Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.Y1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 174.81 CA :: 61.947 CB :: 33.130 CG1 :: 21.240 CG2 :: 21.612 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 :: 7.9380 HA :: 4.0330 HB :: 1.8710 HG11 :: 0.81100 HG12 :: 0.81100 HG13 :: 0.81100 HG21 :: 0.86100 HG22 :: 0.86100 HG23 :: 0.86100 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 :: 123.76 Ave N Shift Values>> N :: 121.14(4.54) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.11 Q 0.06 K 0.06 I 0.02 C Shift Assignments>> C :: 175.89 CA :: 56.487 CB :: 30.349 CG :: 36.170 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 :: 8.4590 HA :: 4.1330 HB2 :: 1.8650 HB3 :: 1.9070 HG2 :: 2.1700 HG3 :: 2.1700 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 :: 125.39 Ave N Shift Values>> N :: 120.67(3.48) 1.F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> C :: 175.55 CA :: 57.740 CB :: 39.563 CD1 :: 131.98 CD2 :: 131.98 CE1 :: 130.00 CE2 :: 130.00 CZ :: 129.46 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 :: 8.3230 HA :: 4.6510 HB2 :: 3.0570 HB3 :: 3.0690 HD1 :: 7.2810 HD2 :: 7.2810 HE1 :: 7.3060 HE2 :: 7.3060 HZ :: 7.3240 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 :: 121.68 Ave N Shift Values>> N :: 120.45(4.18) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.00 CA :: 58.045 CB :: 64.050 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1770 HA :: 4.3250 HB2 :: 3.7440 HB3 :: 3.7440 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 :: 117.68 Ave N Shift Values>> N :: 116.28(3.52) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.37 M 0.13 Q 0.02 K 0.02 I 0.02 C Shift Assignments>> C :: 176.70 CA :: 56.479 CB :: 30.715 CG :: 36.588 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 :: 8.3760 HA :: 4.2900 HB2 :: 2.1510 HB3 :: 1.9620 HG2 :: 2.3350 HG3 :: 2.3350 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.92 Ave N Shift Values>> N :: 120.67(3.48) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.24 C 0.24 Q 0.23 K 0.2 M 0.03 R 0.01 I 0.01 C Shift Assignments>> C :: 175.15 CA :: 55.580 CB :: 29.160 CG :: 35.130 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 :: 8.4090 HA :: 4.7020 HB2 :: 2.1890 HB3 :: 1.7950 HG2 :: 2.2870 HG3 :: 2.2870 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 :: 122.61 Ave N Shift Values>> N :: 120.67(3.48) 1.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.21 D 0.2 K 0.08 F 0.04 C 0.04 G 0.03 Y 0.02 N 0.02 C Shift Assignments>> C :: 171.61 CA :: 53.880 CB :: 42.930 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.9400 HA :: 4.9560 HB2 :: 3.0550 HB3 :: 2.8620 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 :: 115.42 Ave N Shift Values>> N :: 120.17(4.64) 1.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.4 Q 0.07 K 0.02 HN Overlap>> 1.K19 1.K19 C Shift Assignments>> C :: 174.04 CA :: 53.440 CB :: 31.100 CG :: 36.080 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 :: 9.3480 HA :: 5.0330 HB2 :: 1.9290 HB3 :: 1.5060 HG2 :: 2.2670 HG3 :: 2.0890 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.46 Ave N Shift Values>> N :: 120.09(3.57) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 W 0.3 C 0.28 C Shift Assignments>> C :: 176.70 CA :: 55.016 CB :: 31.116 CD2 :: 118.50 CE1 :: 139.10 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 :: 9.5560 HA :: 4.8770 HB2 :: 3.0820 HB3 :: 3.1960 HD1 :: 7.2980 HD2 :: 6.8550 HE1 :: 8.3290 HE2 :: 9.5690 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 :: 124.31 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.09 P 0.05 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 174.56 CA :: 47.652 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9240 HA2 :: 4.1040 HA3 :: 3.8430 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.31 Ave N Shift Values>> N :: 109.67(3.87) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.E21 2.E21 C Shift Assignments>> C :: 176.18 CA :: 57.731 CB :: 63.130 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0100 HA :: 4.6530 HB2 :: 3.9280 HB3 :: 3.9280 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.79 Ave N Shift Values>> N :: 116.28(3.52) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 P 0.18 C 0.1 A 0.09 N 0.03 L 0.02 C Shift Assignments>> C :: 176.18 CA :: 47.972 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0100 HA2 :: 4.0130 HA3 :: 3.9570 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.33 Ave N Shift Values>> N :: 109.67(3.87) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.32 E 0.25 K 0.03 C Shift Assignments>> C :: 177.04 CA :: 60.120 CB :: 28.960 CG :: 36.740 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.9100 HA :: 4.3180 HB2 :: 2.0502 HB3 :: 2.0500 HG2 :: 2.3670 HG3 :: 2.3670 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 :: 124.16 Ave N Shift Values>> N :: 120.67(3.48) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.11 C 0.09 Y 0.03 F 0.03 L 0.02 C Shift Assignments>> C :: 174.85 CA :: 51.760 CB :: 38.360 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 :: 8.4580 HA :: 5.0260 HB2 :: 2.9590 HB3 :: 2.7270 HD21 :: 7.6730 HD22 :: 6.9050 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 :: 112.89 ND2 :: 113.29 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 175.77 CA :: 60.010 CB :: 38.580 CD1 :: 133.38 CD2 :: 133.38 CE1 :: 118.23 CE2 :: 118.23 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 :: 7.6300 HA :: 4.4200 HB2 :: 3.0810 HB3 :: 3.0810 HD1 :: 7.6300 HD2 :: 7.6300 HE1 :: 6.8410 HE2 :: 6.8410 HH :: 10.642 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 :: 121.33 Ave N Shift Values>> N :: 120.52(4.2) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.27 K 0.09 R 0.08 N 0.08 C 0.04 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 175.75 CA :: 52.327 CB :: 42.265 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 :: 8.6900 HA :: 4.5990 HB2 :: 2.3290 HB3 :: 2.3290 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 :: 130.24 Ave N Shift Values>> N :: 120.65(3.86) 1.G18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.59 L 0.21 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.73 CA :: 44.650 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 4.5040(S) HA2 :: 4.0660 HA3 :: 3.7860 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.44 Ave N Shift Values>> N :: 109.67(3.87) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.35 R 0.12 HN Overlap>> 1.M9 1.M9 C Shift Assignments>> C :: 176.41 CA :: 55.270 CB :: 32.550 CG :: 25.010 CD :: 29.520 CE :: 42.114 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 :: 9.2500 HA :: 3.2250 HB2 :: 1.6390 HB3 :: 1.6390 HG2 :: 1.0400 HG3 :: 1.2840 HD2 :: 1.5700 HD3 :: 1.5700 HE2 :: 2.9400 HE3 :: 2.9400 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 :: 117.44 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I20 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 :: 176.76 CA :: 63.990 CB :: 36.360 CG1 :: 29.490 CG2 :: 17.900 CD1 :: 13.280 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 :: 7.5660 HA :: 3.9580 HB :: 1.9820 HG12 :: 1.6660 HG13 :: 1.2340 HG21 :: 0.99200 HG22 :: 0.99200 HG23 :: 0.99200 HD11 :: 0.35600 HD12 :: 0.35600 HD13 :: 0.35600 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 :: 122.78 Ave N Shift Values>> N :: 121.46(4.28) 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 :: 172.71 CA :: 57.060 CB :: 65.160 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8010 HA :: 5.1280 HB2 :: 4.4520 HB3 :: 3.4610 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 :: 122.76 Ave N Shift Values>> N :: 116.28(3.52) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 A 0.05 C Shift Assignments>> C :: 176.12 CA :: 53.430 CB :: 37.110 CG :: 24.250 CD :: 29.720 CE :: 39.364 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 :: 7.1420 HA :: 5.5110 HB2 :: 1.5660 HB3 :: 1.5660 HG2 :: 1.4010 HG3 :: 1.4010 HD2 :: 1.6250 HD3 :: 1.6250 HE2 :: 3.0310 HE3 :: 3.0310 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 :: 119.68 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 C 0.38 C Shift Assignments>> C :: 177.97 CA :: 60.640 CB :: 70.710 CG2 :: 23.230 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 :: 9.1320 HA :: 4.9800 HB :: 4.5270 HG1 :: 6.0510 HG21 :: 1.1750 HG22 :: 1.1750 HG23 :: 1.1750 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 :: 111.05 Ave N Shift Values>> N :: 115.42(4.75) 1.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.23 Q 0.17 K 0.13 C Shift Assignments>> C :: 176.12 CA :: 58.704 CB :: 32.546 CG :: 30.843 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 :: 9.4040 HA :: 4.1420 HB2 :: 2.1440 HB3 :: 1.7360 HG2 :: 2.3810 HG3 :: 2.6700 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 :: 118.12 Ave N Shift Values>> N :: 120.09(3.57) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.85 CA :: 58.700 CB :: 62.670 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7550 HA :: 4.5750 HB2 :: 4.0530 HB3 :: 3.8630 HG :: 6.0600 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 :: 113.50 Ave N Shift Values>> N :: 116.28(3.52) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.21 CA :: 45.125 