Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.96 C 0.02 C Shift Assignments>> C :: 177.4330 CA :: 52.8670 CB :: 19.0850 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.3000 HB1 :: 1.3930 HB2 :: 1.3930 HB3 :: 1.3930 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 N 0.11 K 0.1 F 0.09 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 175.8800 CA :: 54.1770 CB :: 41.1370 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 :: 8.2550 HA :: 4.5840 HB2 :: 2.6850 HB3 :: 2.5520 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 :: 118.8380 Ave N Shift Values>> N :: 120.65(3.86) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.34 K 0.1 Q 0.1 I 0.01 C Shift Assignments>> CA :: 54.3190 CB :: 29.8180 CG :: 36.0600 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 :: 8.1030 HA :: 4.5690 HB2 :: 1.8800 HG2 :: 2.2680 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 :: 121.7770 Ave N Shift Values>> N :: 120.67(3.48) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> CA :: 63.5760 CB :: 32.2050 CG :: 27.2270 CD :: 49.6170 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 :: 4.3700 HB2 :: 1.9610 HB3 :: 2.3040 HG2 :: 2.0120 HG3 :: 2.0760 HD2 :: 3.5860 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.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.88 C 0.05 L 0.03 V 0.01 I 0.01 C Shift Assignments>> C :: 175.5440 CA :: 54.5050 CB :: 19.5460 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.0380 HB1 :: 1.4950 HB2 :: 1.4950 HB3 :: 1.4950 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.Y6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.31 C Shift Assignments>> C :: 173.3490 CA :: 55.2690 CB :: 39.1250 CD1 :: 133.6590 CD2 :: 133.6590 CE1 :: 117.7470 CE2 :: 117.7470 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 :: 6.9320 HA :: 4.6470 HB2 :: 3.0800 HB3 :: 2.8050 HD1 :: 6.8800 HD2 :: 6.8800 HE1 :: 6.7300 HE2 :: 6.7300 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 :: 107.9460 Ave N Shift Values>> N :: 120.52(4.2) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.15 A 0.12 R 0.09 G 0.07 C Shift Assignments>> C :: 176.1120 CA :: 52.9140 CB :: 43.1000 CG :: 27.2670 CD1 :: 25.8870 CD2 :: 22.5610 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 :: 8.8630 HA :: 4.7160 HB2 :: 1.5890 HG :: 1.3360 HD11 :: 0.2820 HD12 :: 0.2820 HD13 :: 0.2820 HD21 :: 0.6710 HD22 :: 0.6710 HD23 :: 0.6710 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 :: 120.0200 Ave N Shift Values>> N :: 121.86(3.9) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 C 0.35 C Shift Assignments>> C :: 177.1720 CA :: 59.7160 CB :: 71.7772 CG2 :: 22.3290 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 :: 7.4120 HA :: 4.7430 HB :: 4.3130 HG21 :: 1.2440 HG22 :: 1.2440 HG23 :: 1.2440 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 :: 106.3360 Ave N Shift Values>> N :: 115.42(4.75) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 176.6300 CA :: 65.4820 CB :: 32.0410 CG1 :: 21.4340 CG2 :: 23.1170 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 :: 8.8130 HA :: 3.3200 HB :: 1.9990 HG11 :: 1.0080 HG12 :: 1.0080 HG13 :: 1.0080 HG21 :: 1.0800 HG22 :: 1.0800 HG23 :: 1.0800 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 :: 122.9800 Ave N Shift Values>> N :: 121.14(4.54) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.3750 CA :: 44.5610 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.1130 HA2 :: 4.4530 HA3 :: 3.5550 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.1270 Ave N Shift Values>> N :: 109.67(3.87) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 173.9660 CA :: 64.6580 CB :: 69.4128 CG2 :: 21.5320 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 :: 7.5720 HA :: 5.1560 HB :: 3.9640 HG21 :: 1.2060 HG22 :: 1.2060 HG23 :: 1.2060 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.5140 Ave N Shift Values>> N :: 115.42(4.75) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.24 K 0.18 F 0.09 Y 0.06 R 0.05 C 0.05 N 0.04 C Shift Assignments>> C :: 173.2500 CA :: 54.9390 CB :: 41.7600 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 :: 8.6100 HA :: 5.1360 HB2 :: 2.7890 HB3 :: 2.5650 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 :: 127.3210 Ave N Shift Values>> N :: 120.65(3.86) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 V 0.03 I 0.02 A 0.01 C Shift Assignments>> C :: 174.5160 CA :: 58.8070 CB :: 36.3670 CG1 :: 22.7270 CG2 :: 18.0910 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 :: 8.7660 HA :: 5.0020 HB :: 2.0850 HG11 :: 0.6510 HG12 :: 0.6510 HG13 :: 0.6510 HG21 :: 0.4350 HG22 :: 0.4350 HG23 :: 0.4350 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 :: 115.5800 Ave N Shift Values>> N :: 121.14(4.54) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.4220 CA :: 57.5140 CB :: 64.9210 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8110 HA :: 5.3430 HB3 :: 3.5860 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 :: 115.0270 Ave N Shift Values>> N :: 116.28(3.52) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 A 0.32 C 0.16 K 0.03 C Shift Assignments>> C :: 175.8450 CA :: 50.6740 CB :: 23.0370 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.2450 HA :: 5.1490 HB1 :: 1.2910 HB2 :: 1.2910 HB3 :: 1.2910 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.4800 Ave N Shift Values>> N :: 123.23(3.54) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.41 R 0.11 C Shift Assignments>> C :: 175.7470 CA :: 56.7630 CB :: 32.0220 CG :: 24.7350 CD :: 28.8710 CE :: 41.6680 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 :: 8.7840 HA :: 4.0580 HB2 :: 1.5580 HB3 :: 1.2190 HG2 :: 0.7180 HG3 :: 0.8750 HD2 :: 1.2810 