Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.36 L 0.31 G 0.15 D 0.05 F 0.05 Y 0.02 K 0.01 C Shift Assignments>> CA :: 43.7330 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.9170 HA3 :: 3.9170 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.89 M 0.08 L 0.01 C Shift Assignments>> C :: 177.7300 CA :: 52.9450 CB :: 19.7700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4800 HA :: 4.4000 HB1 :: 1.4560 HB2 :: 1.4560 HB3 :: 1.4560 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 A 0.22 HN Overlap>> 1.L32 1.L32 C Shift Assignments>> C :: 175.8780 CA :: 55.6760 CB :: 33.4500 CG :: 32.3300 CE :: 17.3600 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 :: 8.4680 HA :: 4.5200 HB2 :: 2.1000 HB3 :: 2.0400 HG2 :: 2.6200 HG3 :: 2.6800 HE1 :: 2.1900 HE2 :: 2.1900 HE3 :: 2.1900 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 :: 119.6190 Ave N Shift Values>> N :: 120.09(3.57) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 L 0.01 C Shift Assignments>> C :: 177.2030 CA :: 52.8100 CB :: 19.5220 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4320 HA :: 4.1670 HB1 :: 1.5780 HB2 :: 1.5780 HB3 :: 1.5780 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.7370 Ave N Shift Values>> N :: 123.23(3.54) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.2370 CA :: 61.4000 CB :: 39.4600 CG1 :: 27.7400 CG2 :: 17.9800 CD1 :: 13.6000 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 :: 8.0490 HA :: 4.2000 HB :: 1.8560 HG12 :: 1.2320 HG13 :: 1.5250 HG21 :: 0.9300 HG22 :: 0.9300 HG23 :: 0.9300 HD11 :: 0.9300 HD12 :: 0.9300 HD13 :: 0.9300 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 :: 119.9820 Ave N Shift Values>> N :: 121.46(4.28) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.04 L 0.02 C Shift Assignments>> C :: 176.6930 CA :: 52.0910 CB :: 20.0600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2860 HA :: 4.5100 HB1 :: 1.4100 HB2 :: 1.4100 HB3 :: 1.4100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.4630 Ave N Shift Values>> N :: 123.23(3.54) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 G 0.35 R 0.12 A 0.01 C Shift Assignments>> C :: 177.6800 CA :: 54.6010 CB :: 44.2000 CG :: 26.8250 CD1 :: 24.0100 CD2 :: 26.7800 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 :: 8.0980 HA :: 4.6000 HB2 :: 1.7600 HB3 :: 1.7600 HG :: 1.7000 HD11 :: 0.9300 HD12 :: 0.9300 HD13 :: 0.9300 HD21 :: 0.8100 HD22 :: 0.8100 HD23 :: 0.8100 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 :: 120.8990 Ave N Shift Values>> N :: 121.86(3.9) 1.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.61 G 0.22 K 0.16 HN Overlap>> 1.Y50 1.Y50 C Shift Assignments>> C :: 177.5430 CA :: 56.2760 CB :: 32.8300 CG :: 27.9900 CD :: 43.8000 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 :: 9.3120 HA :: 4.5570 HB2 :: 2.1770 HB3 :: 1.9350 HG2 :: 1.8040 HG3 :: 1.9200 HD2 :: 3.3500 HD3 :: 3.4150 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 :: 122.7930 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.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.29 L 0.1 I 0.09 D 0.08 K 0.06 N 0.01 C Shift Assignments>> C :: 177.4720 CA :: 58.0860 CB :: 40.4800 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 :: 8.9590 HA :: 4.4900 HB2 :: 2.9660 HB3 :: 2.8300 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 :: 122.1290 Ave N Shift Values>> N :: 120.65(3.86) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 D 0.16 L 0.13 I 0.05 N 0.04 K 0.03 C Shift Assignments>> C :: 178.7070 CA :: 56.9010 CB :: 40.1000 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 :: 8.7760 HA :: 4.6300 HB2 :: 2.9150 HB3 :: 2.8500 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 :: 116.5310 Ave N Shift Values>> N :: 120.65(3.86) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.32 M 0.18 C Shift Assignments>> C :: 177.3020 CA :: 59.3190 CB :: 31.8400 CG :: 38.4400 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 :: 7.6920 HA :: 4.5500 HB2 :: 2.5790 HB3 :: 2.3000 HG2 :: 2.4030 HG3 :: 2.5800 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 :: 121.5140 Ave N Shift Values>> N :: 120.67(3.48) 1.Y12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.0980 CA :: 62.9500 CB :: 38.4120 CD1 :: 129.8400 CE1 :: 118.5800 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 :: 8.4250 HA :: 4.2900 HB2 :: 3.4040 HB3 :: 3.1400 HD1 :: 7.4000 HE1 :: 7.0000 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 :: 120.7800 Ave N Shift Values>> N :: 120.52(4.2) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.27 L 0.13 D 0.11 K 0.07 I 0.07 N 0.01 C Shift Assignments>> C :: 177.9190 CA :: 57.6540 CB :: 40.5310 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 :: 8.1690 HA :: 4.3700 HB3 :: 2.8200 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.1020 Ave N Shift Values>> N :: 120.65(3.86) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 E 0.16 M 0.02 C Shift Assignments>> CA :: 61.1100 CB :: 30.8300 CG :: 38.4000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.7820 HA :: 4.0600 HB2 :: 2.4180 HB3 :: 2.6070 HG2 :: 2.7560 HG3 :: 2.7560 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 :: 121.1500 Ave N Shift Values>> N :: 120.67(3.48) 1.W15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.6510 CA :: 58.7910 CB :: 27.7700 CD1 :: 129.0900 CE3 :: 119.5700 CZ2 :: 116.3900 CZ3 :: 120.9900 CH2 :: 123.0800 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 :: 8.0890 HA :: 3.3690 HB2 :: 3.2430 HB3 :: 2.1220 HD1 :: 7.0100 HE1 :: 11.7900 HE3 :: 7.2000 HZ2 :: 7.5800 HZ3 :: 7.1600 HH2 :: 7.2500 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 :: 120.4890 NE1 :: 133.2300 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.31 K 0.29 E 0.26 I 0.07 R 0.04 M 0.01 C Shift Assignments>> C :: 179.0890 CA :: 58.3310 CB :: 28.4700 CG :: 34.8200 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 :: 7.9460 HA :: 3.1200 HB2 :: 1.8760 HB3 :: 1.9500 HG2 :: 1.5800 HG3 :: 2.0170 HE21 :: 6.4000 HE22 :: 4.7600(S) 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 :: 113.5090 NE2 :: 113.8300 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.28 L 0.13 D 0.12 I 0.06 K 0.05 N 0.02 C Shift Assignments>> C :: 177.6600 CA :: 57.4590 CB :: 40.3700 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 :: 8.2530 HA :: 4.5200 HB2 :: 3.2800 HB3 :: 3.0250 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 :: 120.5340 Ave N Shift Values>> N :: 120.65(3.86) 1.I18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.3010 CA :: 66.1000 CB :: 36.7700 CG1 :: 29.0800 CG2 :: 16.4800 CD1 :: 13.8900 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 :: 8.6000 HA :: 3.0700 HB :: 1.1310 HG12 :: -0.8540(S) HG13 :: -0.9600(S) HG21 :: 0.5600 HG22 :: 0.5600 HG23 :: 0.5600 HD11 :: -0.3720(S) HD12 :: -0.3720(S) HD13 :: -0.3720(S) 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 :: 124.2800 Ave N Shift Values>> N :: 121.46(4.28) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.7510 CA :: 65.1090 CB :: 38.4900 CG1 :: 27.9400 CG2 :: 17.4000 CD1 :: 13.0800 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 :: 7.3770 HA :: 3.8600 HB :: 1.5800 HG12 :: 1.3610 HG13 :: 1.1090 HG21 :: 0.7500 HG22 :: 0.7500 HG23 :: 0.7500 HD11 :: 0.1200 HD12 :: 0.1200 HD13 :: 0.1200 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 :: 121.3680 Ave N Shift Values>> N :: 121.46(4.28) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 K 0.17 G 0.09 C Shift Assignments>> C :: 179.0650 CA :: 59.1540 CB :: 30.8000 CG :: 27.8000 CD :: 43.2000 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 :: 7.2090 HA :: 4.0700 HB2 :: 1.9790 HB3 :: 2.1090 HG2 :: 1.5800 HG3 :: 1.8600 HD2 :: 3.3400 HD3 :: 3.3400 HH12 :: 7.4900 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 :: 119.6270 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.