 56.6170 CB :: 33.0800 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 :: 8.5160 HA :: 4.3630 HB2 :: 1.7630 HB3 :: 1.8260 HG2 :: 1.4470 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 :: 123.8880 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 W 0.13 K 0.13 Q 0.12 R 0.11 E 0.1 H 0.09 I 0.09 L 0.03 M 0.01 C Shift Assignments>> CA :: 58.3500 CB :: 28.2300 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.4640 HA :: 4.5050 HB2 :: 2.9540 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 :: 120.5450 Ave N Shift Values>> N :: 120.17(4.64) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 F 0.1 N 0.1 K 0.09 Y 0.08 C 0.06 C Shift Assignments>> CA :: 54.5560 CB :: 40.9820 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 :: 8.4620 HA :: 4.5340 HB2 :: 2.7500 HB3 :: 2.6610 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 :: 122.7770 Ave N Shift Values>> N :: 120.65(3.86) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.12 F 0.1 N 0.08 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> CA :: 54.5560 CB :: 41.2650 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 :: 8.1750 HA :: 4.6270 HB2 :: 2.7090 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 :: 120.2510 Ave N Shift Values>> N :: 120.65(3.86) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.31 L 0.2 N 0.12 F 0.11 Y 0.08 K 0.07 C 0.06 C Shift Assignments>> CA :: 54.5440 CB :: 40.8620 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>> HB2 :: 2.7330 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.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.4150 CB :: 63.8150 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3060 HA :: 4.3690 HB2 :: 3.9240 HB3 :: 3.8750 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 :: 116.1130 Ave N Shift Values>> N :: 116.28(3.52) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 K 0.07 M 0.07 Q 0.06 I 0.04 C Shift Assignments>> CA :: 57.1030 CB :: 30.0200 CG :: 36.2400 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 :: 8.4520 HA :: 4.3480 HB2 :: 2.0280 HB3 :: 2.1360 HG2 :: 2.2940 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 :: 122.4790 Ave N Shift Values>> N :: 120.67(3.48) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 62.5850 CB :: 69.7140 CG2 :: 21.6800 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 :: 8.1070 HA :: 4.2800 HB :: 4.2500 HG21 :: 1.2040 HG22 :: 1.2040 HG23 :: 1.2040 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 :: 114.0750 Ave N Shift Values>> N :: 115.42(4.75) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.1270 CB :: 63.5020 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2810 HA :: 4.3910 HB2 :: 3.8330 HB3 :: 3.8150 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.7200 Ave N Shift Values>> N :: 116.28(3.52) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.18 C 0.1 Y 0.09 F 0.09 L 0.05 C Shift Assignments>> CA :: 53.7250 CB :: 38.8650 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 :: 8.3640 HA :: 4.6850 HB2 :: 2.7690 HD21 :: 7.5620 HD22 :: 6.8920 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 :: 120.8490 ND2 :: 112.4500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> CA :: 58.2500 CB :: 29.4420 CD1 :: 127.0300 CE3 :: 120.9200 CZ2 :: 114.7700 CZ3 :: 122.0200 CH2 :: 124.7400 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 :: 8.0710 HA :: 4.6000 HB2 :: 3.3120 HD1 :: 7.2500 HE1 :: 10.1740 HE3 :: 7.6240 HZ2 :: 7.4800 HZ3 :: 7.1090 HH2 :: 7.2200 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 :: 121.7160 NE1 :: 129.8760 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> CA :: 61.6740 CB :: 38.8050 CG1 :: 27.6700 CG2 :: 17.2900 CD1 :: 12.9600 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 :: 7.9200 HA :: 3.9660 HB :: 1.7630 HG12 :: 1.4220 HG13 :: 1.0770 HG21 :: 0.8530 HG22 :: 0.8530 HG23 :: 0.8530 HD11 :: 0.8480 HD12 :: 