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>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> CA :: 45.3400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.0570 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.09 G 0.04 A 0.02 HN Overlap>> 1.F103 1.F103 C Shift Assignments>> C :: 178.2300 CA :: 55.2800 CB :: 42.7500 CG :: 27.0800 CD1 :: 25.1100 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 :: 8.2840 HA :: 4.5570 HB2 :: 1.7340 HB3 :: 1.6770 HD11 :: 0.9740 HD12 :: 0.9740 HD13 :: 0.9740 HD21 :: 0.9310 HD22 :: 0.9310 HD23 :: 0.9310 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 :: 121.8000 Ave N Shift Values>> N :: 121.86(3.9) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.3700 CA :: 62.0300 CB :: 70.1100 CG2 :: 21.7500 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 :: 8.4740 HA :: 4.4540 HB :: 4.5160 HG21 :: 1.3530 HG22 :: 1.3530 HG23 :: 1.3530 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 :: 114.7200 Ave N Shift Values>> N :: 115.42(4.75) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 176.3100 CA :: 60.0000 CB :: 63.2200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.4430 HB2 :: 4.1220 HB3 :: 4.0320 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.06 G 0.01 C Shift Assignments>> C :: 178.9200 CA :: 58.1700 CB :: 42.0300 CG :: 27.2000 CD1 :: 25.0600 CD2 :: 24.4800 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 :: 8.3900 HA :: 4.1810 HB2 :: 1.8010 HB3 :: 1.7160 HD11 :: 0.9880 HD12 :: 0.9880 HD13 :: 0.9880 HD21 :: 0.9430 HD22 :: 0.9430 HD23 :: 0.9430 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 :: 123.2600 Ave N Shift Values>> N :: 121.86(3.9) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.32 E 0.19 I 0.09 R 0.05 M 0.01 C Shift Assignments>> C :: 179.1100 CA :: 59.1700 CB :: 28.5000 CG :: 34.4900 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 :: 8.1120 HA :: 4.1500 HB2 :: 2.2000 HG2 :: 2.5480 HG3 :: 2.4600 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 :: 118.3100 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.31 E 0.17 I 0.09 R 0.06 M 0.01 C Shift Assignments>> C :: 179.1100 CA :: 59.0800 CB :: 28.2400 CG :: 34.4600 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 :: 8.3930 HA :: 4.1590 HB2 :: 2.2790 HG2 :: 2.5850 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 :: 119.7800 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.28 E 0.22 I 0.09 R 0.05 C Shift Assignments>> C :: 178.5000 CA :: 58.6900 CB :: 28.1800 CG :: 34.7100 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 :: 8.3280 HA :: 4.2390 HB2 :: 2.2400 HG2 :: 2.4190 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.0000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K9 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.87 G 0.12 C Shift Assignments>> C :: 177.4800 CA :: 61.1300 CB :: 32.2300 CG :: 29.6600(S) CD :: 25.6500 CE :: 42.2900 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 :: 8.6410 HA :: 3.9170 HB2 :: 2.3360 HB3 :: 2.1730 HG2 :: 2.0560 HD2 :: 1.6250 HE2 :: 3.1770 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 :: 119.8100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.31 R 0.15 E 0.07 I 0.05 M 0.01 C Shift Assignments>> C :: 178.5000 CA :: 59.1300 CB :: 27.8200 CG :: 33.8400 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 :: 8.0850 HA :: 4.0990 HB2 :: 2.2800 HG2 :: 2.5890 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 :: 116.7400 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.82 G 0.1 K 0.06 HN Overlap>> 1.M127 1.M127 C Shift Assignments>> C :: 179.7300 CA :: 59.4400 CB :: 30.0000 CG :: 27.2000 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 :: 8.1650 HA :: 4.2210 HB2 :: 2.0950 HG2 :: 1.8260 HD2 :: 3.3900 HD3 :: 3.3070 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 :: 119.9500 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.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 L 0.24 K 0.05 G 0.04 HN Overlap>> 1.N123 1.N123 C Shift Assignments>> C :: 180.4900 CA :: 58.1900 CB :: 42.7700 CG :: 28.4000 CD1 :: 27.1500 CD2 :: 25.2200 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 :: 8.4000 HA :: 4.3520 HB2 :: 2.4600 HB3 :: 1.6310 HG :: 1.6250 HD11 :: 1.0600 HD12 :: 1.0600 HD13 :: 1.0600 HD21 :: 1.2550 HD22 :: 1.2550 HD23 :: 1.2550 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 :: 121.0500 Ave N Shift Values>> N :: 121.86(3.9) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.8400 CA :: 66.1600 CB :: 37.8800 CG1 :: 30.0400 CG2 :: 16.9500 CD1 :: 14.2600 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 :: 8.5630 HA :: 3.4470 HB :: 1.9300 HG12 :: 1.8230 HG13 :: 0.7020 HG21 :: 0.8220 HG22 :: 0.8220 HG23 :: 0.8220 HD11 :: 0.9370 HD12 :: 0.9370 HD13 :: 0.9370 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.0900 Ave N Shift Values>> N :: 121.46(4.28) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.39 K 0.08 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.9000 CA :: 59.8500 CB :: 29.1000 CG :: 36.4300 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 :: 8.4970 HA :: 4.0530 HB2 :: 2.2420 HB3 :: 2.1510 HG2 :: 2.4920 HG3 :: 2.3700 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 :: 120.8600 Ave N Shift Values>> N :: 120.67(3.48) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.3900 CA :: 61.4300 CB :: 62.7600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2040 HA :: 4.4130 HB2 :: 4.3120 HB3 :: 4.2270 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.0200 Ave N Shift Values>> N :: 116.28(3.52) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.03 G 0.01 C Shift Assignments>> C :: 177.4700 CA :: 58.4600 CB :: 42.0300 CG :: 26.4800 CD1 :: 25.1500 CD2 :: 23.9300 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 :: 7.7610 HA :: 4.0240 HB2 :: 2.1850 HB3 :: 1.4780 HD11 :: 0.5010 HD12 :: 0.5010 HD13 :: 0.5010 HD21 :: 0.7420 HD22 :: 0.7420 HD23 :: 0.7420 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.5600 Ave N Shift Values>> N :: 121.86(3.9) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 G 0.16 K 0.07 C Shift Assignments>> C :: 177.9700 CA :: 59.1800 CB :: 30.1200 CG :: 27.8900 CD :: 43.5200 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 :: 8.2080 HA :: 4.0020 HB2 :: 1.9910 HB3 :: 1.9000 HG2 :: 1.4910 HD2 :: 3.2630 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 :: 116.6900 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.