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.25 L 0.14 D 0.12 K 0.09 I 0.05 N 0.01 C Shift Assignments>> C :: 178.7870 CA :: 57.4170 CB :: 40.6150 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 :: 9.0980 HA :: 4.6200 HB2 :: 3.1400 HB3 :: 3.0700 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 :: 119.8470 Ave N Shift Values>> N :: 120.65(3.86) 1.W22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.0940 CA :: 56.8430 CB :: 28.6000 CD1 :: 123.6000 CE3 :: 119.5000 CZ2 :: 116.4000 CZ3 :: 120.9000 CH2 :: 123.0800 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 :: 9.2530 HA :: 4.7400 HB2 :: 3.1760 HB3 :: 3.2450 HD1 :: 6.4200 HE1 :: 9.2600 HE3 :: 7.2000 HZ2 :: 7.5800 HZ3 :: 7.1600 HH2 :: 7.2600 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 :: 118.6780 NE1 :: 128.5300 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 G 0.3 R 0.26 K 0.02 C Shift Assignments>> C :: 174.9650 CA :: 57.0060 CB :: 26.9660 CG :: 27.7500 CD :: 43.9800 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 :: 7.7620 HA :: 4.0300 HB3 :: 2.0900 HG2 :: 1.7200 HG3 :: 1.7200 HD2 :: 3.1250 HD3 :: 3.3100 HH12 :: 7.4900 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 :: 116.9980 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.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.3 G 0.02 C Shift Assignments>> C :: 174.2580 CA :: 55.2390 CB :: 36.1140 CG :: 24.8400 CD :: 30.1000 CE :: 41.9790 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 :: 7.4620 HA :: 4.6400 HB3 :: 1.7500 HG2 :: 1.4860 HG3 :: 1.5100 HD2 :: 1.8680 HD3 :: 1.8680 HE2 :: 3.1440 HE3 :: 3.1440 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 :: 117.7080 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 K 0.15 I 0.09 Q 0.09 M 0.05 C Shift Assignments>> C :: 175.9620 CA :: 57.1460 CB :: 29.5000 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 :: 8.5590 HA :: 4.1670 HB2 :: 2.1000 HB3 :: 1.9800 HG2 :: 2.3100 HG3 :: 2.3100 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 :: 123.3520 Ave N Shift Values>> N :: 120.67(3.48) 1.M26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.38 I 0.01 C Shift Assignments>> C :: 176.8840 CA :: 55.5460 CB :: 36.7720 CG :: 32.0800 CE :: 17.5700 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 :: 7.3140 HA :: 4.9200 HB2 :: 2.0950 HB3 :: 2.1500 HG2 :: 2.6200 HG3 :: 2.7100 HE1 :: 1.9270 HE2 :: 1.9270 HE3 :: 1.9270 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.2470 Ave N Shift Values>> N :: 120.09(3.57) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.1120 CA :: 61.5820 CB :: 71.2030 CG2 :: 22.2900 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 :: 9.1290 HA :: 4.7400 HB :: 4.8900 HG21 :: 1.4700 HG22 :: 1.4700 HG23 :: 1.4700 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 :: 118.2840 Ave N Shift Values>> N :: 115.42(4.75) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.0140 CA :: 67.1100 CB :: 31.3000 CG1 :: 21.3750 CG2 :: 22.6000 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 :: 8.7450 HA :: 2.7300 HB :: 1.4400 HG11 :: 0.6400 HG12 :: 0.6400 HG13 :: 0.6400 HG21 :: 0.2200 HG22 :: 0.2200 HG23 :: 0.2200 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 :: 121.2400 Ave N Shift Values>> N :: 