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.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.4790 CA :: 62.1820 CB :: 70.0240 CG2 :: 21.6580 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>> HA :: 4.4300 HB :: 4.2220 HG21 :: 1.2570 HG22 :: 1.2570 HG23 :: 1.2570 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) 1.R3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 G 0.07 K 0.04 C Shift Assignments>> C :: 176.3750 CA :: 56.2350 CB :: 30.9160 CG :: 27.1510 CD :: 43.4880 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 :: 8.5250 HA :: 4.4090 HB2 :: 1.8640 HB3 :: 1.8640 HG2 :: 1.6820 HG3 :: 1.6820 HD2 :: 3.2440 HD3 :: 3.2440 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.3480 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.R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 G 0.08 K 0.04 HN Overlap>> 1.R5 1.R5 C Shift Assignments>> C :: 176.7200 CA :: 56.2350 CB :: 30.9030 CG :: 27.1510 CD :: 43.4880 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 :: 8.5030 HA :: 4.4090 HB2 :: 1.8640 HB3 :: 1.8640 HG2 :: 1.6820 HG3 :: 1.6820 HD2 :: 3.2440 HD3 :: 3.2440 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 :: 123.4260 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.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.38 G 0.07 K 0.05 HN Overlap>> 1.R4 1.R4 C Shift Assignments>> C :: 176.2670 CA :: 56.2540 CB :: 31.0440 CG :: 27.1810 CD :: 43.4460 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 :: 8.5030 HA :: 4.3910 HB2 :: 1.9160 HB3 :: 1.9160 HG2 :: 1.7000 HG3 :: 1.7000 HD2 :: 3.2540 HD3 :: 3.2540 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 :: 123.4200 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.G6 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 0.02 F 0.01 C Shift Assignments>> C :: 173.8580 CA :: 45.1520 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4710 HA2 :: 3.9870 HA3 :: 4.0500 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.5290 Ave N Shift Values>> N :: 109.67(3.87) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 G 0.08 K 0.04 C Shift Assignments>> C :: 176.3000 CA :: 56.1200 CB :: 31.1170 CG :: 27.0820 CD :: 43.5060 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 :: 8.2960 HA :: 4.3860 HB2 :: 1.8710 HB3 :: 1.8710 HG2 :: 1.6580 HG3 :: 1.6580 HD2 :: 3.2370 HD3 :: 3.2370 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.7520 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.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.5 C 0.37 E 0.11 C Shift Assignments>> C :: 175.6100 CA :: 55.7190 CB :: 29.5680 CG :: 33.8190 CD :: 180.4110 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 :: 8.5600 HA :: 4.4100 HB2 :: 2.1110 HB3 :: 2.0540 HG2 :: 2.3200 HG3 :: 2.3200 HE21 :: 7.5180 HE22 :: 6.8520 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.4990 NE2 :: 112.9280 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.3980 CA :: 62.0450 CB :: 70.1300 CG2 :: 21.4730 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 :: 8.1710 HA :: 4.2770 HB :: 4.0650 HG21 :: 1.0530 HG22 :: 1.0530 HG23 :: 1.0530 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 :: 117.2700 Ave N Shift Values>> N :: 115.42(4.75) 1.Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 176.8830 CA :: 56.7390 CB :: 40.2160 CD1 :: 133.0310 CD2 :: 133.0310 CE1 :: 117.5890 CE2 :: 117.5890 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 :: 8.1800 HA :: 4.9790 HB2 :: 3.1260 HB3 :: 2.7630 HD1 :: 7.0590 HD2 :: 7.0590 HE1 :: 6.7610 HE2 :: 6.7610 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 :: 120.7490 Ave N Shift Values>> N :: 120.52(4.2) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 175.6820 CA :: 61.0360 CB :: 71.2080 CG2 :: 21.8410 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 :: 9.2100 HA :: 4.8760 HB :: 4.4950 HG21 :: 1.4030 HG22 :: 1.4030 HG23 :: 1.4030 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 :: 114.4640 Ave N Shift Values>> N :: 115.42(4.75) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.4 G 0.08 K 0.02 C Shift Assignments>> C :: 178.0120 CA :: 59.8720 CB :: 29.5650 CG :: 27.2100 CD :: 43.4120 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 :: 9.0900 HA :: 4.1420 HB2 :: 1.9970 HB3 :: 1.9970 HG2 :: 1.7860 HG3 :: 1.7240 HD2 :: 3.3150 HD3 :: 3.3150 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 :: 123.2290 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.