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 Y 0.18 F 0.16 D 0.15 L 0.05 E 0.03 M 0.01 I 0.01 HN Overlap>> 1.S98 1.M88 1.S98 1.M88 C Shift Assignments>> C :: 176.9500 CA :: 54.8000 CB :: 38.4700 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 :: 8.4620 HA :: 4.6160 HB2 :: 2.9150 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.2600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.4000 CA :: 60.5500 CB :: 64.2000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5610 HA :: 4.3380 HB2 :: 3.8140 HB3 :: 3.6710 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 :: 113.3000 Ave N Shift Values>> N :: 116.28(3.52) 1.H20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.62 W 0.37 C Shift Assignments>> C :: 175.0600 CA :: 55.5800 CB :: 31.3900 CD2 :: 117.9300 CE1 :: 137.5700 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 :: 7.4660 HA :: 4.8710 HB2 :: 3.1110 HB3 :: 2.9400 HD2 :: 7.1950 HE1 :: 7.7940 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.8400 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.9000 CA :: 61.1300 CB :: 63.3000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6860 HA :: 4.5120 HB2 :: 4.1570 HB3 :: 4.0140 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 :: 119.1600 Ave N Shift Values>> N :: 116.28(3.52) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.9700 CA :: 58.0500 CB :: 63.6700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8580 HA :: 4.4230 HB2 :: 3.9300 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.9200 Ave N Shift Values>> N :: 116.28(3.52) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.0500 CA :: 62.0500 CB :: 38.5300 CG1 :: 30.1700 CG2 :: 18.2000 CD1 :: 14.7000 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 :: 7.7860 HA :: 4.3460 HB :: 2.1470 HG12 :: 1.7400 HG13 :: 1.4200 HG21 :: 1.0920 HG22 :: 1.0920 HG23 :: 1.0920 HD11 :: 0.8720 HD12 :: 0.8720 HD13 :: 0.8720 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 :: 121.9900 Ave N Shift Values>> N :: 121.46(4.28) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 L 0.05 C Shift Assignments>> C :: 176.4500 CA :: 50.4900 CB :: 21.1300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.3710 HA :: 4.8730 HB1 :: 1.4770 HB2 :: 1.4770 HB3 :: 1.4770 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.5200 Ave N Shift Values>> N :: 123.23(3.54) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.35 I 0.01 Q 0.01 HN Overlap>> 1.I45 1.I45 C Shift Assignments>> C :: 174.2200 CA :: 55.8000 CB :: 31.6100 CG :: 37.1900 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 :: 8.9990 HA :: 4.0850 HB2 :: 1.9860 HG2 :: 1.7000 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.5100 Ave N Shift Values>> N :: 120.67(3.48) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.0300 CA :: 60.6100 CB :: 36.1500 CG1 :: 26.7800 CG2 :: 17.0000 CD1 :: 8.8600 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 :: 8.2720 HA :: 4.0080 HB :: 1.5810 HG12 :: 1.3350 HG13 :: 1.1450 HG21 :: 0.8010 HG22 :: 0.8010 HG23 :: 0.8010 HD11 :: 0.5930 HD12 :: 0.5930 HD13 :: 0.5930 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 :: 130.6500 Ave N Shift Values>> N :: 121.46(4.28) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 Q 0.21 E 0.06 HN Overlap>> 1.L100 1.L100 C Shift Assignments>> C :: 174.9000 CA :: 54.9800 CB :: 32.5100 CG :: 33.8800 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 :: 7.9110 HA :: 4.5230 HB2 :: 1.8880 HG2 :: 2.3520 HG3 :: 2.1680 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 :: 117.0100 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K28 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.94 G 0.05 C Shift Assignments>> C :: 175.6800 CA :: 58.9900 CB :: 32.2500 CG :: 29.0600(S) CD :: 24.1700(S) CE :: 42.0300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.0650 HA :: 3.7120 HB2 :: 1.7740 HB3 :: 1.7040 HG2 :: 1.7500 HD2 :: 1.4520 HD3 :: 1.3540 HE2 :: 3.1070 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 :: 130.3100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.32 I 0.09 D 0.09 L 0.06 N 0.04 E 0.01 C Shift Assignments>> C :: 174.1700 CA :: 57.3200 CB :: 39.2000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.6200 HA :: 4.5790 HB2 :: 3.2680 HB3 :: 2.9150 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 :: 120.7900 Ave N Shift Values>> N :: 120.65(3.86) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.N84 1.N84 C Shift Assignments>> C :: 172.8800 CA :: 64.6800 CB :: 36.8600 CG1 :: 21.2400 CG2 :: 21.9000 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 :: 8.0610 HA :: 4.4860 HB :: 1.4080 HG11 :: 0.9000 HG12 :: 0.9000 HG13 :: 0.9000 HG21 :: 0.9730 HG22 :: 0.9730 HG23 :: 0.9730 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.3300 Ave N Shift Values>> N :: 121.14(4.54) 1.E31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.65 E 0.31 Q 0.03 C Shift Assignments>> C :: 173.7400 CA :: 55.2900 CB :: 33.8000 CG :: 36.0300 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 :: 8.5490 HA :: 5.6530(S) HB2 :: 1.7350 HG2 :: 2.2030 HG3 :: 1.9180 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.3800 Ave N Shift Values>> N :: 120.67(3.48) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.86 G 0.13 C Shift Assignments>> C :: 173.3500 CA :: 57.0200 CB :: 43.0000 CD1 :: 132.1200 CE1 :: 117.9500 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 :: 9.1940 HA :: 5.1850 HB2 :: 2.9620 HB3 :: 2.5610 HD1 :: 6.7740 HE1 :: 6.6340 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 :: 126.8700 Ave N Shift Values>> N :: 120.52(4.2) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 R 0.25 K 0.06 C Shift Assignments>> C :: 173.8400 CA :: 55.0900 CB :: 35.6000 CG :: 26.9500 CD :: 43.7300 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 :: 9.2610 HA :: 5.5930 HB2 :: 1.8590 HB3 :: 1.7260 HG2 :: 1.5250 HD2 :: 3.1750 HD3 :: 3.0060 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 :: 122.5600 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.