HE2 :: 2.5810 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.2890 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 175.7380 CA :: 57.3450 CB :: 40.3960 CD1 :: 132.3800 CD2 :: 132.3800 CE1 :: 117.7200 CE2 :: 117.7200 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.9200 HA :: 4.4590 HB3 :: 2.4800 HD1 :: 6.6340 HD2 :: 6.6340 HE1 :: 6.5740 HE2 :: 6.5740 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 :: 127.5360 Ave N Shift Values>> N :: 120.52(4.2) 1.R18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.34 L 0.27 R 0.23 G 0.12 K 0.01 C Shift Assignments>> CA :: 56.9730 CB :: 27.4700 CG :: 26.8750 CD :: 43.7750 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 :: 8.8620 HA :: 3.5400 HB2 :: 1.6450 HB3 :: 1.3890 HG2 :: 0.2730(S) HG3 :: 0.9420 HD2 :: 2.8030 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.3910 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.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.2410 CA :: 45.5550 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4210 HA2 :: 3.4660 HA3 :: 4.0860 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.8030 Ave N Shift Values>> N :: 109.67(3.87) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 L 0.15 C 0.08 C Shift Assignments>> C :: 175.9250 CA :: 50.5960 CB :: 21.8420 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6280 HA :: 4.6790 HB1 :: 1.3750 HB2 :: 1.3750 HB3 :: 1.3750 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.3450 Ave N Shift Values>> N :: 123.23(3.54) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.36 C 0.2 HN Overlap>> 1.F72 1.F72 C Shift Assignments>> C :: 176.5340 CA :: 59.6400 CB :: 39.5260 CD1 :: 131.5260 CD2 :: 131.5260 CE1 :: 131.6980 CE2 :: 131.6980 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 :: 8.8250 HA :: 4.6830 HB2 :: 2.8160 HB3 :: 2.8680 HD1 :: 7.0490 HD2 :: 7.0490 HE1 :: 7.2850 HE2 :: 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 :: 120.4810 Ave N Shift Values>> N :: 120.45(4.18) 1.C22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.15 R 0.14 W 0.13 H 0.12 E 0.11 Q 0.05 V 0.05 C Shift Assignments>> C :: 173.4420 CA :: 57.9480 CB :: 31.7960 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.1900 HA :: 4.9330 HB2 :: 2.9770 HB3 :: 3.2300 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.4070 Ave N Shift Values>> N :: 120.17(4.64) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 C 0.44 I 0.06 K 0.03 Q 0.01 HN Overlap>> 1.E74 1.E74 1.Q46 1.Q46 C Shift Assignments>> C :: 175.7770 CA :: 57.3360 CB :: 30.4040 CG :: 36.9570 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 :: 8.8590 HA :: 4.6690 HB2 :: 2.1300 HB3 :: 2.0580 HG2 :: 2.3500 HG3 :: 2.4360 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.5840 Ave N Shift Values>> N :: 120.67(3.48) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 A 0.29 C 0.17 K 0.04 C Shift Assignments>> C :: 175.5970 CA :: 50.7320 CB :: 23.1220 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0280 HA :: 4.7740 HB1 :: 0.5190 HB2 :: 0.5190 HB3 :: 0.5190 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.2600 Ave N Shift Values>> N :: 123.23(3.54) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 K 0.35 R 0.04 A 0.01 C Shift Assignments>> C :: 177.3120 CA :: 54.4730 CB :: 36.6230 CG :: 24.4230 CD :: 29.3390 CE :: 41.5120 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 :: 7.7750 HA :: 5.1980 HB2 :: 1.4370 HB3 :: 1.5460 HG2 :: 1.3210 HD2 :: 1.5360 HE2 :: 2.9730 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 :: 117.8810 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 175.5640 CA :: 63.2180 CB :: 37.1610 CG1 :: 27.8560 CG2 :: 19.1170 CD1 :: 13.9359 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 :: 8.2630 HA :: 3.9310 HB :: 2.0180 HG12 :: 1.6340 HG13 :: 0.8640 HG21 :: 0.8660 HG22 :: 0.8660 HG23 :: 0.8660 HD11 :: 0.5180 HD12 :: 0.5180 HD13 :: 0.5180 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 :: 121.3810 Ave N Shift Values>> N :: 121.46(4.28) 1.K27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.56 K 0.42 C Shift Assignments>> C :: 175.3450 CA :: 57.9100 CB :: 35.3900 CG :: 24.5790 CE :: 41.8240 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 :: 9.7890 HA :: 4.5070 HB2 :: 1.7730 HB3 :: 1.5360 HG2 :: 1.4280 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 :: 133.6220(S) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.62 C 0.37 C Shift Assignments>> C :: 172.1600 CA :: 61.4080 CB :: 72.2575 CG2 :: 22.7840 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 :: 7.7520 HA :: 4.6190 HB :: 3.8950 HG21 :: 1.2050 HG22 :: 1.2050 HG23 :: 1.2050 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.4110 Ave N Shift Values>> N :: 115.42(4.75) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 175.0010 CA :: 61.4260 CB :: 35.3600 CG1 :: 19.9570 CG2 :: 21.4580 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 :: 8.9510 HA :: 4.5190 HB :: 2.0250 HG11 :: 0.8030 HG12 :: 0.8030 HG13 :: 0.8030 HG21 :: 1.0450 HG22 :: 1.0450 HG23 :: 1.0450 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.5420 Ave N Shift Values>> N :: 121.14(4.54) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.33 R 0.31 C Shift Assignments>> C :: 175.2530 CA :: 54.5490 CB :: 32.4100 CG :: 24.5010 CD :: 27.1540 CE :: 42.0580 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 :: 8.5700 HA :: 4.6340 HB2 :: 1.7390 HB3 :: 1.9900 HG2 :: 1.3950 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 :: 130.1310 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.44 C 0.39 K 0.13 G 0.01 C Shift Assignments>> C :: 176.4210 CA :: 56.7240 CB :: 31.2260 CG :: 26.9980 CD :: 42.6040 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 :: 8.5950 HA :: 4.0170 HB2 :: 1.4140 HG2 :: 1.5830 HD2 :: 2.1900(S) HD3 :: 2.2200(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 :: 127.4650 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.