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 177.0010 CA :: 61.4700 CB :: 38.7530 CD1 :: 132.5360 CD2 :: 132.5360 CE1 :: 118.0250 CE2 :: 118.0250 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 :: 8.4000 HA :: 4.2020 HB2 :: 3.3000 HB3 :: 2.8330 HD1 :: 7.1210 HD2 :: 7.1210 HE1 :: 6.8000 HE2 :: 6.8000 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 :: 118.2860 Ave N Shift Values>> N :: 120.52(4.2) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 Q 0.28 E 0.05 C Shift Assignments>> C :: 177.0820 CA :: 59.3700 CB :: 27.8590 CG :: 34.8460 CD :: 178.4250 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 :: 7.7190 HA :: 3.5530 HB2 :: 2.6430 HB3 :: 1.6100 HG2 :: 2.7520 HG3 :: 2.4500 HE21 :: 7.7460 HE22 :: 6.7880 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.8690 NE2 :: 110.9100 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T15 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 :: 175.4600 CA :: 67.5110 CB :: 68.4660 CG2 :: 22.2380 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 :: 8.5290 HA :: 4.3330 HB :: 3.3610 HG21 :: 1.3410 HG22 :: 1.3410 HG23 :: 1.3410 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 :: 113.4150 Ave N Shift Values>> N :: 115.42(4.75) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.42 R 0.03 HN Overlap>> 1.A39 1.A39 C Shift Assignments>> C :: 180.5810 CA :: 58.3280 CB :: 41.8210 CG :: 27.0890 CD1 :: 25.2030 CD2 :: 23.5100 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 :: 8.2330 HA :: 3.9960 HB2 :: 1.9160 HB3 :: 1.5390 HG :: 1.7940 HD11 :: 0.9220 HD12 :: 0.9220 HD13 :: 0.9220 HD21 :: 0.9220 HD22 :: 0.9220 HD23 :: 0.9220 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.0960 Ave N Shift Values>> N :: 121.86(3.9) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.36 Q 0.06 K 0.06 M 0.06 I 0.06 C Shift Assignments>> C :: 179.8670 CA :: 58.7070 CB :: 30.2290 CG :: 35.8780 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 :: 7.7010 HA :: 3.8980 HB2 :: 1.7090 HB3 :: 1.8950 HG2 :: 1.8080 HG3 :: 1.7310 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 :: 118.6440 Ave N Shift Values>> N :: 120.67(3.48) 1.L18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.88 L 0.11 C Shift Assignments>> C :: 177.6580 CA :: 58.6520 CB :: 37.7660 CG :: 26.0600 CD1 :: 23.2000 CD2 :: 23.1230 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 :: 8.2250 HA :: 3.5690 HB2 :: 0.5010 HB3 :: -1.1150(S) HG :: 1.1350 HD11 :: 0.4530 HD12 :: 0.4530 HD13 :: 0.4530 HD21 :: -0.5940(S) HD22 :: -0.5940(S) HD23 :: -0.5940(S) 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 :: 123.8940 Ave N Shift Values>> N :: 121.86(3.9) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.22 K 0.17 Q 0.15 I 0.08 M 0.01 R 0.01 HN Overlap>> 1.Q52 1.Q52 C Shift Assignments>> C :: 179.7050 CA :: 59.2770 CB :: 28.9780 CG :: 35.0540 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 :: 8.2350 HA :: 4.2520 HB2 :: 2.1980 HB3 :: 2.0430 HG2 :: 2.5580 HG3 :: 2.4070 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 :: 118.9920 Ave N Shift Values>> N :: 120.67(3.48) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.45 R 0.04 HN Overlap>> 1.E35 1.E35 C Shift Assignments>> C :: 179.6840 CA :: 59.8010 CB :: 32.5810 CG :: 24.7980 CD :: 29.6550 CE :: 41.8680 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 :: 7.9430 HA :: 4.0800 HB2 :: 1.9480 HB3 :: 1.9480 HG2 :: 1.6160 HG3 :: 1.4380 HD2 :: 1.7190 HD3 :: 1.7190 HE2 :: 2.9310 HE3 :: 2.9310 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 :: 120.3760 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 0.35 E 0.31 I 0.13 K 0.1 Q 0.07 M 0.01 C Shift Assignments>> C :: 178.6310 CA :: 59.3870 CB :: 29.2980 CG :: 35.7640 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 :: 7.8690 HA :: 4.1700 HB2 :: 2.3300 HB3 :: 1.8330 HG2 :: 2.4650 HG3 :: 2.6910 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 :: 121.0960 Ave N Shift Values>> N :: 120.67(3.48) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 176.1180 CA :: 60.7930 CB :: 39.1470 CD1 :: 131.9910 CD2 :: 131.9910 CE1 :: 130.1490 CE2 :: 130.1490 CZ :: 127.4580 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 :: 9.0210 HA :: 4.6440 HB2 :: 3.1930 HB3 :: 3.1120 HD1 :: 7.0040 HD2 :: 7.0040 HE1 :: 6.9580 HE2 :: 6.9580 HZ :: 6.3600 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 :: 121.4510 Ave N Shift Values>> N :: 120.45(4.18) 1.H23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 C 0.32 H 0.29 C Shift Assignments>> C :: 176.9150 CA :: 58.8750 CB :: 29.0910 CD2 :: 119.9390 CE1 :: 136.1910 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.0340 HA :: 4.3280 HB2 :: 3.4180 HB3 :: 3.4180 HD2 :: 7.3870 HE1 :: 8.3130 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 :: 113.7610 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 174.0100 CA :: 64.9540 CB :: 69.3660 CG2 :: 22.0360 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 :: 7.6870 HA :: 4.3730 HB :: 4.1070 HG21 :: 1.2810 HG22 :: 1.2810 HG23 :: 1.2810 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 :: 114.4520 Ave N Shift Values>> N :: 115.42(4.75) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.84 C 0.15 C Shift Assignments>> C :: 173.1580 CA :: 52.9340 CB :: 40.9910 CG :: 177.3660 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 :: 8.4800 HA :: 4.7160 HB2 :: 2.9360 HB3 :: 2.9360 HD21 :: 8.1030 HD22 :: 7.3140 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 :: 119.3600 ND2 :: 116.0240 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.41 W 0.35 C 0.22 HN Overlap>> 1.M36 1.M36 C Shift Assignments>> C :: 173.1280 CA :: 54.7570 CB :: 28.9660 CD2 :: 119.3930 CE1 :: 136.7250 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.6550 HA :: 4.2740 HB2 :: 3.0290 HB3 :: 2.7300 HD2 :: 6.7370 HE1 :: 8.3930 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 :: 119.0180 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 C Shift Assignments>> C :: 174.6390 CA :: 56.7600 CB :: 40.9970 CD1 :: 133.1390 CD2 :: 133.1390 CE1 :: 117.4260 CE2 :: 117.4260 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 :: 7.9410 HA :: 4.7600 HB2 :: 2.9980 HB3 :: 2.7490 HD1 :: 7.2100 HD2 :: 7.2100 HE1 :: 6.8730 HE2 :: 6.8730 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 :: 114.7960 Ave N Shift Values>> N :: 120.52(4.2) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.36 C 0.16 R 0.03 A 0.02 C Shift Assignments>> C :: 178.5950 CA :: 53.3040 CB :: 44.3970 CG :: 26.3140 CD1 :: 23.9620 CD2 :: 26.5030 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 :: 8.3760 HA :: 4.6980 HB2 :: 1.2840 HB3 :: 1.4550 HG :: 0.6670 HD11 :: 0.5960 HD12 :: 0.5960 HD13 :: 0.5960 HD21 :: 0.2830 HD22 :: 0.2830 HD23 :: 0.2830 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.8030 Ave N Shift Values>> N :: 121.86(3.9) 1.T29 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>> C :: 175.1110 CA :: 60.4270 CB :: 70.8480 CG2 :: 22.1190 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 :: 7.7180 HA :: 4.6950 HB :: 4.4250 HG21 :: 1.3910 HG22 :: 1.3910 HG23 :: 1.3910 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 :: 112.0060 Ave N Shift Values>> N :: 115.42(4.75) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.36 G 0.1 K 0.02 C Shift Assignments>> C :: 178.0990 CA :: 60.4370 CB :: 29.3690 CG :: 27.7000 CD :: 43.3750 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 :: 8.8490 HA :: 3.8570 HB2 :: 1.9110 HB3 :: 1.9110 HG2 :: 1.6930 HG3 :: 1.6930 HD2 :: 3.2490 HD3 :: 3.2490 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 :: 122.8320 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.