121.14(4.54) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.33 E 0.19 I 0.08 R 0.03 M 0.01 C Shift Assignments>> C :: 178.2060 CA :: 59.4800 CB :: 28.9200 CG :: 34.3800 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 :: 8.1790 HA :: 3.8300 HB2 :: 2.1600 HB3 :: 1.9760 HG2 :: 2.4780 HG3 :: 2.4090 HE21 :: 6.9100 HE22 :: 7.7600 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 :: 117.6720 NE2 :: 114.8300 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 K 0.25 Q 0.23 I 0.11 M 0.02 R 0.01 C Shift Assignments>> C :: 179.4570 CA :: 59.1230 CB :: 29.1500 CG :: 35.1000 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 :: 7.7970 HA :: 4.0900 HB2 :: 2.4610 HB3 :: 2.0380 HG2 :: 2.5900 HG3 :: 2.5900 HE21 :: 6.9600 HE22 :: 7.6500 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 :: 118.0230 NE2 :: 111.2100 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.92 Y 0.05 W 0.01 G 0.01 C Shift Assignments>> C :: 175.3130 CA :: 60.9730 CB :: 39.7150 CD1 :: 128.5000 CD2 :: 128.5000 CE1 :: 128.5000 CE2 :: 128.5000 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 :: 8.2900 HA :: 4.3500 HB2 :: 3.1940 HB3 :: 3.0500 HD1 :: 7.0200 HD2 :: 7.0200 HE1 :: 7.0200 HE2 :: 7.0200 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 :: 121.8010 Ave N Shift Values>> N :: 120.45(4.18) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.1 A 0.02 HN Overlap>> 1.M3 1.M3 C Shift Assignments>> C :: 180.0910 CA :: 58.0140 CB :: 41.4270 CG :: 26.3000 CD1 :: 22.4000 CD2 :: 26.5000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.5380 HA :: 3.5240 HB2 :: 1.8050 HB3 :: 1.3710 HG :: 1.8150 HD11 :: 0.7900 HD12 :: 0.7900 HD13 :: 0.7900 HD21 :: 0.7850 HD22 :: 0.7850 HD23 :: 0.7850 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 :: 119.7030 Ave N Shift Values>> N :: 121.86(3.9) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.2 K 0.18 L 0.16 D 0.11 I 0.04 R 0.01 N 0.01 C Shift Assignments>> C :: 178.0350 CA :: 57.4440 CB :: 41.1020 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 :: 8.2740 HA :: 4.3100 HB2 :: 2.7620 HB3 :: 2.6800 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.3920 Ave N Shift Values>> N :: 120.65(3.86) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 R 0.37 G 0.02 K 0.01 C Shift Assignments>> C :: 176.9750 CA :: 58.3900 CB :: 42.1000 CG :: 27.3400 CD1 :: 23.7500 CD2 :: 26.9300 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 :: 7.6480 HA :: 3.9500 HB2 :: 2.0120 HB3 :: 1.5310 HG :: 1.0620 HD11 :: 0.9800 HD12 :: 0.9800 HD13 :: 0.9800 HD21 :: 0.8380 HD22 :: 0.8380 HD23 :: 0.8380 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.5750 Ave N Shift Values>> N :: 121.86(3.9) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.24 G 0.02 C Shift Assignments>> C :: 177.9720 CA :: 60.1600 CB :: 32.6000 CG :: 24.9900 CD :: 30.7500 CE :: 42.1500 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 :: 7.9580 HA :: 3.1800 HB2 :: 1.3440 HB3 :: 1.1750 HG2 :: 1.2920 HG3 :: 1.0880 HD2 :: 1.5850 HD3 :: 1.4400 HE2 :: 3.0800 HE3 :: 2.9300 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 :: 118.4410 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.3 K 0.07 Q 0.03 M 0.02 C Shift Assignments>> C :: 180.0500 CA :: 59.6580 CB :: 29.6840 CG :: 36.5000 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 :: 7.9940 HA :: 3.9600 HB2 :: 2.0900 HB3 :: 2.1800 HG2 :: 2.2400 HG3 :: 2.3350 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 :: 117.0080 Ave N Shift Values>> N :: 120.67(3.48) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 K 0.16 G 0.08 L 0.01 C Shift Assignments>> C :: 179.5560 CA :: 56.9300 CB :: 29.7500 CG :: 28.2100 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 :: 8.1590 HA :: 4.1800 HB2 :: 1.8400 HB3 :: 2.0200 HG2 :: 1.8200 HG3 :: 1.8700 HD2 :: 3.1200 HD3 :: 3.1200 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 :: 119.5300 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.