0.8480 HD13 :: 0.8480 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 :: 122.8870 Ave N Shift Values>> N :: 121.46(4.28) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.14 C 0.01 C Shift Assignments>> CA :: 53.0570 CB :: 19.0870 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0990 HA :: 4.1840 HB1 :: 1.4350 HB2 :: 1.4350 HB3 :: 1.4350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.9130 Ave N Shift Values>> N :: 123.23(3.54) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.02 C Shift Assignments>> CA :: 52.8920 CB :: 19.4230 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1190 HA :: 4.3640 HB1 :: 1.4520 HB2 :: 1.4520 HB3 :: 1.4520 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.0810 Ave N Shift Values>> N :: 123.23(3.54) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.23 F 0.08 C 0.08 Y 0.07 L 0.07 C Shift Assignments>> CA :: 53.4230 CB :: 39.2990 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 :: 8.4250 HA :: 5.0080 HB2 :: 2.9630 HB3 :: 2.6900 HD21 :: 7.4970 HD22 :: 6.8650 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 :: 117.3970 ND2 :: 112.9020 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> CA :: 61.3100 CB :: 71.8250 CG2 :: 21.9000 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 :: 7.8000 HA :: 5.3870 HB :: 4.1590 HG21 :: 1.2040 HG22 :: 1.2040 HG23 :: 1.2040 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 :: 111.7610 Ave N Shift Values>> N :: 115.42(4.75) 1.K20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.49 C 0.43 K 0.05 G 0.01 HN Overlap>> 1.C50 1.C50 C Shift Assignments>> CA :: 55.5510 CB :: 37.0980 CG :: 26.7700 CD :: 29.7300 CE :: 42.1400 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 :: 8.7640 HA :: 4.5420 HB2 :: 1.6250 HB3 :: 1.1170 HG2 :: 0.7500 HG3 :: 1.0000 HD2 :: 0.1820(S) HD3 :: 1.0590 HE2 :: 2.3400 HE3 :: 1.8700(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 :: 122.4310 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.31 E 0.26 Q 0.02 C Shift Assignments>> CA :: 54.6050 CB :: 32.0340 CG :: 36.3100 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 :: 7.8400 HA :: 4.6260 HB2 :: 1.6740 HB3 :: 1.5490 HG2 :: 2.1150 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 :: 118.4500 Ave N Shift Values>> N :: 120.67(3.48) 1.C22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.14 C 0.13 M 0.12 W 0.12 E 0.11 K 0.09 Q 0.09 C Shift Assignments>> CA :: 56.2150 CB :: 31.0720 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.4420 HA :: 3.8610 HB2 :: 3.0300 HB3 :: 3.1000 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 :: 124.8140 Ave N Shift Values>> N :: 120.17(4.64) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.28 C Shift Assignments>> CA :: 63.4820 CB :: 32.3650 CG :: 26.6300 CD :: 49.0900 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 :: 4.1330 HB2 :: 2.0970 HB3 :: 1.8660 HG2 :: 1.6640 HG3 :: 1.3930 HD2 :: 2.6830 HD3 :: 2.4070 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.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.4 R 0.15 C Shift Assignments>> CA :: 56.9900 CB :: 33.2470 CG :: 24.8200 CD :: 28.2300 CE :: 41.9600 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 :: 9.0970 HA :: 4.3390 HB2 :: 1.7700 HB3 :: 1.6825 HG2 :: 1.3850 HG3 :: 1.2000 HD2 :: 1.5790 HD3 :: 1.6790 HE2 :: 2.9600 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 :: 121.8020 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.14 R 0.11 K 0.1 E 0.1 H 0.09 V 0.09 M 0.07 Q 0.04 I 0.01 C Shift Assignments>> CA :: 59.1860 CB :: 31.5330 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.5790 HA :: 4.8430 HB2 :: 3.0630 HB3 :: 2.7000 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 :: 119.8020 Ave N Shift Values>> N :: 120.17(4.64) 1.H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 W 0.3 H 0.21 C Shift Assignments>> CA :: 57.5800 CB :: 25.8610 