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.35 R 0.14 G 0.06 C Shift Assignments>> C :: 173.0770 CA :: 56.6370 CB :: 43.3330 CG :: 28.2000 CD1 :: 25.0470 CD2 :: 23.8230 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 :: 8.6160 HA :: 4.3590 HB2 :: 1.5350 HG :: 1.3390 HD11 :: 0.8660 HD12 :: 0.8660 HD13 :: 0.8660 HD21 :: 0.9400 HD22 :: 0.9400 HD23 :: 0.9400 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 :: 131.0590 Ave N Shift Values>> N :: 121.86(3.9) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.48 C Shift Assignments>> C :: 175.1230 CA :: 60.6560 CB :: 34.2050 CG1 :: 21.7370 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 :: 9.0380 HA :: 4.7910 HB :: 1.9200 HG11 :: 0.8740 HG12 :: 0.8740 HG13 :: 0.8740 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 :: 127.1210 Ave N Shift Values>> N :: 121.14(4.54) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 Q 0.23 C 0.21 R 0.1 H 0.1 W 0.06 E 0.03 V 0.01 HN Overlap>> 1.L105 1.V59 1.L105 1.V59 C Shift Assignments>> C :: 175.6690 CA :: 55.1870 CB :: 33.1570 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 :: 8.9600 HA :: 4.6600 HB3 :: 1.7340 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.6900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 174.0800 CA :: 61.1350 CB :: 33.0200 CG1 :: 22.8620 CG2 :: 20.1310 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 :: 9.3190 HA :: 4.4910 HB :: 1.9860 HG11 :: 0.7500 HG12 :: 0.7500 HG13 :: 0.7500 HG21 :: 0.6960 HG22 :: 0.6960 HG23 :: 0.6960 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 :: 127.0840 Ave N Shift Values>> N :: 121.14(4.54) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.25 K 0.2 E 0.09 H 0.04 R 0.04 W 0.02 Y 0.01 V 0.01 N 0.01 C Shift Assignments>> C :: 176.2060 CA :: 55.3800 CB :: 34.4320 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 :: 8.9750 HA :: 5.1680 HB2 :: 1.8340 HB3 :: 1.5820 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 :: 129.4210 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.06 A 0.03 C Shift Assignments>> C :: 173.7160 CA :: 58.1330 CB :: 35.0470 CG1 :: 18.5700 CG2 :: 22.2380 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 :: 9.2420 HA :: 5.3170 HB :: 1.8490 HG11 :: 0.7480 HG12 :: 0.7480 HG13 :: 0.7480 HG21 :: 0.6430 HG22 :: 0.6430 HG23 :: 0.6430 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.0900 Ave N Shift Values>> N :: 121.14(4.54) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 G 0.2 C 0.15 R 0.05 A 0.01 C Shift Assignments>> C :: 177.2360 CA :: 53.1500 CB :: 43.9070 CG :: 27.4660 CD1 :: 25.4920 CD2 :: 24.0330 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 :: 8.9490 HA :: 4.9530 HB2 :: 1.3570 HB3 :: 1.6860 HG :: 1.3390 HD11 :: 0.7850 HD12 :: 0.7850 HD13 :: 0.7850 HD21 :: 0.7300 HD22 :: 0.7300 HD23 :: 0.7300 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 :: 123.3770 Ave N Shift Values>> N :: 121.86(3.9) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.35 A 0.01 HN Overlap>> 1.A75 1.A75 C Shift Assignments>> C :: 177.8980 CA :: 55.3320 CB :: 40.6950 CG :: 27.8560 CD1 :: 25.1250 CD2 :: 23.4860 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 :: 9.3410 HA :: 4.3760 HB2 :: 2.0630 HB3 :: 1.6340 HG :: 1.6350 HD11 :: 0.8220 HD12 :: 0.8220 HD13 :: 0.8220 HD21 :: 0.6760 HD22 :: 0.6760 HD23 :: 0.6760 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.6520 Ave N Shift Values>> N :: 121.86(3.9) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.44 R 0.1 C Shift Assignments>> C :: 179.0760 CA :: 58.7860 CB :: 32.7930 CG :: 24.9690 CD :: 28.9490 CE :: 42.1360 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 :: 8.1730 HA :: 4.0220 HB2 :: 1.6920 HB3 :: 1.7950 HG2 :: 1.4540 HG3 :: 1.3960 HD2 :: 1.6490 HE2 :: 2.9330 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 :: 124.5300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.26 Q 0.25 R 0.08 E 0.03 I 0.01 C Shift Assignments>> C :: 177.0070 CA :: 58.6780 CB :: 28.3510 CG :: 33.5530 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.1380 HA :: 4.0780 HB2 :: 2.1540 HB3 :: 1.9880 HG2 :: 2.3590 HE21 :: 6.9430 HE22 :: 7.5700 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 :: 116.3350 NE2 :: 112.2150 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.26 K 0.12 N 0.07 R 0.05 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 175.9500 CA :: 53.3030 CB :: 41.9090 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 :: 7.2080 HA :: 4.6830 HB2 :: 2.5310 HB3 :: 2.9270 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 :: 113.5390 Ave N Shift Values>> N :: 120.65(3.86) 1.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.16 Y 0.15 F 0.12 D 0.1 E 0.04 L 0.03 I 0.01 C Shift Assignments>> C :: 174.6560 CA :: 54.7220 CB :: 38.1430 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 :: 8.1790 HA :: 4.4830 HB2 :: 3.1570 HB3 :: 2.7250 HD21 :: 6.7780 HD22 :: 7.5880 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 :: 115.5020 ND2 :: 112.5610 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 173.7360 CA :: 61.0910 CB :: 71.3339 CG2 :: 21.5380 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 :: 7.6970 HA :: 4.5300 HB :: 4.1850 HG21 :: 1.1500 HG22 :: 1.1500 HG23 :: 1.1500 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.3950 Ave N Shift Values>> N :: 115.42(4.75) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 175.0190 CA :: 60.8270 CB :: 71.0753 CG2 :: 21.6140 