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.1 C Shift Assignments>> C :: 173.1000 CA :: 51.3100 CB :: 46.1800 CG :: 26.8400 CD1 :: 26.8300 CD2 :: 24.9300 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 :: 9.6530 HA :: 5.2410 HB2 :: 1.9990 HB3 :: 1.2110 HG :: 1.6090 HD11 :: 0.6650 HD12 :: 0.6650 HD13 :: 0.6650 HD21 :: 0.8660 HD22 :: 0.8660 HD23 :: 0.8660 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 :: 129.2500 Ave N Shift Values>> N :: 121.86(3.9) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.4900 CA :: 62.0800 CB :: 31.9300 CG :: 27.2100 CD :: 51.1400 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 :: 5.2800 HB2 :: 2.2500 HB3 :: 1.9680 HG2 :: 2.0800 HD2 :: 3.9170 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.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 Y 0.4 G 0.02 C Shift Assignments>> C :: 172.7700 CA :: 57.7300 CB :: 42.5500 CD2 :: 131.6800 CE2 :: 131.6800 CZ :: 129.6200 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 :: 9.2430 HA :: 4.8970 HB2 :: 2.9360 HB3 :: 2.7370 HD2 :: 7.1030 HE2 :: 7.1030 HZ :: 6.6500 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 :: 124.1000 Ave N Shift Values>> N :: 120.45(4.18) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.7600 CA :: 61.0700 CB :: 70.5000 CG2 :: 21.1600 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 :: 7.9340 HA :: 5.2260 HB :: 3.7360 HG21 :: 1.0140 HG22 :: 1.0140 HG23 :: 1.0140 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 :: 122.9500 Ave N Shift Values>> N :: 115.42(4.75) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.01 C Shift Assignments>> C :: 174.1400 CA :: 58.5700 CB :: 39.5900 CG1 :: 28.8500 CG2 :: 16.7400 CD1 :: 15.3500 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 :: 8.7410 HA :: 4.1950 HB :: 1.3810 HG12 :: 1.2000 HG13 :: 0.9490 HG21 :: 0.7270 HG22 :: 0.7270 HG23 :: 0.7270 HD11 :: 0.7060 HD12 :: 0.7060 HD13 :: 0.7060 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 :: 125.0700 Ave N Shift Values>> N :: 121.46(4.28) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 E 0.22 Y 0.14 M 0.1 F 0.09 D 0.03 K 0.02 I 0.01 L 0.01 C Shift Assignments>> C :: 174.2500 CA :: 54.7300 CB :: 37.0000 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.1650 HA :: 4.2660 HB2 :: 3.0550 HB3 :: 2.8550 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 :: 126.0700 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 Y 0.14 F 0.12 D 0.11 E 0.05 L 0.03 M 0.03 I 0.01 C Shift Assignments>> C :: 173.5400 CA :: 54.3500 CB :: 38.0600 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 :: 8.5720 HA :: 4.3890 HB2 :: 2.9930 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 :: 113.0100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 G 0.23 R 0.04 A 0.01 C Shift Assignments>> C :: 174.9500 CA :: 54.3900 CB :: 43.9800 CG :: 26.9100 CD1 :: 25.1200 CD2 :: 24.1600 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 :: 8.2500 HA :: 4.6320 HB2 :: 1.7580 HB3 :: 1.5860 HD11 :: 0.7190 HD12 :: 0.7190 HD13 :: 0.7190 HD21 :: 0.8140 HD22 :: 0.8140 HD23 :: 0.8140 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.6300 Ave N Shift Values>> N :: 121.86(3.9) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.8200 CA :: 62.2800 CB :: 69.9200 CG2 :: 21.2100 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 :: 8.3870 HA :: 4.9780 HB :: 3.8610 HG21 :: 1.0660 HG22 :: 1.0660 HG23 :: 1.0660 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.6200 Ave N Shift Values>> N :: 115.42(4.75) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 173.5900 CA :: 58.9500 CB :: 40.5400 CG1 :: 25.8700 CG2 :: 17.6500 CD1 :: 13.4300 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.1030 HA :: 4.7740 HB :: 1.6200 HG12 :: 1.3700 HG13 :: 1.0500 HG21 :: 0.6620 HG22 :: 0.6620 HG23 :: 0.6620 HD11 :: 0.4000 HD12 :: 0.4000 HD13 :: 0.4000 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.2900 Ave N Shift Values>> N :: 121.46(4.28) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 L 0.23 N 0.16 K 0.08 F 0.05 Y 0.03 R 0.02 C Shift Assignments>> C :: 173.8600 CA :: 52.5800 CB :: 41.4600 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 :: 8.8590 HA :: 5.2580 HB2 :: 2.8140 HB3 :: 2.0940 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 :: 119.3700 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E25 1.E25 C Shift Assignments>> C :: 174.0300 CA :: 61.0500 CB :: 38.3100 CG1 :: 28.6400 CG2 :: 17.5800 CD1 :: 14.3900 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 :: 8.9560 HA :: 4.5410 HB :: 2.0910 HG12 :: 1.6500 HG13 :: 1.0070 HG21 :: 0.7480 HG22 :: 0.7480 HG23 :: 0.7480 HD11 :: 0.7500 HD12 :: 0.7500 HD13 :: 0.7500 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 :: 124.5300 Ave N Shift Values>> N :: 121.46(4.28) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.23 N 0.16 K 0.08 F 0.06 Y 0.04 R 0.01 C Shift Assignments>> C :: 173.6900 CA :: 53.0100 CB :: 41.3100 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.8460 HA :: 5.3160 HB2 :: 2.7680 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 :: 129.2300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 172.8100 CA :: 61.3600 CB :: 40.3800 CG1 :: 28.6000 CG2 :: 18.5600 CD1 :: 16.0500 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.4270 HA :: 4.4700 HB :: 1.8600 HG12 :: 1.5700 HG13 :: 0.8660 HG21 :: 0.6520 HG22 :: 0.6520 HG23 :: 0.6520 HD11 :: 0.7900 HD12 :: 0.7900 HD13 :: 0.7900 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 :: 124.8500 Ave N Shift Values>> N :: 121.46(4.28) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 G 0.45 A 0.02 C Shift Assignments>> C :: 175.3000 CA :: 53.1800 CB :: 44.4500 CG :: 27.8400 CD1 :: 23.8600 CD2 :: 23.8600 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 :: 8.9530 HA :: 5.2400 HB2 :: 1.9010 HB3 :: 1.5000 HG :: 1.4210 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 :: 129.3700 Ave N Shift Values>> N :: 121.86(3.9) 1.L49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.7 L 0.29 C Shift Assignments>> C :: 174.0200 CA :: 50.3200 CB :: 39.7000 CD1 :: 25.1800 CD2 :: 21.9000 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 :: 9.5670 HA :: 4.5410 HB2 :: 2.1000 HB3 :: 0.5370 HG :: 1.3200 HD11 :: 0.4290 HD12 :: 0.4290 HD13 :: 0.4290 HD21 :: -0.3300(S) HD22 :: -0.3300(S) HD23 :: -0.3300(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 :: 126.5300 Ave N Shift Values>> N :: 121.86(3.9) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 S 0.02 C Shift Assignments>> C :: 175.0000 CA :: 62.3000 CB :: 30.9200 CG :: 27.7100 CD :: 52.4300 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 :: 4.6740 HB2 :: 2.4480 HB3 :: 2.0480 HD2 :: 4.3100 HD3 :: 3.4270 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.