CD2 :: 119.5700 CE1 :: 135.7500 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 :: 7.6770 HA :: 4.4550 HB2 :: 3.4480 HD2 :: 7.0200 HE1 :: 8.4000 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 :: 116.2720 ND1 :: 180.4650 NE2 :: 217.2870 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> CA :: 63.7200 CB :: 32.0610 CG1 :: 21.6800 CG2 :: 23.2300 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 :: 8.4190 HA :: 4.2620 HB :: 2.2730 HG11 :: 1.1300 HG12 :: 1.1300 HG13 :: 1.1300 HG21 :: 1.1240 HG22 :: 1.1240 HG23 :: 1.1240 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 :: 121.8070 Ave N Shift Values>> N :: 121.14(4.54) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 HN Overlap>> 1.D73 1.D73 C Shift Assignments>> CA :: 64.1840 CB :: 69.9140 CG2 :: 22.4800 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 :: 8.3510 HA :: 4.4980 HB :: 4.0970 HG21 :: 1.3020 HG22 :: 1.3020 HG23 :: 1.3020 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 :: 121.0100 Ave N Shift Values>> N :: 115.42(4.75) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.43 C Shift Assignments>> CA :: 59.7640 CB :: 41.5280 CG1 :: 28.5800 CG2 :: 17.0200 CD1 :: 15.0100 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 :: 9.1220 HA :: 4.6400 HB :: 2.1210 HG12 :: 1.7130 HG13 :: 1.3560 HG21 :: 1.0910 HG22 :: 1.0910 HG23 :: 1.0910 HD11 :: 1.1400 HD12 :: 1.1400 HD13 :: 1.1400 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 :: 125.1340 Ave N Shift Values>> N :: 121.46(4.28) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.31 E 0.26 Q 0.02 C Shift Assignments>> CA :: 54.4440 CB :: 32.0400 CG :: 36.4200 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 :: 8.1820 HA :: 5.0180 HB2 :: 1.9610 HB3 :: 1.8650 HG2 :: 2.2310 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 :: 124.8560 Ave N Shift Values>> N :: 120.67(3.48) 1.K31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.41 C 0.36 R 0.2 G 0.01 HN Overlap>> 1.R41 1.R41 C Shift Assignments>> CA :: 56.5580 CB :: 32.8620 CG :: 24.5100 CD :: 28.5900 CE :: 42.3700 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 :: 7.9790 HA :: 3.6030 HB2 :: 0.0710(S) HB3 :: 1.0300 HG2 :: 0.5310 HG3 :: 0.7680 HD2 :: 0.3210(S) HD3 :: 0.4920(S) HE2 :: 2.4300 HE3 :: 2.3460 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 :: 125.1460 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.23 N 0.12 K 0.1 F 0.06 C 0.05 Y 0.04 R 0.02 C Shift Assignments>> CA :: 53.2400 CB :: 41.4390 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 :: 8.2780 HA :: 4.6570 HB2 :: 2.6200 HB3 :: 2.5330 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 :: 126.8810 Ave N Shift Values>> N :: 120.65(3.86) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.2110 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0470 HA2 :: 3.9170 HA3 :: 3.8870 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.7050 Ave N Shift Values>> N :: 109.67(3.87) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.5610 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3820 HA2 :: 3.9240 HA3 :: 3.7940 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.3600 Ave N Shift Values>> N :: 109.67(3.87) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.4400 CB :: 64.2500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8480 HA :: 4.4200 HB2 :: 3.6150 HB3 :: 3.9240 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 :: 114.4050 Ave N Shift Values>> N :: 116.28(3.52) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 D 0.25 F 0.12 Y 0.11 L 0.09 C 0.09 C Shift Assignments>> CA :: 54.2700 CB :: 39.4870 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 :: 8.8760 HA :: 4.7910 HB2 :: 3.1200 HB3 :: 3.5870 HD21 :: 7.8270 HD22 :: 7.0410 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 :: 119.7790 ND2 :: 112.6600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.42 