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 :: 8.3950 HA :: 5.5730 HB :: 3.9750 HG21 :: 1.1430 HG22 :: 1.1430 HG23 :: 1.1430 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 :: 114.4760 Ave N Shift Values>> N :: 115.42(4.75) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 Q 0.28 E 0.04 HN Overlap>> 1.E74 1.E23 1.E74 1.E23 C Shift Assignments>> C :: 172.9750 CA :: 54.3700 CB :: 32.5530 CG :: 33.5660 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 :: 8.8160 HA :: 4.6310 HB2 :: 1.5920 HB3 :: 1.9830 HG2 :: 2.1980 HE21 :: 6.8360 HE22 :: 7.3100 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.6210 NE2 :: 110.8420 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.19 G 0.07 R 0.04 C Shift Assignments>> C :: 176.5250 CA :: 53.8180 CB :: 43.1730 CG :: 27.2980 CD1 :: 24.8810 CD2 :: 24.3980 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 :: 8.5780 HA :: 5.1900 HB2 :: 1.7390 HB3 :: 1.4460 HG :: 1.4680 HD11 :: 0.8610 HD12 :: 0.8610 HD13 :: 0.8610 HD21 :: 0.8290 HD22 :: 0.8290 HD23 :: 0.8290 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 :: 125.0350 Ave N Shift Values>> N :: 121.86(3.9) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.08 A 0.01 C Shift Assignments>> C :: 174.7210 CA :: 58.8350 CB :: 35.4560 CG1 :: 18.7260 CG2 :: 21.7700 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 :: 9.2170 HA :: 4.8390 HB :: 2.2730 HG11 :: 0.6690 HG12 :: 0.6690 HG13 :: 0.6690 HG21 :: 0.8150 HG22 :: 0.8150 HG23 :: 0.8150 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.2140 Ave N Shift Values>> N :: 121.14(4.54) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.28 Q 0.28 K 0.1 C Shift Assignments>> C :: 177.9050 CA :: 54.9000 CB :: 30.6560 CG :: 34.9570 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 :: 8.3520 HA :: 5.1850 HB2 :: 2.1700 HB3 :: 2.2960 HG2 :: 2.5100 HG3 :: 2.3160 HE21 :: 6.8420 HE22 :: 8.1620 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 :: 118.6500 NE2 :: 113.3790 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.22 K 0.12 L 0.11 C 0.1 D 0.07 I 0.06 C Shift Assignments>> C :: 176.5380 CA :: 57.9770 CB :: 40.9010 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 :: 8.7400 HA :: 3.9920 HB2 :: 2.7480 HB3 :: 2.6230 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 :: 119.6270 Ave N Shift Values>> N :: 120.65(3.86) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 N 0.2 F 0.17 Y 0.17 C 0.11 L 0.09 I 0.01 C Shift Assignments>> C :: 177.1720 CA :: 55.2370 CB :: 39.3580 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 :: 8.2750 HA :: 4.5600 HB2 :: 2.6720 HB3 :: 2.9050 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 :: 116.6880 Ave N Shift Values>> N :: 120.65(3.86) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.26 E 0.24 K 0.18 C Shift Assignments>> C :: 174.6220 CA :: 55.2210 CB :: 29.8990 CG :: 34.8790 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 :: 8.1150 HA :: 4.4500 HB2 :: 2.5300 HB3 :: 2.2590 HG2 :: 2.3930 HE21 :: 7.6480 HE22 :: 6.9430 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 :: 117.8400 NE2 :: 113.6420 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 174.9350 CA :: 61.6550 CB :: 33.9400 CG1 :: 21.7360 CG2 :: 22.1320 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 :: 7.6100 HA :: 4.5970 HB :: 2.1060 HG11 :: 0.6750 HG12 :: 0.6750 HG13 :: 0.6750 HG21 :: 0.7560 HG22 :: 0.7560 HG23 :: 0.7560 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 :: 118.8820 Ave N Shift Values>> N :: 121.14(4.54) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.39 R 0.03 C Shift Assignments>> C :: 175.3450 CA :: 55.3590 CB :: 33.8280 CG :: 24.3450 CD :: 29.1830 CE :: 41.5900 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 :: 9.3150 HA :: 4.7310 HB2 :: 1.7150 HB3 :: 1.6430 HG2 :: 1.1890 HD2 :: 1.3300 HE2 :: 2.5010 HE3 :: 2.3920 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 :: 128.2460 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.29 G 0.1 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 HN Overlap>> 1.S84 1.S84 C Shift Assignments>> C :: 178.2700 CA :: 43.5340 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4070 HA2 :: 4.6560 HA3 :: 3.8660 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.4070 Ave N Shift Values>> N :: 109.67(3.87) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.34 C Shift Assignments>> C :: 175.5910 CA :: 62.4410 CB :: 32.2220 CG :: 27.3100 CD :: 49.4100 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 :: 4.2730 HB2 :: 1.6310 HB3 :: 2.1570 HG2 :: 1.9970 HG3 :: 2.1010 HD2 :: 3.5560 HD3 :: 3.6160 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.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.27 A 0.12 C Shift Assignments>> C :: 175.0910 CA :: 52.3720 CB :: 39.8730 CG :: 26.0620 CD1 :: 23.4080 CD2 :: 26.0620 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 :: 8.1680 HA :: 4.2700 HB2 :: 1.2050 HB3 :: 1.8200 HG :: 1.8020 HD11 :: 0.7530 HD12 :: 0.7530 HD13 :: 0.7530 HD21 :: 0.9630 HD22 :: 0.9630 HD23 :: 0.9630 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 :: 119.9700 Ave N Shift Values>> N :: 121.86(3.9) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.39 K 0.11 G 0.09 C Shift Assignments>> C :: 174.9540 CA :: 54.3510 CB :: 33.5350 CG :: 27.1540 CD :: 43.2290 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 :: 7.2730 HA :: 4.4900 HB2 :: 1.5050 HB3 :: 1.5700 HG2 :: 1.4790 HD2 :: 3.1570 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.1150 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.