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.6800 CA :: 66.3100 CB :: 32.3400 CG :: 27.6700 CD :: 50.5600 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 :: 4.3880 HB2 :: 2.4980 HB3 :: 2.0200 HG2 :: 2.2470 HD2 :: 3.8050 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.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.47 K 0.23 R 0.15 E 0.1 M 0.01 I 0.01 C Shift Assignments>> C :: 176.8500 CA :: 55.0000 CB :: 27.4000 CG :: 34.4300 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 :: 8.6590 HA :: 4.6150 HB2 :: 1.9910 HG2 :: 2.4490 HG3 :: 2.3550 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 :: 111.5700 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 F 0.41 C Shift Assignments>> C :: 174.7200 CA :: 57.0400 CB :: 40.3000 CD1 :: 132.9900 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 :: 8.4240 HA :: 5.0200 HB2 :: 3.1490 HD1 :: 7.3680 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 :: 124.6300 Ave N Shift Values>> N :: 120.45(4.18) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.95 G 0.02 A 0.01 C Shift Assignments>> C :: 174.3100 CA :: 63.7800 CB :: 32.8800 CG :: 24.4900 CD :: 49.3900 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.9060 HB2 :: 2.0330 HB3 :: 2.0760 HD2 :: 3.5100 HD3 :: 3.1580 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.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.36 R 0.14 E 0.04 M 0.03 I 0.02 C Shift Assignments>> C :: 176.1900 CA :: 58.5700 CB :: 28.3000 CG :: 33.4400 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 :: 8.9830 HA :: 4.2490 HB2 :: 2.1680 HG2 :: 2.4890 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 :: 124.9500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 E 0.36 Q 0.01 C Shift Assignments>> C :: 174.4900 CA :: 54.1000 CB :: 32.6500 CG :: 36.5800 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 :: 6.7830 HA :: 4.5580 HB2 :: 1.9490 HB3 :: 1.6250 HG2 :: 2.2960 HG3 :: 2.2300 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 :: 116.2000 Ave N Shift Values>> N :: 120.67(3.48) 1.K57 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.9 G 0.07 A 0.01 C Shift Assignments>> C :: 173.6600 CA :: 55.0800 CB :: 31.3700 CG :: 29.5400(S) CD :: 24.9000(S) CE :: 42.2600 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 :: 8.2250 HA :: 4.1670 HB2 :: 1.9860 HG2 :: 1.9710 HD2 :: 1.6910 HD3 :: 1.9090 HE2 :: 3.2580 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 :: 119.6400 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 G 0.02 C Shift Assignments>> C :: 174.2400 CA :: 62.2300 CB :: 31.8400 CG :: 26.5700 CD :: 48.6500 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 :: 4.6220 HB2 :: 1.7060 HB3 :: 1.4930 HD2 :: 3.2120 HD3 :: 2.7520 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.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.6300 CA :: 62.5800 CB :: 33.3200 CG1 :: 20.4900 CG2 :: 21.5700 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 :: 8.8620 HA :: 4.1550 HB :: 2.1780 HG11 :: 0.9670 HG12 :: 0.9670 HG13 :: 0.9670 HG21 :: 1.0950 HG22 :: 1.0950 HG23 :: 1.0950 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 :: 121.0100 Ave N Shift Values>> N :: 121.14(4.54) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.4200 CA :: 59.8400 CB :: 39.0600 CG1 :: 27.9000 CG2 :: 18.0800 CD1 :: 13.3800 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 :: 8.9990 HA :: 5.4660 HB :: 1.8000 HG12 :: 1.5200 HG21 :: 0.8020 HG22 :: 0.8020 HG23 :: 0.8020 HD11 :: 0.7200 HD12 :: 0.7200 HD13 :: 0.7200 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 :: 129.8000 Ave N Shift Values>> N :: 121.46(4.28) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 S 0.23 C Shift Assignments>> C :: 172.6500 CA :: 55.5900 CB :: 67.9500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.5310 HA :: 5.7870 HB2 :: 3.6980 HB3 :: 3.6280 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 :: 123.5200 Ave N Shift Values>> N :: 116.28(3.52) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.1600 CA :: 60.3500 CB :: 35.5700 CG1 :: 21.8200 CG2 :: 22.3800 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 :: 8.9180 HA :: 5.2730 HB :: 1.8140 HG11 :: 0.8600 HG12 :: 0.8600 HG13 :: 0.8600 HG21 :: 0.8860 HG22 :: 0.8860 HG23 :: 0.8860 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.3300 Ave N Shift Values>> N :: 121.14(4.54) 1.Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.9 G 0.09 C Shift Assignments>> C :: 174.1800 CA :: 55.9000 CB :: 42.7200 CD1 :: 133.2900 CE1 :: 118.2600 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 :: 8.2990 HA :: 4.4450 HB2 :: 2.9170 HD1 :: 7.2030 HE1 :: 6.8510 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 :: 122.3500 Ave N Shift Values>> N :: 120.52(4.2) 1.P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 C Shift Assignments>> C :: 172.0000 CA :: 61.7400 CB :: 32.5300 CG :: 24.8300 CD :: 49.8900 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.5350 HB2 :: 1.8370 HD2 :: 3.5860 HD3 :: 3.4370 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.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.9100 CA :: 63.2400 CB :: 31.8200 CG :: 27.5800 CD :: 50.3600 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 :: 4.5230 HD2 :: 3.6600 HD3 :: 3.4060 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.