C 0.38 H 0.19 C Shift Assignments>> CA :: 53.9460 CB :: 26.9600 CD2 :: 114.9000 CE1 :: 136.1900 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 :: 7.9850 HA :: 3.3450 HB2 :: 2.4740 HB3 :: 1.0550(S) HD2 :: 5.8600 HE1 :: 8.1500 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 :: 120.3360 ND1 :: 185.2070 NE2 :: 217.4540 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.4 A 0.37 C 0.22 C Shift Assignments>> CA :: 52.4480 CB :: 30.4490 CG :: 31.8500 CE :: 16.4900 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 :: 8.7360 HA :: 4.4860 HB2 :: 1.0430 HB3 :: 0.4200(S) HG2 :: 2.4480 HG3 :: 2.2570 HE1 :: 1.8620 HE2 :: 1.8620 HE3 :: 1.8620 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 :: 129.0380 Ave N Shift Values>> N :: 120.09(3.57) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> CA :: 60.9180 CB :: 33.5230 CG1 :: 20.4500 CG2 :: 20.3700 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 :: 7.7240 HA :: 4.4060 HB :: 1.6590 HG11 :: 0.7310 HG12 :: 0.7310 HG13 :: 0.7310 HG21 :: 0.4570 HG22 :: 0.4570 HG23 :: 0.4570 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 :: 120.8030 Ave N Shift Values>> N :: 121.14(4.54) 1.C40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.3 P 0.23 C 0.22 W 0.08 I 0.03 R 0.03 E 0.02 K 0.02 H 0.02 M 0.01 C Shift Assignments>> CA :: 61.8700 CB :: 31.4570 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.3360 HA :: 4.0610 HB2 :: 3.1040 HB3 :: 3.4280 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 :: 130.4860 Ave N Shift Values>> N :: 120.17(4.64) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.39 G 0.08 K 0.03 HN Overlap>> 1.K31 1.K31 C Shift Assignments>> CA :: 56.6450 CB :: 30.2640 CG :: 27.2900 CD :: 43.5000 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 :: 7.9120 HA :: 4.2330 HB2 :: 1.9320 HB3 :: 2.0520 HG2 :: 1.7680 HG3 :: 2.2290 HD2 :: 3.3010 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 :: 125.0720 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.N42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.56 C 0.11 D 0.1 Y 0.07 F 0.06 L 0.02 E 0.01 M 0.01 C Shift Assignments>> CA :: 53.1600 CB :: 38.1280 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 :: 9.4680 HA :: 4.7600 HB2 :: 4.1050(S) HB3 :: 2.7660 HD21 :: 8.5270 HD22 :: 7.4120 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 :: 124.3710 ND2 :: 114.2200 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.26 K 0.24 R 0.08 E 0.05 I 0.01 M 0.01 C Shift Assignments>> CA :: 58.1090 CB :: 28.1700 CG :: 33.8600 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 :: 9.4280 HA :: 3.9820 HB2 :: 2.2240 HB3 :: 2.1000 HG2 :: 2.4900 HE21 :: 7.4630 HE22 :: 7.0530 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 :: 129.3680 NE2 :: 113.2200 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.17 C 0.09 Y 0.08 F 0.08 L 0.05 C Shift Assignments>> CA :: 53.4790 CB :: 38.8130 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 :: 7.9770 HA :: 4.7660 HB2 :: 2.9560 HB3 :: 2.6540 HD21 :: 7.6970 HD22 :: 7.0300 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 :: 115.0990 ND2 :: 113.7200 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.31 C 0.27 P 0.08 W 0.07 K 0.07 R 0.04 M 0.03 H 0.03 E 0.02 Q 0.02 C Shift Assignments>> CA :: 60.8800 CB :: 32.5640 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.1340 HA :: 4.3630 HB2 :: 3.1670 HB3 :: 2.4790 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 :: 124.0970 Ave N Shift Values>> N :: 120.17(4.64) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.36 R 0.1 C Shift Assignments>> CA :: 57.8740 CB :: 29.6310 CG :: 24.9800 CD :: 29.4400 CE :: 41.8300 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 :: 7.8380 HA :: 4.1750 HB2 :: 2.0050 HB3 :: 1.9010 HG2 :: 1.3180 HD2 :: 1.7240 HE2 :: 3.0660 HE3 :: 2.9680 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 :: 