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.42 G 0.06 K 0.04 C Shift Assignments>> C :: 178.5170 CA :: 59.2180 CB :: 29.8950 CG :: 26.8670 CD :: 43.3180 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 :: 8.3450 HA :: 3.9630 HB2 :: 1.9330 HB3 :: 1.7170 HG2 :: 1.7020 HG3 :: 1.5780 HD2 :: 3.2230 HD3 :: 3.2230 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 :: 116.1950 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.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.16 L 0.03 G 0.02 C Shift Assignments>> C :: 177.9470 CA :: 56.9750 CB :: 29.5690 CG :: 26.8610 CD :: 42.7090 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 :: 7.7470 HA :: 4.1660 HB2 :: 1.9530 HB3 :: 1.8240 HG2 :: 1.9380 HG3 :: 1.4960 HD2 :: 3.5940 HD3 :: 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 :: 119.4160 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.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 R 0.22 G 0.18 K 0.02 C Shift Assignments>> C :: 178.0300 CA :: 60.8320 CB :: 30.4910 CG :: 28.6210 CD :: 43.7730 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 :: 8.4620 HA :: 3.7690 HB2 :: 2.0680 HB3 :: 1.8980 HG2 :: 1.6660 HG3 :: 1.5040 HD2 :: 3.5550 HD3 :: 3.3730 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.3860 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.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 178.2950 CA :: 65.5610 CB :: 38.2670 CG1 :: 29.4820 CG2 :: 17.2960 CD1 :: 13.7570 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 :: 8.0920 HA :: 3.5780 HB :: 1.9190 HG12 :: 1.7330 HG13 :: 1.0890 HG21 :: 0.8810 HG22 :: 0.8810 HG23 :: 0.8810 HD11 :: 0.8380 HD12 :: 0.8380 HD13 :: 0.8380 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.9890 Ave N Shift Values>> N :: 121.46(4.28) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.35 I 0.12 M 0.03 K 0.03 Q 0.02 HN Overlap>> 1.K20 1.K20 C Shift Assignments>> C :: 180.7450 CA :: 59.6110 CB :: 30.2320 CG :: 36.4040 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 :: 7.8940 HA :: 4.0950 HB2 :: 2.3350 HB3 :: 2.0870 HG2 :: 2.5800 HG3 :: 2.2970 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 :: 120.4030 Ave N Shift Values>> N :: 120.67(3.48) 1.M36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.43 HN Overlap>> 1.H26 1.H26 C Shift Assignments>> C :: 180.8760 CA :: 58.9140 CB :: 33.5390 CG :: 32.6380 CE :: 17.1530 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 :: 8.7160 HA :: 4.1460 HB2 :: 2.1330 HB3 :: 1.9630 HG2 :: 2.6310 HG3 :: 2.4290 HE1 :: 1.9730 HE2 :: 1.9730 HE3 :: 1.9730 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 :: 119.0010 Ave N Shift Values>> N :: 120.09(3.57) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 A 0.13 I 0.11 C 0.02 C Shift Assignments>> C :: 180.1270 CA :: 56.3920 CB :: 17.5120 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4730 HA :: 3.8600 HB1 :: 1.5120 HB2 :: 1.5120 HB3 :: 1.5120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.5970 Ave N Shift Values>> N :: 123.23(3.54) 1.H38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.33 C 0.31 C Shift Assignments>> C :: 177.8960 CA :: 58.3150 CB :: 29.1740 CD2 :: 119.3950 CE1 :: 137.1230 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 :: 7.8920 HA :: 4.5020 HB2 :: 3.3610 HB3 :: 3.3610 HD2 :: 7.3270 HE1 :: 8.3430 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 :: 114.4360 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.38 C 0.04 I 0.02 HN Overlap>> 1.L16 1.L16 