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 I 0.12 A 0.03 C Shift Assignments>> C :: 174.3400 CA :: 59.1600 CB :: 43.7100 CG1 :: 24.8200 CG2 :: 18.0000 CD1 :: 15.7500 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 :: 8.9490 HA :: 5.0130 HB :: 1.5800 HG12 :: 1.6020 HG13 :: 1.1550 HG21 :: 0.7810 HG22 :: 0.7810 HG23 :: 0.7810 HD11 :: 0.6230 HD12 :: 0.6230 HD13 :: 0.6230 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 :: 115.3300 Ave N Shift Values>> N :: 121.46(4.28) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.15 K 0.04 C Shift Assignments>> C :: 176.0400 CA :: 54.5300 CB :: 30.9200 CG :: 26.8500 CD :: 43.5200 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 :: 9.0240 HA :: 4.6550 HB2 :: 1.8230 HB3 :: 1.6460 HD2 :: 3.2430 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 :: 118.8300 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.H68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 H 0.48 C Shift Assignments>> C :: 175.0700 CA :: 58.5800 CB :: 30.1800 CD2 :: 119.1900 CE1 :: 137.7200 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 :: 7.8200 HA :: 4.4280 HD2 :: 7.2080 HE1 :: 8.1640 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 :: 124.5200 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.54 H 0.45 C Shift Assignments>> C :: 176.2400 CA :: 59.1000 CB :: 29.1700 CD2 :: 119.1200 CE1 :: 136.8000 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>> HA :: 4.5750 HB2 :: 3.3520 HB3 :: 3.0120 HD2 :: 7.0090 HE1 :: 7.0550 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 G 0.06 K 0.03 A 0.01 C Shift Assignments>> C :: 175.8400 CA :: 56.2300 CB :: 42.9000 CD1 :: 26.1200 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 :: 9.6140 HA :: 4.3430 HB2 :: 1.8100 HB3 :: 1.6100 HG :: 1.4070 HD11 :: 0.4430 HD12 :: 0.4430 HD13 :: 0.4430 HD21 :: 0.9050 HD22 :: 0.9050 HD23 :: 0.9050 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 :: 122.5900 Ave N Shift Values>> N :: 121.86(3.9) 1.M71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.31 C Shift Assignments>> C :: 177.9800 CA :: 52.2200 CB :: 31.8800 CE :: 14.9100 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 :: 7.6620 HA :: 5.5560 HB2 :: 2.8410 HB3 :: 2.5720 HG2 :: 2.4930 HG3 :: 2.2940 HE1 :: 1.7330 HE2 :: 1.7330 HE3 :: 1.7330 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 :: 112.0900 Ave N Shift Values>> N :: 120.09(3.57) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.21 N 0.18 F 0.07 K 0.07 Y 0.05 C Shift Assignments>> C :: 177.1200 CA :: 53.2100 CB :: 41.0500 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 :: 8.5560 HA :: 4.6910 HB2 :: 3.4520 HB3 :: 3.0260 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 :: 119.0300 Ave N Shift Values>> N :: 120.65(3.86) 1.K73 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.92 G 0.07 C Shift Assignments>> C :: 178.2300 CA :: 59.3600 CB :: 32.3000 CG :: 29.3200(S) CD :: 25.2000(S) CE :: 42.1000 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 :: 8.5330 HA :: 4.1490 HB2 :: 2.0000 HD2 :: 1.7730 HD3 :: 1.6190 HE2 :: 3.0910 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 :: 118.8800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.3 E 0.28 R 0.03 I 0.02 M 0.02 C Shift Assignments>> C :: 175.8400 CA :: 56.8300 CB :: 28.8200 CG :: 34.8800 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 :: 4.3430 HB2 :: 2.3840 HB3 :: 2.2400 HG2 :: 2.5500 HG3 :: 2.4740 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 :: 115.6300 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 P 0.05 A 0.04 L 0.04 N 0.01 C Shift Assignments>> C :: 172.7800 CA :: 47.6200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2280 HA2 :: 3.8930 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.3600 Ave N Shift Values>> N :: 109.67(3.87) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.9900 CA :: 63.7200 CB :: 34.8200 CG1 :: 20.8400 CG2 :: 21.3900 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 :: 8.3700 HA :: 4.3060 HB :: 1.7200 HG11 :: 0.3040 HG12 :: 0.3040 HG13 :: 0.3040 HG21 :: 0.8000 HG22 :: 0.8000 HG23 :: 0.8000 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 :: 116.7000 Ave N Shift Values>> N :: 121.14(4.54) 1.Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 F 0.31 C Shift Assignments>> C :: 176.3100 CA :: 58.0300 CB :: 39.1600 CD1 :: 133.4700 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 :: 8.0490 HA :: 5.0190 HD1 :: 7.2680 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 :: 115.4000 Ave N Shift Values>> N :: 120.52(4.2) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.1700 CA :: 62.7700 CB :: 32.4900 CG1 :: 21.9000 CG2 :: 22.3200 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 :: 8.4400 HA :: 4.5760 HB :: 2.0750 HG11 :: 0.9960 HG12 :: 0.9960 HG13 :: 0.9960 HG21 :: 1.0500 HG22 :: 1.0500 HG23 :: 1.0500 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.5200 Ave N Shift Values>> N :: 121.14(4.54) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.7000 CA :: 59.9900 CB :: 69.3100 CG2 :: 21.3900 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 :: 9.2070 HA :: 4.6730 HB :: 4.3640 HG21 :: 1.2830 HG22 :: 1.2830 HG23 :: 1.2830 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.5800 Ave N Shift Values>> N :: 115.42(4.75) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.0400 CA :: 55.3800 CB :: 65.1300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.4410 HA :: 4.9760 HB2 :: 4.2760 HB3 :: 3.4180 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.5400 Ave N Shift Values>> N :: 116.28(3.52) 1.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 S 0.01 C Shift Assignments>> C :: 176.8500 CA :: 65.3200 CB :: 32.3900 CG :: 27.4700 CD :: 52.0600 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 :: 4.4130 HB2 :: 2.5000 HB3 :: 2.0670 HD2 :: 4.0350 HD3 :: 3.9930 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.