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 A 0.36 V 0.08 I 0.07 L 0.04 T 0.02 C Shift Assignments>> C :: 182.4150 CA :: 56.4170 CB :: 19.6100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9470 HA :: 4.2500 HB1 :: 1.8460 HB2 :: 1.8460 HB3 :: 1.8460 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.1630 Ave N Shift Values>> N :: 123.23(3.54) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.1 C Shift Assignments>> C :: 178.6520 CA :: 57.5760 CB :: 41.3700 CG :: 27.8100 CD1 :: 23.4500 CD2 :: 25.6500 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 :: 8.6380 HA :: 4.4300 HB2 :: 2.0390 HB3 :: 1.7630 HG :: 2.1340 HD11 :: 1.1200 HD12 :: 1.1200 HD13 :: 1.1200 HD21 :: 1.0800 HD22 :: 1.0800 HD23 :: 1.0800 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 :: 119.4140 Ave N Shift Values>> N :: 121.86(3.9) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.7260 CA :: 59.3000 CB :: 64.4000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7360 HA :: 4.6900 HB2 :: 4.2560 HB3 :: 4.1600 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.2750 Ave N Shift Values>> N :: 116.28(3.52) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.7400 CA :: 45.7630 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8800 HA2 :: 4.4500 HA3 :: 3.9170 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.3460 Ave N Shift Values>> N :: 109.67(3.87) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 L 0.08 M 0.07 V 0.01 C Shift Assignments>> C :: 177.8870 CA :: 53.8140 CB :: 20.4000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7900 HA :: 4.3900 HB1 :: 1.6100 HB2 :: 1.6100 HB3 :: 1.6100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.0240 Ave N Shift Values>> N :: 123.23(3.54) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.4290 CA :: 57.6290 CB :: 64.3090 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8100 HA :: 4.7300 HB2 :: 4.1840 HB3 :: 3.8930 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 :: 111.8870 Ave N Shift Values>> N :: 116.28(3.52) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.32 L 0.14 F 0.09 Y 0.07 K 0.01 HN Overlap>> 1.R60 1.R60 C Shift Assignments>> C :: 173.3890 CA :: 53.4130 CB :: 40.1600 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 :: 7.9330 HA :: 4.9350 HB2 :: 2.8140 HB3 :: 3.0400 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 :: 120.0530 Ave N Shift Values>> N :: 120.65(3.86) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.4640 CA :: 66.7560 CB :: 32.6420 CG :: 28.4500 CD :: 50.6260 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 :: 4.3200 HB2 :: 2.4800 HB3 :: 2.0560 HG2 :: 2.1560 HG3 :: 2.2800 HD2 :: 3.9700 HD3 :: 4.0300 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.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.32 I 0.11 L 0.09 D 0.07 K 0.03 N 0.01 C Shift Assignments>> C :: 178.1850 CA :: 58.1270 CB :: 40.1900 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 :: 8.4180 HA :: 4.5870 HB2 :: 2.8200 HB3 :: 2.7400 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.7270 Ave N Shift Values>> N :: 120.65(3.86) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> CA :: 64.1000 CB :: 62.8320 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0930 HA :: 4.2780 HB2 :: 3.9140 HB3 :: 3.6660 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 :: 121.2040 Ave N Shift Values>> N :: 116.28(3.52) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 Q 0.3 E 0.2 I 0.11 R 0.03 M 0.01 C Shift