109.3660 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.12 C 0.05 L 0.05 V 0.01 C Shift Assignments>> CA :: 54.2500 CB :: 20.0470 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9570 HA :: 4.2130 HB1 :: 1.5380 HB2 :: 1.5380 HB3 :: 1.5380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.6360 Ave N Shift Values>> N :: 123.23(3.54) 1.E48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 E 0.27 M 0.2 C Shift Assignments>> CA :: 54.6540 CB :: 31.6400 CG :: 37.4200 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 :: 8.4370 HA :: 5.7130(S) HB2 :: 2.2500 HB3 :: 2.0000 HG2 :: 2.3200 HG3 :: 2.6390 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 :: 117.2140 Ave N Shift Values>> N :: 120.67(3.48) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 F 0.32 C 0.16 C Shift Assignments>> CA :: 55.3730 CB :: 41.6790 CD2 :: 133.2500 CE2 :: 131.0500 CZ :: 128.7600 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 :: 8.6890 HA :: 5.5860 HB2 :: 2.8500 HB3 :: 2.8790 HD2 :: 6.9080 HE2 :: 7.1300 HZ :: 6.9500 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 :: 122.0600 Ave N Shift Values>> N :: 120.45(4.18) 1.C50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.21 M 0.19 K 0.19 C 0.18 R 0.05 H 0.05 W 0.04 V 0.02 E 0.02 HN Overlap>> 1.K20 1.K20 C Shift Assignments>> CA :: 56.7710 CB :: 33.6200 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.6860 HA :: 5.2320 HB2 :: 3.3840 HB3 :: 2.0520 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 :: 122.4200 Ave N Shift Values>> N :: 120.17(4.64) 1.W51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 W 0.44 C Shift Assignments>> CA :: 60.4760 CB :: 31.9340 CD1 :: 126.8200 CE3 :: 120.7000 CZ2 :: 115.0200 CZ3 :: 121.6900 CH2 :: 125.6200 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 :: 9.8410 HA :: 4.2460 HB2 :: 3.6810 HB3 :: 3.1550 HD1 :: 7.0650 HE1 :: 10.2310 HE3 :: 7.4500 HZ2 :: 7.4980 HZ3 :: 6.9400 HH2 :: 7.2300 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 :: 130.4880 NE1 :: 128.8970 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> CA :: 66.3150 CB :: 32.8900 CG1 :: 21.5100 CG2 :: 22.6200 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 :: 8.9790 HA :: 3.4800 HB :: 2.1630 HG11 :: 0.9530 HG12 :: 0.9530 HG13 :: 0.9530 HG21 :: 1.2040 HG22 :: 1.2040 HG23 :: 1.2040 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 :: 117.2530 Ave N Shift Values>> N :: 121.14(4.54) 1.C53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.14 R 0.11 M 0.11 W 0.11 H 0.09 E 0.08 V 0.07 Q 0.04 C Shift Assignments>> CA :: 58.4590 CB :: 32.0600 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.1360 HA :: 4.8730 HB2 :: 3.3950 HB3 :: 3.1290 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 :: 116.1390 Ave N Shift Values>> N :: 120.17(4.64) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 L 0.34 C Shift Assignments>> CA :: 57.1960 CB :: 39.0380 CG :: 27.1000 CD1 :: 23.1300 CD2 :: 25.7200 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 :: 8.4240 HA :: 4.4670 HB2 :: 2.1650 HB3 :: 1.5450 HG :: 1.4180 HD11 :: 0.7940 HD12 :: 0.7940 HD13 :: 0.7940 HD21 :: 0.8170 HD22 :: 0.8170 HD23 :: 0.8170 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 :: 120.4320 Ave N Shift Values>> N :: 121.86(3.9) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.29 G 0.1 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> CA :: 43.5620 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.3320 HA2 :: 4.5670 HA3 :: 4.0240 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.7810 Ave N Shift Values>> N :: 109.67(3.87) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.3 C Shift Assignments>> CA :: 62.7270 CB :: 31.9200 CG :: 27.6800 CD :: 49.5800 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 :: 4.7200 HB2 :: 1.8680 HB3 :: 2.5230 HG2 :: 2.0100 HG3 :: 2.1150 HD2 :: 3.7080 HD3 :: 3.7710 