C Shift Assignments>> C :: 179.7490 CA :: 55.1050 CB :: 18.9480 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2520 HA :: 4.2120 HB1 :: 1.6110 HB2 :: 1.6110 HB3 :: 1.6110 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.0880 Ave N Shift Values>> N :: 123.23(3.54) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.21 R 0.13 A 0.03 G 0.03 C Shift Assignments>> C :: 176.5550 CA :: 54.3590 CB :: 42.7320 CG :: 27.2350 CD1 :: 26.0080 CD2 :: 23.1720 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 :: 8.5020 HA :: 4.5570 HB2 :: 1.8170 HB3 :: 1.5260 HG :: 1.9620 HD11 :: 0.7390 HD12 :: 0.7390 HD13 :: 0.7390 HD21 :: 0.7640 HD22 :: 0.7640 HD23 :: 0.7640 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 113.0590 Ave N Shift Values>> N :: 121.86(3.9) 1.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.27 I 0.21 L 0.07 R 0.04 W 0.02 Q 0.01 C Shift Assignments>> C :: 173.7590 CA :: 60.4640 CB :: 24.8720 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.9630 HA :: 4.1390 HB2 :: 3.2560 HB3 :: 3.1890 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 :: 117.2580 Ave N Shift Values>> N :: 120.17(4.64) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.26 L 0.12 A 0.1 C Shift Assignments>> C :: 176.3090 CA :: 52.6040 CB :: 47.7140 CG :: 26.8530 CD1 :: 26.7710 CD2 :: 23.8360 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 :: 8.1940 HA :: 4.9690 HB2 :: 1.3540 HB3 :: 1.6790 HG :: 1.5880 HD11 :: 0.7050 HD12 :: 0.7050 HD13 :: 0.7050 HD21 :: 0.9280 HD22 :: 0.9280 HD23 :: 0.9280 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 :: 119.7040 Ave N Shift Values>> N :: 121.86(3.9) 1.T43 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>> C :: 176.3750 CA :: 60.5410 CB :: 71.0880 CG2 :: 21.9880 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 :: 8.7940 HA :: 4.8210 HB :: 4.6560 HG21 :: 1.3640 HG22 :: 1.3640 HG23 :: 1.3640 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 :: 109.2710 Ave N Shift Values>> N :: 115.42(4.75) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 I 0.44 E 0.07 C Shift Assignments>> C :: 178.5920 CA :: 61.3380 CB :: 30.0590 CG :: 38.0770 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 :: 9.1650 HA :: 3.7180 HB2 :: 2.0820 HB3 :: 2.0820 HG2 :: 2.3590 HG3 :: 2.0720 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 :: 120.4080 Ave N Shift Values>> N :: 120.67(3.48) 1.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.42 G 0.07 K 0.03 C Shift Assignments>> C :: 177.9470 CA :: 59.6070 CB :: 30.0990 CG :: 27.5500 CD :: 43.4040 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 :: 8.3150 HA :: 4.0580 HB2 :: 1.9910 HB3 :: 1.8530 HG2 :: 1.7480 HG3 :: 1.7150 HD2 :: 3.2910 HD3 :: 3.2910 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 :: 118.6520 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.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 C Shift Assignments>> C :: 180.4160 CA :: 59.4970 CB :: 29.5260 CG :: 35.6800 CD :: 175.7780 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 :: 8.0560 HA :: 4.0870 HB2 :: 2.6490 HB3 :: 2.0770 HG2 :: 2.6290 HG3 :: 2.5040 HE21 :: 7.4340 HE22 :: 6.8910 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 :: 117.5990 NE2 :: 112.0060 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 177.0130 CA :: 65.1330 CB :: 37.1980 CG1 :: 28.9270 CG2 :: 18.8390 CD1 :: 12.8910 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 :: 7.9980 HA :: 3.9280 HB :: 2.1080 HG12 :: 1.2680 HG13 :: 1.7710 HG21 :: 1.0070 HG22 :: 1.0070 HG23 :: 1.0070 HD11 :: 0.7750 HD12 :: 0.7750 HD13 :: 0.7750 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 :: 120.7830 Ave N Shift Values>> N :: 121.46(4.28) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.37 R 0.11 G 0.01 C Shift Assignments>> C :: 180.3890 CA :: 60.2330 CB :: 33.2230 CG :: 25.3240 CD :: 29.9880 CE :: 42.2100 