Assignments>> C :: 179.6210 CA :: 59.6700 CB :: 28.7300 CG :: 34.5000 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 :: 8.1310 HA :: 4.2840 HB2 :: 2.2440 HB3 :: 2.1700 HG2 :: 2.5160 HG3 :: 2.4210 HE21 :: 6.9400 HE22 :: 7.5000 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 :: 119.1370 NE2 :: 112.1500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 G 0.23 K 0.04 C Shift Assignments>> C :: 179.4650 CA :: 59.8920 CB :: 30.2920 CG :: 27.7800 CD :: 43.7000 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 :: 4.1740 HB2 :: 1.9200 HB3 :: 1.9200 HG2 :: 1.2800 HG3 :: 1.2800 HD2 :: 3.3200 HD3 :: 3.3200 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 :: 122.0370 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.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.95 W 0.02 G 0.01 HN Overlap>> 1.R8 1.R8 C Shift Assignments>> C :: 176.4680 CA :: 63.6780 CB :: 39.3000 CD1 :: 129.1200 CD2 :: 129.1200 CE1 :: 118.5800 CE2 :: 118.5800 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 :: 9.2850 HA :: 4.6000 HB2 :: 3.4400 HB3 :: 3.4400 HD1 :: 7.0100 HD2 :: 7.0100 HE1 :: 7.0100 HE2 :: 7.0100 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.8550 Ave N Shift Values>> N :: 120.52(4.2) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.28 I 0.09 N 0.08 D 0.07 E 0.06 L 0.04 M 0.02 C Shift Assignments>> C :: 178.7630 CA :: 56.9420 CB :: 38.4400 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 :: 8.6780 HA :: 4.5490 HB2 :: 2.9900 HB3 :: 2.9100 HD21 :: 7.1500 HD22 :: 7.3900 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 :: 117.8310 ND2 :: 110.8500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.46 I 0.03 C Shift Assignments>> C :: 179.8480 CA :: 55.3170 CB :: 18.6900 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9840 HA :: 4.3700 HB1 :: 1.6800 HB2 :: 1.6800 HB3 :: 1.6800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.1570 Ave N Shift Values>> N :: 123.23(3.54) 1.W53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 178.3830 CA :: 62.1820 CB :: 29.3000 CD1 :: 124.6000 CE3 :: 120.3600 CZ2 :: 115.3500 CZ3 :: 121.6600 CH2 :: 123.5500 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 :: 8.7600 HA :: 4.3810 HB2 :: 4.0720 HB3 :: 3.8020 HD1 :: 7.7000 HE1 :: 11.8500 HE3 :: 7.3960 HZ2 :: 7.1700 HZ3 :: 7.3900 HH2 :: 7.3800 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 :: 123.6100 NE1 :: 133.3500 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 G 0.04 R 0.02 A 0.01 C Shift Assignments>> C :: 180.0030 CA :: 57.9230 CB :: 42.6000 CG :: 26.8900 CD1 :: 24.2600 CD2 :: 22.4000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.0300 HA :: 3.5700 HB2 :: 1.5900 HB3 :: 1.6600 HG :: 1.8200 HD11 :: 1.0200 HD12 :: 1.0200 HD13 :: 1.0200 HD21 :: 0.7930 HD22 :: 0.7930 HD23 :: 0.7930 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 :: 120.2470 Ave N Shift Values>> N :: 121.86(3.9) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.27 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> C :: 178.7850 CA :: 59.4730 CB :: 29.8600 CG :: 36.6000 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 :: 7.5740 HA :: 4.0660 HB2 :: 2.2380 HB3 :: 2.1550 HG2 :: 2.3000 HG3 :: 2.5000 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 :: 118.4490 Ave N Shift Values>> N :: 120.67(3.48) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 G 0.02 C Shift Assignments>> C :: 179.3420 CA :: 57.5540 CB :: 42.1600 CG :: 25.3000 CD1 :: 24.2000 CD2 :: 24.2000 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 :: 7.4590 HA :: 4.1330 HB2 :: 1.8430 HB3 :: 1.7040 HG :: 1.0420 HD11 :: 0.9740 HD12 :: 0.9740 HD13 :: 0.9740 HD21 :: 0.9790 HD22 :: 0.9790 HD23 :: 0.9790 