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> 1.L105 1.L105 1.K34 1.K34 C Shift Assignments>> C :: 177.3940 CA :: 66.2120 CB :: 30.9770 CG1 :: 21.3020 CG2 :: 23.0960 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 :: 9.0020 HA :: 3.2620 HB :: 1.9070 HG11 :: 0.9020 HG12 :: 0.9020 HG13 :: 0.9020 HG21 :: 0.9540 HG22 :: 0.9540 HG23 :: 0.9540 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 :: 125.7150 Ave N Shift Values>> N :: 121.14(4.54) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.5290 CA :: 44.7440 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.1270 HA2 :: 4.3850 HA3 :: 3.5360 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.6350 Ave N Shift Values>> N :: 109.67(3.87) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 L 0.05 C 0.04 C Shift Assignments>> C :: 176.2200 CA :: 52.5560 CB :: 20.5090 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9790 HA :: 4.2980 HB1 :: 1.4380 HB2 :: 1.4380 HB3 :: 1.4380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.9300 Ave N Shift Values>> N :: 123.23(3.54) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 176.6550 CA :: 60.9220 CB :: 37.3800 CG1 :: 28.2460 CG2 :: 17.7120 CD1 :: 13.1361 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 :: 8.0310 HA :: 4.7790 HB :: 1.8130 HG12 :: 1.6820 HG13 :: 1.1750 HG21 :: 0.9650 HG22 :: 0.9650 HG23 :: 0.9650 HD11 :: 0.9130 HD12 :: 0.9130 HD13 :: 0.9130 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.9450 Ave N Shift Values>> N :: 121.46(4.28) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 V 0.02 C Shift Assignments>> C :: 174.5340 CA :: 58.9740 CB :: 35.7710 CG1 :: 22.0040 CG2 :: 17.2440 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 :: 9.1670 HA :: 4.9560 HB :: 2.1530 HG11 :: 0.8080 HG12 :: 0.8080 HG13 :: 0.8080 HG21 :: 0.4840 HG22 :: 0.4840 HG23 :: 0.4840 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 :: 121.1150 Ave N Shift Values>> N :: 121.14(4.54) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 E 0.11 C Shift Assignments>> C :: 176.1870 CA :: 54.5430 CB :: 33.6200 CG :: 37.2200 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 :: 8.3770 HA :: 5.2890 HB2 :: 1.8540 HB3 :: 2.0090 HG2 :: 2.2380 HG3 :: 2.0200 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 :: 117.5580 Ave N Shift Values>> N :: 120.67(3.48) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 173.1050 CA :: 59.4300 CB :: 71.1122 CG2 :: 21.7700 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 :: 9.3590 HA :: 5.4500 HB :: 3.8220 HG21 :: 0.9600 HG22 :: 0.9600 HG23 :: 0.9600 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 :: 115.9750 Ave N Shift Values>> N :: 115.42(4.75) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 G 0.06 K 0.05 C Shift Assignments>> C :: 177.0790 CA :: 56.1240 CB :: 30.9220 CG :: 27.1540 CD :: 43.3850 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 :: 8.5480 HA :: 4.1520 HB2 :: 1.3660 HB3 :: 1.6080 HG2 :: 0.9600 HG3 :: 1.4190 HD2 :: 2.9260 HD3 :: 3.0100 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 :: 127.0210 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.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 177.2140 CA :: 60.8080 CB :: 70.5950 CG2 :: 21.9340 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 :: 8.5340 HA :: 4.6320 HB :: 4.4910 HG21 :: 1.1090 HG22 :: 1.1090 HG23 :: 1.1090 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.8400 Ave N Shift Values>> N :: 115.42(4.75) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.1340 CA :: 61.5430 CB :: 62.9340 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 3.9560 HB3 :: 4.1390 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.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.29 L 0.13 F 0.08 Y 0.06 C 0.06 K 0.01 C Shift Assignments>> C :: 177.0780 CA :: 53.4190 CB :: 40.2200 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 :: 7.9010 HA :: 4.6500 HB2 :: 2.9840 HB3 :: 2.5840 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 :: 118.7280 Ave N Shift Values>> N :: 120.65(3.86) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.0470 CA :: 45.0670 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1420 HA2 :: 3.4740 HA3 :: 4.3030 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.5730 Ave N Shift Values>> N :: 109.67(3.87) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.3260 CA :: 57.9660 CB :: 64.1500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9950 HA :: 4.4690 HB2 :: 4.6410 HB3 :: 3.9030 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 :: 117.0240 Ave N Shift Values>> N :: 116.28(3.52) 1.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 Y 0.37 C 0.15 HN Overlap>> 1.F21 1.F21 C Shift Assignments>> C :: 176.3920 CA :: 57.8290 CB :: 41.4890 CD1 :: 131.7170 CD2 :: 131.7170 CE1 :: 131.7650 CE2 :: 131.7650 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 :: 8.8270 HA :: 5.2760 HB3 :: 2.8910 HD1 :: 7.0830 HD2 :: 7.0830 HE1 :: 7.2840 HE2 :: 7.2840 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 :: 120.4030 Ave N Shift Values>> N :: 120.45(4.18) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 Q 0.25 E 0.03 C Shift Assignments>> C :: 174.9160 CA :: 53.6570 CB :: 32.6570 CG :: 33.4920 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.0810 HA :: 4.8870 HB2 :: 2.1360 HB3 :: 1.8290 HG2 :: 2.3420 HG3 :: 2.2460 HE21 :: 7.5630 HE22 :: 6.8590 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 :: 119.8000 NE2 :: 112.4960 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 E 0.34 I 0.04 HN Overlap>> 1.E23 1.Q46 1.E23 1.Q46 C Shift Assignments>> C :: 176.4010 CA :: 57.4120 CB :: 31.2530 CG :: 37.6200 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 :: 8.8250 HA :: 4.7730 HB2 :: 1.9600 HB3 :: 2.1110 HG2 :: 2.4320 HG3 :: 2.1910 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.6210 