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 :: 8.5940 HA :: 4.4310 HB2 :: 2.1730 HB3 :: 1.9490 HG2 :: 1.6800 HG3 :: 1.4700 HD2 :: 1.8570 HD3 :: 1.8570 HE2 :: 3.0190 HE3 :: 3.0190 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 :: 121.7710 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 177.5930 CA :: 64.4540 CB :: 38.1930 CG1 :: 29.2340 CG2 :: 17.3510 CD1 :: 13.0370 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 :: 8.6990 HA :: 3.8860 HB :: 1.9880 HG12 :: 1.3510 HG13 :: 1.7940 HG21 :: 1.0510 HG22 :: 1.0510 HG23 :: 1.0510 HD11 :: 0.8900 HD12 :: 0.8900 HD13 :: 0.8900 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.7000 Ave N Shift Values>> N :: 121.46(4.28) 1.W50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.61 C 0.38 C Shift Assignments>> C :: 180.1770 CA :: 63.2640 CB :: 29.2310 CD1 :: 126.5510 CE3 :: 121.1680 CZ2 :: 113.9030 CZ3 :: 120.4460 CH2 :: 123.0450 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 :: 8.1310 HA :: 3.9180 HB2 :: 3.5300 HB3 :: 3.3010 HD1 :: 6.0740 HE1 :: 9.9520 HE3 :: 6.7920 HZ2 :: 7.1960 HZ3 :: 5.6710 HH2 :: 6.4640 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 :: 122.3090 NE1 :: 128.9580 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.22 C Shift Assignments>> C :: 177.7000 CA :: 63.6070 CB :: 39.8360 CD1 :: 131.4580 CD2 :: 131.4580 CE1 :: 131.9580 CE2 :: 131.9580 CZ :: 129.1120 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 :: 8.9450 HA :: 3.8030 HB2 :: 3.5690 HB3 :: 3.3420 HD1 :: 7.7950 HD2 :: 7.7950 HE1 :: 7.6060 HE2 :: 7.6060 HZ :: 7.2520 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 :: 119.3320 Ave N Shift Values>> N :: 120.45(4.18) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 Q 0.42 E 0.04 HN Overlap>> 1.E19 1.E19 C Shift Assignments>> C :: 178.8190 CA :: 59.4890 CB :: 28.6620 CG :: 33.7770 CD :: 179.2860 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 :: 8.2290 HA :: 4.0060 HB2 :: 2.2890 HB3 :: 2.1900 HG2 :: 2.5350 HG3 :: 2.4870 HE21 :: 7.5470 HE22 :: 6.9200 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.0010 NE2 :: 111.2210 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.46 C Shift Assignments>> C :: 177.7160 CA :: 55.6560 CB :: 37.7910 CG :: 175.8440 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 :: 8.3230 HA :: 4.3290 HB2 :: 2.6430 HB3 :: 2.4520 HD21 :: 7.4170 HD22 :: 6.8800 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 :: 117.9670 ND2 :: 112.3610 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R54 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 L 0.34 K 0.17 A 0.01 C Shift Assignments>> C :: 179.4410 CA :: 56.3900 CB :: 28.3710 CG :: 23.1980(S) CD :: 40.5460 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 :: 8.1620 HA :: 3.4040 HB2 :: -0.2870(S) HB3 :: 0.6870(S) HG2 :: -0.3050(S) HG3 :: -0.5900(S) HD2 :: 2.3820 HD3 :: 1.9400(S) HE :: 9.2780 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 :: 123.1690 NE :: 88.5040 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.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 G 0.14 K 0.03 C Shift Assignments>> C :: 178.9520 CA :: 60.2000 CB :: 31.5700 CG :: 31.1580 CD :: 43.4430 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 :: 7.9420 HA :: 3.9430 HB2 :: 1.8380 HB3 :: 2.1460 HG2 :: 1.3380 HG3 :: 2.3260 HD2 :: 2.9370 HD3 :: 2.6110 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 :: 117.5800 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.M56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.48 A 0.01 C Shift Assignments>> C :: 177.5200 CA :: 57.6830 CB :: 32.2840 CG :: 32.1510 CE :: 16.9590 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.4820 HA :: 4.2890 HB2 :: 2.1780 HB3 :: 2.1780 HG2 :: 2.8340 HG3 :: 2.6840 HE1 :: 2.1160 HE2 :: 2.1160 HE3 :: 2.1160 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 :: 117.9640 Ave N Shift Values>> N :: 