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 :: 119.1470 Ave N Shift Values>> N :: 121.86(3.9) 1.R57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.74 G 0.18 K 0.07 HN Overlap>> 1.A58 1.A58 C Shift Assignments>> C :: 177.7150 CA :: 58.7340 CB :: 30.5500 CG :: 27.7900 CD :: 43.6800 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 :: 7.8550 HA :: 3.7410 HB2 :: 1.5320 HB3 :: 1.0890 HG2 :: 1.1500 HG3 :: 1.2700 HD2 :: 2.1650(S) HD3 :: 2.0600(S) 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 :: 121.0300 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.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.29 I 0.01 HN Overlap>> 1.R57 1.R57 C Shift Assignments>> C :: 179.1020 CA :: 54.1110 CB :: 18.7400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8990 HA :: 4.1720 HB1 :: 1.5000 HB2 :: 1.5000 HB3 :: 1.5000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.9730 Ave N Shift Values>> N :: 123.23(3.54) 1.K59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.85 K 0.1 G 0.03 C Shift Assignments>> C :: 177.2260 CA :: 57.3730 CB :: 33.0000 CG :: 25.4600 CD :: 32.6700(S) CE :: 41.9460 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 :: 7.6570 HA :: 4.2780 HB2 :: 1.9250 HB3 :: 1.9900 HG2 :: 1.6640 HG3 :: 1.5400 HD2 :: 1.9670 HD3 :: 1.9670 HE2 :: 3.0470 HE3 :: 3.0470 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 :: 117.5430 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 G 0.18 K 0.03 HN Overlap>> 1.D44 1.D44 C Shift Assignments>> C :: 176.5300 CA :: 57.2950 CB :: 30.7680 CG :: 27.0460 CD :: 43.7290 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 :: 7.8710 HA :: 4.3380 HB2 :: 1.9250 HB3 :: 1.9670 HG2 :: 1.7300 HG3 :: 1.7300 HD2 :: 3.2500 HD3 :: 3.2500 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 :: 120.1140 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.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.11 G 0.03 A 0.02 C Shift Assignments>> C :: 176.5680 CA :: 55.5400 CB :: 42.7000 CG :: 26.9200 CD1 :: 25.4600 CD2 :: 23.3600 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 :: 8.0990 HA :: 4.4850 HB2 :: 1.7400 HB3 :: 1.7400 HG :: 1.7400 HD11 :: 0.9770 HD12 :: 0.9770 HD13 :: 0.9770 HD21 :: 0.9460 HD22 :: 0.9460 HD23 :: 0.9460 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.1290 Ave N Shift Values>> N :: 121.86(3.9) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 178.5730 CA :: 60.5000 CB :: 65.2450 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7870 HA :: 4.3300 HB2 :: 3.9500 HB3 :: 3.9400 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.3920 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 58 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 62 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 62 #Suspicious: 0 C Shift Results: #Consistent: 276 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 435 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 67 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q16 HE22 = 4.7600(S), Expected = 7.02, Std = 0.4400, ChiSquare = 2.8011e-07 1.I18 HG12 = -0.8540(S), Expected = 1.28, Std = 0.4000, ChiSquare = 9.5545e-08 1.I18 HG13 = -0.9600(S), Expected = 1.19, Std = 0.4100, ChiSquare = 1.5722e-07 1.I18 HD11 = -0.3720(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.8608e-04 1.I18 HD12 = -0.3720(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.8608e-04 1.I18 HD13 = -0.3720(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.8608e-04 1.R57 HD2 = 2.1650(S), Expected = 3.12, Std = 0.2400, ChiSquare = 6.9157e-05 1.R57 HD3 = 2.0600(S), Expected = 3.10, Std = 0.2600, ChiSquare = 6.3342e-05 1.K59 CD = 32.6700(S), Expected = 28.96, Std = 1.0800, ChiSquare = 5.9215e-04