Ave N Shift Values>> N :: 120.67(3.48) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 P 0.19 C 0.17 K 0.11 A 0.02 R 0.01 HN Overlap>> 1.L39 1.L39 C Shift Assignments>> C :: 174.1600 CA :: 50.9780 CB :: 24.5030 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.3240 HA :: 5.1750 HB1 :: 1.1790 HB2 :: 1.1790 HB3 :: 1.1790 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.7630 Ave N Shift Values>> N :: 123.23(3.54) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.41 HN Overlap>> 1.R99 1.R99 C Shift Assignments>> C :: 177.1500 CA :: 59.1170 CB :: 41.8900 CG1 :: 28.5910 CG2 :: 17.4590 CD1 :: 13.9635 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 :: 8.6490 HA :: 5.2220 HB :: 1.6030 HG12 :: 1.4870 HG13 :: 1.0120 HG21 :: 0.8170 HG22 :: 0.8170 HG23 :: 0.8170 HD11 :: 0.8640 HD12 :: 0.8640 HD13 :: 0.8640 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.3350 Ave N Shift Values>> N :: 121.46(4.28) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 176.7390 CA :: 63.9870 CB :: 37.0240 CG1 :: 28.4350 CG2 :: 18.1820 CD1 :: 15.0392 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 :: 8.3490 HA :: 4.0980 HB :: 2.2410 HG12 :: 1.8500 HG21 :: 0.7310 HG22 :: 0.7310 HG23 :: 0.7310 HD11 :: 1.0120 HD12 :: 1.0120 HD13 :: 1.0120 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 :: 124.6190 Ave N Shift Values>> N :: 121.46(4.28) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1180 CA :: 58.9070 CB :: 64.7270 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.7100 HA :: 4.6990 HB2 :: 3.6370 HB3 :: 3.6900 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 :: 126.7800 Ave N Shift Values>> N :: 116.28(3.52) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.23 R 0.21 G 0.01 C Shift Assignments>> C :: 173.0100 CA :: 56.6730 CB :: 36.8650 CG :: 25.0880 CD :: 29.2910 CE :: 42.2910 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 :: 7.8680 HA :: 4.3820 HB2 :: 1.8260 HB3 :: 1.6790 HG2 :: 1.4560 HG3 :: 1.3790 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.1770 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 C 0.2 L 0.2 C Shift Assignments>> C :: 175.8190 CA :: 54.1060 CB :: 45.5530 CG :: 27.2700 CD1 :: 26.4110 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 :: 8.6920 HA :: 5.0260 HB2 :: 1.3040 HB3 :: 1.6740 HG :: 0.8900 HD11 :: 0.7700 HD12 :: 0.7700 HD13 :: 0.7700 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 :: 125.1020 Ave N Shift Values>> N :: 121.86(3.9) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 173.0180 CA :: 61.7540 CB :: 71.8511 CG2 :: 21.3190 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 :: 8.7500 HA :: 4.5460 HB :: 3.9230 HG21 :: 1.1690 HG22 :: 1.1690 HG23 :: 1.1690 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 :: 118.1060 Ave N Shift Values>> N :: 115.42(4.75) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.22 F 0.14 Y 0.14 L 0.11 C 0.09 I 0.01 C Shift Assignments>> CA :: 54.8290 CB :: 39.6340 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 :: 9.3390 HA :: 4.8400 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.5990 Ave N Shift Values>> N :: 120.65(3.86) 1.A83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> A 0.98 C 0.01 C Shift Assignments>> C :: 176.5600 CA :: 50.7760 CB :: 18.9060 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.1130 HA :: 4.6800 HB1 :: 1.2530 HB2 :: 1.2530 HB3 :: 1.2530 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 136.1520(S) Ave N Shift Values>> N :: 123.23(3.54) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.G55 1.G55 C Shift Assignments>> C :: 173.8080 CA :: 59.7660 CB :: 63.3510 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3170 HA :: 4.4750 HB2 :: 3.1790 HB3 :: 3.6560 HG :: 6.2200 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 :: 116.3690 Ave N Shift Values>> N :: 116.28(3.52) 1.W85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.49 C Shift Assignments>> C :: 175.6080 CA :: 56.5580 CB :: 31.8650 CD1 :: 127.5990 CE3 :: 120.5980 CZ2 :: 114.6650 CZ3 :: 122.3100 CH2 :: 124.8940 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 :: 8.0770 HA :: 4.7990 HB3 :: 2.8840 HD1 :: 7.1920 HE1 :: 10.1400 HE3 :: 7.3460 HZ2 :: 7.4770 HZ3 :: 7.0890 HH2 :: 7.2180 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 :: 119.7230 NE1 :: 129.5540 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> CA :: 57.6390 CB :: 40.7420 CD1 :: 133.3400 CD2 :: 133.3400 CE1 :: 117.7100 CE2 :: 117.7100 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 :: 9.6100 HA :: 4.9920 HB2 :: 2.8410 HB3 :: 2.5450 HD1 :: 6.9200 HD2 :: 6.9200 HE1 :: 6.7300 HE2 :: 6.7300 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 :: 124.3090 Ave N Shift Values>> N :: 120.52(4.2) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.2900 CA :: 62.6600 CB :: 68.8217 CG2 :: 21.7360 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 :: 9.3250 HA :: 5.3100 HB :: 4.0990 HG21 :: 1.1280 HG22 :: 1.1280 HG23 :: 1.1280 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 :: 122.6570 Ave N Shift Values>> N :: 115.42(4.75) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.28 A 0.03 C Shift Assignments>> C :: 172.7260 CA :: 58.0710 CB :: 33.4040 CG1 :: 21.9260 CG2 :: 19.4290 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 :: 9.4420 HA :: 5.0830 HB :: 1.4900 HG11 :: 0.5400 HG12 :: 0.5400 HG13 :: 0.5400 HG21 :: 0.3560 HG22 :: 0.3560 HG23 :: 0.3560 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.6130 Ave N Shift Values>> N :: 121.14(4.54) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.33 C Shift Assignments>> C :: 176.1760 CA :: 59.3600 CB :: 34.7820 CG1 :: 20.1310 CG2 :: 21.8480 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 :: 8.4350 HA :: 4.9180 HB :: 1.7750 HG11 :: 0.9930 HG12 :: 0.9930 HG13 :: 0.9930 HG21 :: 1.0000 HG22 :: 1.0000 HG23 :: 1.0000 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 :: 119.2860 Ave N Shift Values>> N :: 121.14(4.54) 1.