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.W57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> CA :: 59.7520 CB :: 30.0600 CD1 :: 126.1090 CE3 :: 120.9400 CZ2 :: 115.0200 CZ3 :: 122.1800 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 :: 8.1430 HA :: 4.1570 HB2 :: 2.7110 HB3 :: 3.0050 HD1 :: 6.7930 HE1 :: 9.6850 HE3 :: 7.1400 HZ2 :: 7.4700 HZ3 :: 7.1080 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 :: 122.7080 NE1 :: 129.3010 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.33 E 0.04 C Shift Assignments>> CA :: 62.3600 CB :: 27.6400 CG :: 36.3000 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 :: 9.0780 HA :: 3.8800 HB2 :: 2.0470 HB3 :: 2.1740 HG2 :: 2.2800 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 :: 118.6430 Ave N Shift Values>> N :: 120.67(3.48) 1.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.18 C Shift Assignments>> CA :: 65.1260 CB :: 30.9980 CG :: 27.7100 CD :: 49.2700 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 :: 4.1810 HB2 :: 1.9640 HB3 :: 1.0000 HG2 :: 1.7800 HG3 :: 1.4180 HD2 :: 3.5130 HD3 :: 3.3000 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.H60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 W 0.39 H 0.04 C Shift Assignments>> CA :: 58.8140 CB :: 26.0320 CD2 :: 127.4000 CE1 :: 139.0700 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 :: 7.9910 HA :: 3.6300 HB2 :: 2.2400 HB3 :: 1.4580(S) HD1 :: 10.5000 HD2 :: 6.9300 HE1 :: 7.2660 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 :: 114.4420 ND1 :: 212.0060 NE2 :: 213.9090 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G61 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>> CA :: 45.6990 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8700 HA2 :: 3.7920 HA3 :: 3.8600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.1580 Ave N Shift Values>> N :: 109.67(3.87) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.7590 CB :: 63.7800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5940 HA :: 4.2860 HB2 :: 3.4680 HB3 :: 3.5870 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 :: 116.6500 Ave N Shift Values>> N :: 116.28(3.52) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.25 C 0.01 C Shift Assignments>> CA :: 53.2820 CB :: 18.2980 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3660 HA :: 4.2340 HB1 :: 1.3180 HB2 :: 1.3180 HB3 :: 1.3180 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.6120 Ave N Shift Values>> N :: 123.23(3.54) 1.W64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.43 C Shift Assignments>> CA :: 56.6540 CB :: 29.1160 CD1 :: 127.0300 CE3 :: 120.8050 CZ2 :: 114.6000 CZ3 :: 121.4400 CH2 :: 124.5120 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 :: 7.3650 HA :: 4.6040 HB2 :: 3.1720 HD1 :: 7.2500 HE1 :: 10.2760 HE3 :: 7.4900 HZ2 :: 7.2300 HZ3 :: 6.7100 HH2 :: 7.1630 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 :: 114.7480 NE1 :: 130.3190 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> CA :: 58.6000 CB :: 39.3400 CD1 :: 132.7800 CE1 :: 117.7200 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.3200 HA :: 4.2550 HB2 :: 2.3050 HB3 :: 2.6390 HD1 :: 6.6900 HE1 :: 6.4320 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 :: 120.5900 Ave N Shift Values>> N :: 120.52(4.2) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.27 L 0.08 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> CA :: 52.8000 CB :: 39.7000 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 :: 7.6250 HA :: 4.6940 HB2 :: 2.6450 HB3 :: 2.5370 HD21 :: 6.8730 HD22 :: 7.5120 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 :: 123.0780 ND2 :: 112.4010 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.17 I 0.13 E 0.1 R 0.07 H 0.07 K 0.07 Q 0.05 V 0.05 M 0.01 C Shift Assignments>> CA :: 60.4000 CB :: 29.7000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.0540 HA :: 4.2930 HB2 :: 