120.09(3.57) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.41 R 0.14 C Shift Assignments>> C :: 177.3020 CA :: 57.2630 CB :: 32.5650 CG :: 24.9030 CD :: 28.8950 CE :: 42.0690 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 :: 7.3560 HA :: 4.1350 HB2 :: 1.8270 HB3 :: 1.6610 HG2 :: 1.4220 HG3 :: 1.3310 HD2 :: 1.4990 HD3 :: 1.4990 HE2 :: 2.8540 HE3 :: 2.8540 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 :: 118.2890 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.32 R 0.05 G 0.01 C Shift Assignments>> C :: 177.5000 CA :: 56.0140 CB :: 42.2560 CG :: 27.2100 CD1 :: 25.1110 CD2 :: 23.9560 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 :: 7.4970 HA :: 4.2870 HB2 :: 1.7320 HB3 :: 1.7320 HG :: 1.7150 HD11 :: 0.9500 HD12 :: 0.9500 HD13 :: 0.9500 HD21 :: 0.8930 HD22 :: 0.8930 HD23 :: 0.8930 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 :: 119.8050 Ave N Shift Values>> N :: 121.86(3.9) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.41 R 0.11 C Shift Assignments>> C :: 176.4510 CA :: 56.7820 CB :: 33.0140 CG :: 24.8580 CD :: 29.1520 CE :: 42.1540 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 :: 7.8890 HA :: 4.2840 HB2 :: 1.8870 HB3 :: 1.8870 HG2 :: 1.5120 HG3 :: 1.5120 HD2 :: 1.7390 HD3 :: 1.7390 HE2 :: 3.0580 HE3 :: 3.0580 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 :: 119.9970 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.4 R 0.12 C Shift Assignments>> C :: 176.3750 CA :: 56.6690 CB :: 33.1090 CG :: 24.7820 CD :: 29.0470 CE :: 42.2130 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 :: 8.1180 HA :: 4.3600 HB2 :: 1.8710 HB3 :: 1.8710 HG2 :: 1.4780 HG3 :: 1.4780 HD2 :: 1.7210 HD3 :: 1.7210 HE2 :: 3.0430 HE3 :: 3.0430 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 :: 121.1330 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 M 0.1 K 0.04 Q 0.04 I 0.03 C Shift Assignments>> C :: 175.4370 CA :: 56.8590 CB :: 30.3930 CG :: 36.4240 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 :: 8.3240 HA :: 4.3740 HB2 :: 2.1230 HB3 :: 2.0020 HG2 :: 2.3590 HG3 :: 2.2840 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 :: 122.4990 Ave N Shift Values>> N :: 120.67(3.48) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 180.9710 CA :: 62.9130 CB :: 39.8080 CG1 :: 27.3270 CG2 :: 18.1020 CD1 :: 13.6770 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 :: 7.6800 HA :: 4.132 HB :: 1.8800 HG12 :: 1.4600 HG13 :: 1.1830 HG21 :: 0.9170 HG22 :: 0.9170 HG23 :: 0.9170 HD11 :: 0.8980 HD12 :: 0.8980 HD13 :: 0.8980 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 :: 125.2990 Ave N Shift Values>> N :: 121.46(4.28) ########################################################################### Overall Results: #Consistent: 60 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 60 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 62 #Suspicious: 0 C Shift Results: #Consistent: 310 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 474 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 68 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L18 HB3 = -1.1150(S), Expected = 1.52, Std = 0.3600, ChiSquare = 2.4900e-13 1.L18 HD21 = -0.5940(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.9826e-06 1.L18 HD22 = -0.5940(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.9826e-06 1.L18 HD23 = -0.5940(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.9826e-06 1.R54 Typing: Mistyped 1.R54 CG = 23.1980(S), Expected = 27.21, Std = 1.2000, ChiSquare = 8.2778e-04 1.R54 HB2 = -0.2870(S), Expected = 1.79, Std = 0.2700, ChiSquare = 1.4418e-14 1.R54 HB3 = 0.6870(S), Expected = 1.76, Std = 0.2800, ChiSquare = 1.2703e-04 1.R54 HG2 = -0.3050(S), Expected = 1.57, Std = 0.2700, ChiSquare = 3.7995e-12 1.R54 HG3 = -0.5900(S), Expected = 1.54, Std = 0.2900, ChiSquare = 2.0602e-13 1.R54 HD3 = 1.9400(S), Expected = 3.10, Std = 0.2600, ChiSquare = 8.1373e-06