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.14 G 0.04 C Shift Assignments>> C :: 178.3800 CA :: 57.6300 CB :: 42.7800 CG :: 27.3400 CD1 :: 25.2000 CD2 :: 23.2400 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 :: 8.1060 HA :: 4.1240 HB2 :: 1.6370 HB3 :: 1.4780 HD11 :: 0.9370 HD12 :: 0.9370 HD13 :: 0.9370 HD21 :: 0.9440 HD22 :: 0.9440 HD23 :: 0.9440 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.4000 Ave N Shift Values>> N :: 121.86(3.9) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.6600 CA :: 63.6400 CB :: 32.7900 CG1 :: 21.9800 CG2 :: 22.6400 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.2140 HA :: 4.1190 HB :: 2.2200 HG11 :: 1.0000 HG12 :: 1.0000 HG13 :: 1.0000 HG21 :: 0.9200 HG22 :: 0.9200 HG23 :: 0.9200 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 :: 112.0700 Ave N Shift Values>> N :: 121.14(4.54) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 Y 0.22 F 0.19 D 0.14 L 0.05 E 0.04 I 0.02 M 0.02 HN Overlap>> 1.V30 1.V30 C Shift Assignments>> C :: 176.1800 CA :: 55.3200 CB :: 38.4600 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 :: 8.1270 HA :: 4.6220 HB2 :: 2.9450 HB3 :: 2.7250 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 :: 117.3900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.72 D 0.08 Y 0.05 F 0.05 M 0.02 E 0.02 L 0.01 C Shift Assignments>> C :: 174.1500 CA :: 52.4500 CB :: 37.7000 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.1640 HA :: 4.9610 HB2 :: 3.0410 HB3 :: 2.8850 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 :: 116.0600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 F 0.46 C Shift Assignments>> C :: 174.9200 CA :: 60.1100 CB :: 40.5400 CD1 :: 132.1200 CE1 :: 132.1200 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 :: 7.6590 HA :: 4.2250 HB2 :: 3.4660 HB3 :: 3.0480 HD1 :: 7.1880 HE1 :: 7.1880 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 :: 121.6800 Ave N Shift Values>> N :: 120.45(4.18) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.0400 CA :: 59.9800 CB :: 73.1900 CG2 :: 21.0200 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 :: 7.9990 HA :: 4.5930 HB :: 4.3850 HG21 :: 1.2250 HG22 :: 1.2250 HG23 :: 1.2250 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 :: 118.2900 Ave N Shift Values>> N :: 115.42(4.75) 1.M88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.83 I 0.09 A 0.04 V 0.01 HN Overlap>> 1.N18 1.S98 1.N18 1.S98 C Shift Assignments>> C :: 174.5300 CA :: 57.6000 CB :: 31.1100 CE :: 17.0300 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 :: 8.4620 HA :: 3.9080 HB2 :: 2.2640 HB3 :: 1.9230 HE1 :: 2.0030 HE2 :: 2.0030 HE3 :: 2.0030 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 :: 115.2600 Ave N Shift Values>> N :: 120.09(3.57) 1.H89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.54 W 0.44 C Shift Assignments>> C :: 175.4400 CA :: 55.4400 CB :: 32.1500 CD2 :: 119.6800 CE1 :: 137.2700 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 :: 7.5730 HA :: 4.5880 HB2 :: 2.6210 HB3 :: 2.5490 HD2 :: 7.1530 HE1 :: 8.2410 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 :: 115.2300 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.0500 CA :: 59.8100 CB :: 63.6100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6740 HA :: 4.2760 HB2 :: 3.7440 HB3 :: 3.3540 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.4700 Ave N Shift Values>> N :: 116.28(3.52) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.26 R 0.16 K 0.09 F 0.04 N 0.03 Y 0.02 G 0.02 C Shift Assignments>> C :: 176.6300 CA :: 53.2900 CB :: 42.6500 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 :: 8.5830 HA :: 4.8130 HB2 :: 2.9600 HB3 :: 2.6070 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.0700 Ave N Shift Values>> N :: 120.65(3.86) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 G 0.09 K 0.01 C Shift Assignments>> C :: 177.9900 CA :: 57.6500 CB :: 43.0600 CD1 :: 25.7600 CD2 :: 23.6200 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8810 HA :: 4.3490 HB2 :: 1.9610 HB3 :: 1.7710 HD11 :: 0.8670 HD12 :: 0.8670 HD13 :: 0.8670 HD21 :: 0.9880 HD22 :: 0.9880 HD23 :: 0.9880 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 :: 125.6700 Ave N Shift Values>> N :: 121.86(3.9) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.69 A 0.15 N 0.06 G 0.04 D 0.02 C Shift Assignments>> C :: 176.5500 CA :: 48.8700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4670 HA2 :: 3.7990 HA3 :: 4.3060 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.0800 Ave N Shift Values>> N :: 109.67(3.87) 1.K94 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.89 G 0.1 C Shift Assignments>> C :: 179.7300 CA :: 59.3100 CB :: 32.2000 CG :: 29.7500(S) CD :: 27.1000 CE :: 43.1600 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 :: 8.4400 HA :: 4.2320 HB2 :: 2.0000 HG2 :: 2.0950 HD2 :: 1.8760 HD3 :: 1.7890 HE2 :: 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 :: 124.4200 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.0200 CA :: 65.7500 CB :: 38.0500 CG1 :: 29.4000 CG2 :: 16.6100 CD1 :: 14.3700 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 :: 8.0940 HA :: 3.8150 HB :: 2.1000 HG12 :: 1.3800 HG13 :: 1.5220 HG21 :: 0.8830 HG22 :: 0.8830 HG23 :: 0.8830 HD11 :: 1.1780 HD12 :: 1.1780 HD13 :: 1.1780 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 :: 121.5900 Ave N Shift Values>> N :: 121.46(4.28) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.6000 CA :: 62.4000 CB :: 34.8800 CG1 :: 27.7800 CG2 :: 16.7000 CD1 :: 9.7000 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 :: 8.1200 HA :: 3.6660 HB :: 1.9800 HG12 :: 1.7900 HG13 :: 1.1540 HG21 :: 0.3970 HG22 :: 0.3970 HG23 :: 0.3970 HD11 :: 0.6130 HD12 :: 0.6130 HD13 :: 0.6130 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 :: 117.8700 Ave N Shift Values>> N :: 121.46(4.28) 1.Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 Q 0.36 R 0.12 E 0.05 M 0.03 I 0.02 C Shift Assignments>> C :: 177.1000 CA :: 58.9000 CB :: 28.4200 CG :: 33.5300 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 :: 8.3060 HA :: 3.9190 HB2 :: 2.2500 HG2 :: 2.5380 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 :: 119.0500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N18 1.N18 1.M88 1.M88 C Shift Assignments>> C :: 177.0000 CA :: 62.4400 CB :: 63.5300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4200 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.3200 Ave N Shift Values>> N :: 116.28(3.52) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 K 0.05 C Shift Assignments>> C :: 177.2600 CA :: 57.9100 CB :: 40.8800 CD1 :: 25.8600 CD2 :: 24.4700 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 :: 7.6460 HA :: 3.6190 HB2 :: 1.7040 HB3 :: 1.2290 HD11 :: 0.6220 HD12 :: 0.6220 HD13 :: 0.6220 HD21 :: 0.6390 HD22 :: 0.6390 HD23 :: 0.6390 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 :: 121.9000 Ave N Shift Values>> N :: 121.86(3.9) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 I 0.2 A 0.11 HN Overlap>> 1.Q27 1.Q27 C Shift Assignments>> C :: 179.4600 CA :: 58.2400 CB :: 39.9200 CD1 :: 25.2100 CD2 :: 20.7900 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 :: 7.8420 HA :: 3.4730 HB2 :: 1.9400 HB3 :: 1.1630 HG :: 1.6610 HD11 :: 0.7730 HD12 :: 0.7730 HD13 :: 0.7730 HD21 :: 0.0410 HD22 :: 0.0410 HD23 :: 0.0410 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.0200 Ave N Shift Values>> N :: 121.86(3.9) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.29 L 0.11 D 0.1 I 0.08 K 0.05 N 0.01 C Shift Assignments>> C :: 179.8300 CA :: 57.7300 CB :: 40.3600 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 :: 8.7280 HA :: 4.6620 HB2 :: 2.9810 HB3 :: 2.8070 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 :: 118.0100 Ave N Shift Values>> N :: 120.65(3.86) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.18 K 0.13 Q 0.07 M 0.03 C Shift Assignments>> C :: 180.4200 CA :: 58.7800 CB :: 29.4500 CG :: 36.1800 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 :: 7.7500 HA :: 4.3710 HB2 :: 2.2620 HB3 :: 2.1250 HG2 :: 2.6450 HG3 :: 2.4020 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.7200 Ave N Shift Values>> N :: 120.67(3.48) 1.F103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.93 Y 0.05 HN Overlap>> 1.L2 1.L2 C Shift Assignments>> C :: 176.2800 CA :: 57.7800 CB :: 38.0000 CD1 :: 128.9100 CE1 :: 130.2300 CZ :: 128.5500 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 :: 8.2840 HA :: 4.5700 HB2 :: 3.0330 HB3 :: 2.8880 HD1 :: 6.1990 HE1 :: 6.4410 HZ :: 6.7680 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 :: 121.8000 Ave N Shift Values>> N :: 120.45(4.18) 1.W104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 178.4700 CA :: 60.3700 CB :: 29.6500 CD1 :: 127.3200 CE3 :: 121.1300 CZ2 :: 114.7800 CZ3 :: 122.0300 CH2 :: 124.6000 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 :: 8.5440 HA :: 4.6100 HB2 :: 3.5320 HD1 :: 7.4010 HE1 :: 10.3200 HE3 :: 7.8200 HZ2 :: 7.6600 HZ3 :: 7.2910 HH2 :: 7.3770 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 :: 116.3900 NE1 :: 128.5000 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K105 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.92 G 0.06 HN Overlap>> 1.S122 1.S122 C Shift Assignments>> C :: 177.0700 CA :: 58.9600 CB :: 33.7000 CG :: 29.1700(S) CD :: 25.1300(S) CE :: 42.0600 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 :: 7.9600 HA :: 4.1380 HB2 :: 2.0920 HB3 :: 2.0180 HG2 :: 1.8300 HD2 :: 1.6260 HE2 :: 3.0600 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 :: 116.7900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.34 L 0.1 F 0.03 Y 0.02 C Shift Assignments>> C :: 170.4500 CA :: 50.6600 CB :: 40.4400 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 :: 7.6760 HA :: 5.2950 HB2 :: 2.8780 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.5900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.2400 CA :: 62.0200 CB :: 31.3100 CG :: 27.3900 CD :: 50.3100 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 :: 5.4720 HB2 :: 2.2750 HB3 :: 1.8990 HG2 :: 2.1470 HD2 :: 3.7660 HD3 :: 3.6780 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.P108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 173.5800 CA :: 62.1300 CB :: 33.9900 CG :: 25.6000 CD :: 50.3100 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 :: 4.9150 HB2 :: 1.9880 HB3 :: 1.6860 HG2 :: 1.4730 HG3 :: 1.1000 HD2 :: 3.8920 HD3 :: 3.5890 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.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 A 0.03 C Shift Assignments>> C :: 175.3300 CA :: 59.2500 CB :: 35.1800 CG1 :: 19.4400 CG2 :: 21.4400 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.2960 HA :: 4.5300 HB :: 2.2050 HG11 :: 0.9440 HG12 :: 0.9440 HG13 :: 0.9440 HG21 :: 1.0320 HG22 :: 1.0320 HG23 :: 1.0320 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 110.4300 Ave N Shift Values>> N :: 121.14(4.54) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.03 A 0.01 C Shift Assignments>> C :: 176.9800 CA :: 56.1900 CB :: 41.8000 CG :: 26.6800 CD1 :: 23.6400 CD2 :: 25.1000 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 :: 8.6540 HA :: 4.2780 HB2 :: 1.6560 HB3 :: 1.5900 HD11 :: 0.8090 HD12 :: 0.8090 HD13 :: 0.8090 HD21 :: 0.9410 HD22 :: 0.9410 HD23 :: 0.9410 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 :: 122.8200 Ave N Shift Values>> N :: 121.86(3.9) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.09 C Shift Assignments>> C :: 175.4600 CA :: 49.8600 CB :: 17.5300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2920 HA :: 4.4860 HB1 :: 1.1660 HB2 :: 1.1660 HB3 :: 1.1660 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.9700 Ave N Shift Values>> N :: 123.23(3.54) 1.P112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.8000 CA :: 63.2600 CB :: 31.8200 CD :: 50.3600 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 :: 4.5200 HD2 :: 3.4060 HD3 :: 3.6600 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.T113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.5600 CA :: 61.7000 CB :: 69.8800 CG2 :: 21.6400 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 :: 8.2320 HA :: 4.3990 HB :: 4.2960 HG21 :: 1.2630 HG22 :: 1.2630 HG23 :: 1.2630 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 :: 114.2000 Ave N Shift Values>> N :: 115.42(4.75) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.9000 CA :: 58.3600 CB :: 63.9700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3800 HA :: 4.6080 HB2 :: 3.9600 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.7800 Ave N Shift Values>> N :: 116.28(3.52) 1.