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.4 C 0.17 C Shift Assignments>> C :: 177.7310 CA :: 58.0650 CB :: 40.3170 CD1 :: 132.1350 CD2 :: 132.1350 CE1 :: 130.6230 CE2 :: 130.6230 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 :: 8.7350 HA :: 4.7470 HB2 :: 2.8180 HB3 :: 3.2950 HD1 :: 6.9660 HD2 :: 6.9660 HE1 :: 6.7840 HE2 :: 6.7840 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 :: 127.9340 Ave N Shift Values>> N :: 120.45(4.18) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.22 L 0.13 D 0.1 C 0.1 K 0.08 I 0.05 N 0.01 C Shift Assignments>> CA :: 57.4710 CB :: 40.6590 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 :: 9.2760 HA :: 4.3570 HB2 :: 2.7760 HB3 :: 2.8430 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 :: 121.6030 Ave N Shift Values>> N :: 120.65(3.86) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.3 L 0.13 F 0.08 Y 0.07 C 0.06 K 0.01 C Shift Assignments>> C :: 177.6180 CA :: 53.4760 CB :: 40.1280 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 :: 8.0180 HA :: 4.5740 HB2 :: 2.7070 HB3 :: 3.0720 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 :: 116.2730 Ave N Shift Values>> N :: 120.65(3.86) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.4060 CA :: 45.0530 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3470 HA2 :: 3.5750 HA3 :: 4.3490 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.0420 Ave N Shift Values>> N :: 109.67(3.87) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.23 K 0.13 F 0.1 Y 0.07 N 0.07 C 0.05 R 0.02 C Shift Assignments>> C :: 174.6200 CA :: 54.7450 CB :: 41.3030 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 :: 4.7020 HB2 :: 3.0070 HB3 :: 2.6750 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 :: 123.1820 Ave N Shift Values>> N :: 120.65(3.86) 1.E95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.86 E 0.12 Q 0.01 C Shift Assignments>> C :: 177.6400 CA :: 54.2310 CB :: 33.8650 CG :: 36.2060 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 :: 8.3870 HA :: 5.7860(S) HB2 :: 1.7750 HB3 :: 1.8460 HG2 :: 2.2540 HG3 :: 2.0950 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 :: 118.1490 Ave N Shift Values>> N :: 120.67(3.48) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 R 0.16 K 0.14 G 0.12 C Shift Assignments>> C :: 174.7210 CA :: 54.0260 CB :: 35.1780 CG :: 27.3880 CD :: 43.0730 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 :: 8.5190 HA :: 4.8650 HB2 :: 1.8800 HB3 :: 1.6490 HD2 :: 3.5840 HD3 :: 3.2970 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 :: 119.8340 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.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.0230 CA :: 62.8040 CB :: 69.4867 CG2 :: 22.2380 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.0080 HA :: 5.4410 HB :: 3.9380 HG21 :: 1.1700 HG22 :: 1.1700 HG23 :: 1.1700 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 :: 120.3850 Ave N Shift Values>> N :: 115.42(4.75) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 G 0.14 L 0.1 A 0.07 C Shift Assignments>> C :: 175.8440 CA :: 53.9070 CB :: 47.9070 CG :: 26.8780 CD1 :: 23.7650 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 :: 9.7030 HA :: 5.1900 HB2 :: 1.9200 HB3 :: 1.6550 HG :: 0.9210 HD11 :: 1.1320 HD12 :: 1.1320 HD13 :: 1.1320 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 :: 128.2260 Ave N Shift Values>> N :: 121.86(3.9) 1.R99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 R 0.31 K 0.29 HN Overlap>> 1.I76 1.I76 C Shift Assignments>> C :: 178.1080 CA :: 53.4160 CB :: 31.2620 CG :: 26.4890 CD :: 41.7460 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 :: 8.6810 HA :: 4.6180 HB2 :: 2.1470 HB3 :: 1.7070 HG2 :: 1.3260 HG3 :: 1.1470 HD2 :: 2.3300(S) HD3 :: 2.5940 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 :: 118.4180 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.R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.16 C 0.15 R 0.14 H 0.14 Q 0.11 K 0.07 I 0.02 V 0.01 C Shift Assignments>> C :: 177.7290 CA :: 57.8990 CB :: 30.2140 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 :: 9.9520 HA :: 3.8350 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 :: 120.5660 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.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.11 C Shift Assignments>> C :: 176.1690 CA :: 62.9610 CB :: 68.5631 CG2 :: 22.5500 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 :: 7.4200 HA :: 4.2830 HB :: 4.4830 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 :: 102.8960 Ave N Shift Values>> N :: 115.42(4.75) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.8560 CA :: 59.2750 CB :: 64.9450 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8820 HA :: 4.7620 HB2 :: 4.1120 HB3 :: 4.4430 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 :: 116.8550 Ave N Shift Values>> N :: 116.28(3.52) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.31 C 0.15 C Shift Assignments>> C :: 175.9800 CA :: 53.4490 CB :: 44.7270 CD1 :: 24.8910 CD2 :: 26.0610 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 :: 7.9470 HA :: 5.2010 HB2 :: 1.0400 HB3 :: 1.7670 HD11 :: 0.6010 HD12 :: 0.6010 HD13 :: 0.6010 HD21 :: 0.3170 HD22 :: 0.3170 HD23 :: 0.3170 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 :: 119.2860 Ave N Shift Values>> N :: 121.86(3.9) 1.C104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.15 W 0.15 H 0.14 Q 0.14 