2.9430 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 :: 124.8060 Ave N Shift Values>> N :: 120.17(4.64) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.23 C 0.07 F 0.07 L 0.07 Y 0.06 C Shift Assignments>> CA :: 53.1000 CB :: 39.3000 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 :: 8.3520 HA :: 4.7930 HB2 :: 2.7930 HD21 :: 7.5110 HD22 :: 6.8390 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 :: 123.8110 ND2 :: 111.6250 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 K 0.06 G 0.05 HN Overlap>> 1.D73 1.D73 C Shift Assignments>> CA :: 56.4400 CB :: 30.6500 CG :: 26.9100 CD :: 43.1900 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 :: 8.2710 HA :: 4.2480 HB2 :: 1.7960 HB3 :: 1.6660 HG2 :: 1.4810 HD2 :: 3.0700 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 :: 121.0910 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.Y70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> CA :: 58.2000 CB :: 38.7000 CD1 :: 133.3000 CE1 :: 118.1800 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 :: 8.0440 HA :: 4.5520 HB2 :: 3.0890 HB3 :: 2.9960 HD1 :: 7.1210 HE1 :: 6.8290 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 :: 120.9240 Ave N Shift Values>> N :: 120.52(4.2) 1.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.22 C 0.08 F 0.07 Y 0.07 L 0.06 C Shift Assignments>> CA :: 53.2000 CB :: 39.2000 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 :: 8.1930 HA :: 4.6870 HB2 :: 2.7820 HB3 :: 2.6660 HD21 :: 6.8620 HD22 :: 7.5890 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 :: 120.9390 ND2 :: 112.7000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 E 0.14 W 0.14 C 0.12 Q 0.12 M 0.07 K 0.07 C Shift Assignments>> CA :: 56.7000 CB :: 30.3000 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 :: 8.2500 HB2 :: 2.1090 HB3 :: 1.9280 HG2 :: 2.2700 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 :: 121.2610 Ave N Shift Values>> N :: 120.67(3.48) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.11 F 0.09 N 0.09 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.T28 1.R69 1.T28 1.R69 C Shift Assignments>> CA :: 54.4000 CB :: 41.2000 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 :: 8.3160 HA :: 4.2620 HB2 :: 2.5820 HB3 :: 2.7600 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.0560 Ave N Shift Values>> N :: 120.65(3.86) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.22 D 0.14 R 0.11 F 0.11 Y 0.07 C 0.05 N 0.01 C Shift Assignments>> CA :: 56.1000 CB :: 42.1000 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 :: 7.8660 HA :: 4.6740 HB2 :: 2.6660 HB3 :: 2.5950 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 :: 126.0410 Ave N Shift Values>> N :: 120.65(3.86) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 67 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 73 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 74 #Suspicious: 0 C Shift Results: #Consistent: 222 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 410 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 87 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K20 HD2 = 0.1820(S), Expected = 1.61, Std = 0.2200, ChiSquare = 8.5320e-11 1.K20 HE3 = 1.8700(S), Expected = 2.91, Std = 0.2000, ChiSquare = 1.9929e-07 1.K31 HB2 = 0.0710(S), Expected = 1.78, Std = 0.2500, ChiSquare = 8.1435e-12 1.K31 HD2 = 0.3210(S), Expected = 1.61, Std = 0.2200, ChiSquare = 4.6541e-09 1.K31 HD3 = 0.4920(S), Expected = 1.60, Std = 0.2200, ChiSquare = 4.7446e-07 1.H37 HB3 = 1.0550(S), Expected = 3.04, Std = 0.3800, ChiSquare = 1.7540e-07 1.M38 HB3 = 0.4200(S), Expected = 1.99, Std = 0.3400, ChiSquare = 3.8812e-06 1.N42 HB2 = 4.1050(S), Expected = 2.81, Std = 0.3100, ChiSquare = 2.9484e-05 1.E48 HA = 5.7130(S), Expected = 4.25, Std = 0.4100, ChiSquare = 3.5931e-04 1.H60 HB3 = 1.4580(S), Expected = 3.04, Std = 0.3800, ChiSquare = 3.1388e-05