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.0500 CA :: 62.0500 CB :: 69.4000 CG2 :: 21.5700 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 :: 8.2270 HA :: 4.3460 HB :: 4.2750 HG21 :: 1.2200 HG22 :: 1.2200 HG23 :: 1.2200 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.8100 Ave N Shift Values>> N :: 115.42(4.75) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 176.8300 CA :: 52.4400 CB :: 19.2900 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1950 HA :: 4.3040 HB1 :: 1.2840 HB2 :: 1.2840 HB3 :: 1.2840 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.5600 Ave N Shift Values>> N :: 123.23(3.54) 1.F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 F 0.48 C Shift Assignments>> C :: 174.0900 CA :: 55.7700 CB :: 39.3300 CD1 :: 132.1800 CE1 :: 131.4700 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 :: 8.0580 HA :: 4.8400 HB2 :: 3.0800 HB3 :: 2.9530 HD1 :: 7.2910 HE1 :: 7.2850 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 :: 119.5300 Ave N Shift Values>> N :: 120.45(4.18) 1.P118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.4600 CA :: 63.7400 CB :: 31.7300 CG :: 27.3200 CD :: 50.5400 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 :: 4.4120 HB2 :: 2.0200 HB3 :: 1.7940 HD2 :: 3.6660 HD3 :: 3.4480 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.Y119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.6200 CA :: 57.7600 CB :: 38.6500 CD1 :: 133.2700 CE1 :: 118.1500 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 :: 7.8760 HA :: 4.5760 HB2 :: 2.9760 HD1 :: 7.1070 HE1 :: 6.8070 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 :: 119.3600 Ave N Shift Values>> N :: 120.52(4.2) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 A 0.02 G 0.02 C Shift Assignments>> C :: 176.5700 CA :: 55.2900 CB :: 42.2600 CD1 :: 24.9300 CD2 :: 23.6400 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 :: 7.9170 HA :: 4.2540 HB2 :: 1.4900 HB3 :: 1.0990 HD11 :: 0.8760 HD12 :: 0.8760 HD13 :: 0.8760 HD21 :: 0.8250 HD22 :: 0.8250 HD23 :: 0.8250 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 :: 123.2300 Ave N Shift Values>> N :: 121.86(3.9) 1.Y121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.6200 CA :: 57.8300 CB :: 38.6500 CD1 :: 133.2700 CE1 :: 118.1500 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 :: 7.9610 HA :: 4.5280 HB2 :: 3.0390 HB3 :: 2.8660 HD1 :: 7.1070 HE1 :: 6.8070 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 :: 120.1200 Ave N Shift Values>> N :: 120.52(4.2) 1.S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K105 1.K105 C Shift Assignments>> C :: 172.9500 CA :: 58.0600 CB :: 63.8800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0390 HA :: 4.4220 HB2 :: 3.8080 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.8700 Ave N Shift Values>> N :: 116.28(3.52) 1.N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.17 F 0.04 L 0.03 Y 0.03 HN Overlap>> 1.L12 1.L12 C Shift Assignments>> C :: 173.6600 CA :: 51.3600 CB :: 38.9400 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 :: 8.4000 HA :: 4.9630 HB2 :: 2.8880 HB3 :: 2.6850 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.0500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.2400 CA :: 63.9700 CB :: 32.1800 CG :: 27.3200 CD :: 50.1800 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 :: 4.4510 HB2 :: 2.3190 HB3 :: 2.0300 HD2 :: 3.7820 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.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.2200 CA :: 58.2100 CB :: 63.1200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4200 HA :: 4.6740 HB2 :: 4.1500 HB3 :: 4.0940 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.9200 Ave N Shift Values>> N :: 116.28(3.52) 1.G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.9600 CA :: 45.6300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3100 HA2 :: 4.0140 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.4500 Ave N Shift Values>> N :: 109.67(3.87) 1.M127 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.55 A 0.35 I 0.08 HN Overlap>> 1.R11 1.R11 C Shift Assignments>> C :: 175.3800 CA :: 55.2800 CB :: 29.5400 CE :: 16.9800 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 :: 8.1220 HA :: 4.6990 HB2 :: 3.3590(S) HB3 :: 2.8410 HE1 :: 2.1240 HE2 :: 2.1240 HE3 :: 2.1240 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 :: 119.9700 Ave N Shift Values>> N :: 120.09(3.57) 1.S128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 178.5400 CA :: 60.1900 CB :: 64.8100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0360 HA :: 4.3150 HB2 :: 3.8910 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 :: 122.5400 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 119 #Clerical: 0 #Suspicious: 9 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 122 #Suspicious: 6 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 128 #Suspicious: 0 C Shift Results: #Consistent: 563 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 H Shift Results: #Consistent: 789 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 113 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K9 Typing: Suspicious 1.K9 CG = 29.6600(S), Expected = 24.89, Std = 1.1300, ChiSquare = 2.4296e-05 1.K28 Typing: Suspicious 1.K28 CG = 29.0600(S), Expected = 24.89, Std = 1.1300, ChiSquare = 2.2402e-04 1.K28 CD = 24.1700(S), Expected = 28.96, Std = 1.0800, ChiSquare = 9.1993e-06 1.E31 HA = 5.6530(S), Expected = 4.25, Std = 0.4100, ChiSquare = 6.2173e-04 1.L49 HD21 = -0.3300(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.5701e-04 1.L49 HD22 = -0.3300(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.5701e-04 1.L49 HD23 = -0.3300(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.5701e-04 1.K57 Typing: Suspicious 1.K57 CG = 29.5400(S), Expected = 24.89, Std = 1.1300, ChiSquare = 3.8711e-05 1.K57 CD = 24.9000(S), Expected = 28.96, Std = 1.0800, ChiSquare = 1.7042e-04 1.K73 Typing: Suspicious 1.K73 CG = 29.3200(S), Expected = 24.89, Std = 1.1300, ChiSquare = 8.8419e-05 1.K73 CD = 25.2000(S), Expected = 28.96, Std = 1.0800, ChiSquare = 4.9865e-04 1.K94 Typing: Suspicious 1.K94 CG = 29.7500(S), Expected = 24.89, Std = 1.1300, ChiSquare = 1.7012e-05 1.K105 Typing: Suspicious 1.K105 CG = 29.1700(S), Expected = 24.89, Std = 1.1300, ChiSquare = 1.5210e-04 1.K105 CD = 25.1300(S), Expected = 28.96, Std = 1.0800, ChiSquare = 3.9069e-04 1.M127 HB2 = 3.3590(S), Expected = 2.03, Std = 0.3400, ChiSquare = 9.2747e-05