R 0.13 C 0.13 K 0.11 I 0.01 C Shift Assignments>> C :: 174.2840 CA :: 57.1060 CB :: 29.8030 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.8630 HA :: 4.8190 HB2 :: 2.7420 HB3 :: 2.5970 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.9600 Ave N Shift Values>> N :: 120.17(4.64) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.28 R 0.02 A 0.02 HN Overlap>> 1.V59 1.K34 1.V59 1.K34 C Shift Assignments>> CA :: 55.0000 CB :: 41.9000 CG :: 27.0760 CD1 :: 23.4660 CD2 :: 24.9700 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 :: 8.9680 HA :: 4.4040 HB3 :: 1.6200 HG :: 1.6230 HD11 :: 0.8220 HD12 :: 0.8220 HD13 :: 0.8220 HD21 :: 0.9200 HD22 :: 0.9200 HD23 :: 0.9200 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 :: 125.7150 Ave N Shift Values>> N :: 121.86(3.9) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.21 K 0.2 R 0.12 H 0.1 W 0.1 Q 0.09 E 0.08 V 0.05 C Shift Assignments>> C :: 177.3390 CA :: 57.7120 CB :: 32.4410 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>> HA :: 4.3010 HB2 :: 1.8990 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) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.1400 CA :: 45.1570 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6430 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.9570 Ave N Shift Values>> N :: 109.67(3.87) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.17 W 0.14 E 0.14 C 0.13 Q 0.13 K 0.07 C Shift Assignments>> C :: 176.3540 CA :: 56.1010 CB :: 30.5790 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 :: 8.1580 HA :: 4.3180 HB2 :: 1.6220 HB3 :: 1.9880 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 :: 120.0900 Ave N Shift Values>> N :: 120.67(3.48) 1.R109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.17 W 0.14 E 0.14 C 0.13 Q 0.13 K 0.08 C Shift Assignments>> C :: 175.7310 CA :: 55.9160 CB :: 30.6350 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 :: 8.5100 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 :: 122.0030 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.H110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.42 Y 0.37 C 0.19 C Shift Assignments>> C :: 175.2760 CA :: 57.5930 CB :: 39.7440 CD1 :: 131.4980 CD2 :: 131.4980 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>> HA :: 4.5710 HB2 :: 2.9570 HB3 :: 3.1000 HD1 :: 7.1970 HD2 :: 7.1970 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) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 C Shift Assignments>> C :: 177.5750 CA :: 52.3920 CB :: 19.5200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3910 HA :: 4.3030 HB1 :: 1.3860 HB2 :: 1.3860 HB3 :: 1.3860 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.9960 Ave N Shift Values>> N :: 123.23(3.54) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 E 0.15 R 0.15 W 0.15 Q 0.13 C 0.13 K 0.08 I 0.01 C Shift Assignments>> C :: 176.6860 CA :: 56.8570 CB :: 30.1300 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 :: 8.4680 HA :: 4.2660 HB2 :: 1.8440 HB3 :: 2.0990 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 :: 120.3990 Ave N Shift Values>> N :: 120.67(3.48) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.5250 CA :: 58.4920 CB :: 63.9420 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.3530 HB3 :: 3.8790 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.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 H 0.16 E 0.15 W 0.15 C 0.14 Q 0.12 K 0.07 C Shift Assignments>> C :: 176.5330 CA :: 56.7200 CB :: 30.4890 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 :: 8.5010 HA :: 4.3730 HB2 :: 2.0850 HB3 :: 1.9630 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.8960 Ave N Shift Values>> N :: 120.67(3.48) 1.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.D118 1.D118 C Shift Assignments>> C :: 174.3030 CA :: 61.9080 CB :: 69.7823 CG2 :: 21.5380 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 :: 8.3040 HA :: 4.3450 HB :: 4.1950 HG21 :: 1.1950 HG22 :: 1.1950 HG23 :: 1.1950 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 :: 115.8740 Ave N Shift Values>> N :: 115.42(4.75) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.26 R 0.04 A 0.02 G 0.01 C Shift Assignments>> C :: 176.2450 CA :: 54.9570 CB :: 42.4480 CG :: 26.9980 CD1 :: 24.9690 CD2 :: 23.3300 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 :: 8.4530 HA :: 4.3600 HB3 :: 1.6280 HG :: 1.6210 HD11 :: 0.9210 HD12 :: 0.9210 HD13 :: 0.9210 HD21 :: 0.8220 HD22 :: 0.8220 HD23 :: 0.8220 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 :: 125.7120 Ave N Shift Values>> N :: 121.86(3.9) 1.D118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.T116 1.T116 H Shift Assignments>> H :: 8.3023 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 :: 115.9097 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 112 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 116 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 118 #Suspicious: 0 C Shift Results: #Consistent: 488 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 714 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 114 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.R18 HG2 = 0.2730(S), Expected = 1.57, Std = 0.2700, ChiSquare = 1.5576e-06 1.K27 N = 133.6220(S), Expected = 121.05, Std = 3.7700, ChiSquare = 8.5377e-04 1.R31 HD2 = 2.1900(S), Expected = 3.12, Std = 0.2400, ChiSquare = 1.0662e-04 1.R31 HD3 = 2.2200(S), Expected = 3.10, Std = 0.2600, ChiSquare = 7.1278e-04 1.A83 N = 136.1520(S), Expected = 123.23, Std = 3.5400, ChiSquare = 2.6195e-04 1.E95 HA = 5.7860(S), Expected = 4.25, Std = 0.4100, ChiSquare = 1.7943e-04 1.R99 HD2 = 2.3300(S), Expected = 3.12, Std = 0.2400, ChiSquare = 9.9596e-04