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1410 HA2 :: 4.2600 HA3 :: 3.4900 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.74 Ave N Shift Values>> N :: 109.67(3.87) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.2 A 0.04 R 0.02 G 0.01 C Shift Assignments>> C :: 176.18 CA :: 54.211 CB :: 42.180 CG :: 25.928 CD1 :: 25.930 CD2 :: 23.320 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 :: 7.1830 HA :: 4.2930 HB2 :: 1.9390 HB3 :: 1.2280 HG :: 1.5420 HD11 :: 0.88200 HD12 :: 0.88200 HD13 :: 0.88200 HD21 :: 0.87200 HD22 :: 0.87200 HD23 :: 0.87200 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 :: 120.66 Ave N Shift Values>> N :: 121.86(3.9) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.28 Q 0.13 K 0.11 M 0.09 I 0.01 C Shift Assignments>> C :: 177.16 CA :: 56.310 CB :: 30.018 CG :: 35.640 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 :: 8.6920 HA :: 4.4810 HB2 :: 1.9720 HB3 :: 1.9720 HG2 :: 2.3660 HG3 :: 2.3660 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 :: 122.46 Ave N Shift Values>> N :: 120.67(3.48) 1.C29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 C 0.19 Y 0.15 F 0.11 E 0.11 D 0.05 M 0.04 I 0.02 L 0.01 C Shift Assignments>> C :: 177.04 CA :: 55.140 CB :: 37.590 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.6360 HA :: 4.7640 HB2 :: 3.2200 HB3 :: 2.6290 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 :: 125.54 Ave N Shift Values>> N :: 120.17(4.64) 1.Q30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.23 M 0.12 R 0.03 E 0.02 C Shift Assignments>> C :: 175.31 CA :: 55.260 CB :: 29.660 CG :: 33.140 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 :: 9.6890 HA :: 3.8110 HB2 :: 1.1470(S) HB3 :: 1.7580 HG2 :: 2.4340 HG3 :: 2.1870 HE21 :: 7.7560 HE22 :: 6.1250 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 :: 127.63 NE2 :: 110.10 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.19 C 0.01 C Shift Assignments>> C :: 178.72 CA :: 52.370 CB :: 18.100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7020 HA :: 4.0110 HB1 :: 1.2860 HB2 :: 1.2860 HB3 :: 1.2860 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.48 Ave N Shift Values>> N :: 123.23(3.54) 1.W32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.48 C Shift Assignments>> C :: 177.57 CA :: 59.531 CB :: 29.953 CD1 :: 127.75 CE3 :: 120.01 CZ2 :: 115.12 CZ3 :: 119.71 CH2 :: 123.14 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.7090 HA :: 4.2440 HB2 :: 3.6640 HB3 :: 2.9200 HD1 :: 7.1040 HE1 :: 11.419 HE3 :: 7.7900 HZ2 :: 7.3470 HZ3 :: 7.2600 HH2 :: 7.1280 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.44 NE1 :: 131.48 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.18 N 0.16 F 0.1 Y 0.08 C 0.06 K 0.05 C Shift Assignments>> C :: 175.83 CA :: 54.220 CB :: 40.650 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 :: 8.0820 HA :: 4.6030 HB2 :: 2.8200 HB3 :: 2.7050 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 :: 113.32 Ave N Shift Values>> N :: 120.65(3.86) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.10 CA :: 56.454 CB :: 65.070 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0520 HA :: 4.7370 HB2 :: 4.1650 HB3 :: 3.9300 HG :: 6.1730 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 :: 114.39 Ave N Shift Values>> N :: 116.28(3.52) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 C 0.23 Q 0.2 R 0.15 M 0.09 C Shift Assignments>> C :: 173.52 CA :: 53.860 CB :: 28.600 CG :: 32.410 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 :: 8.3670 HA :: 4.4130 HB2 :: 1.4350 HB3 :: 2.6380 HG2 :: 2.2120 HG3 :: 2.2120 HE21 :: 8.1060 HE22 :: 6.0880 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 :: 123.55 NE2 :: 116.42 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.82 CA :: 54.749 CB :: 65.162 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7010 HA :: 4.4660 HB2 :: 3.5180 HB3 :: 3.5180 HG :: 5.3460 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 :: 112.88 Ave N Shift Values>> N :: 116.28(3.52) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.65 P 0.33 C Shift Assignments>> C :: 176.35 CA :: 63.920 CB :: 33.550 CG :: 24.735 CD :: 50.050 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 :: 4.3820 HB2 :: 2.1800 HB3 :: 1.2250 HG2 :: 2.4500 HG3 :: 1.2790 HD2 :: 3.2620 HD3 :: 3.9520 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.H38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.36 C 0.25 C Shift Assignments>> C :: 178.14 CA :: 55.580 CB :: 30.421 CD2 :: 119.95 CE1 :: 137.48 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.8220 HA :: 4.8260 HB2 :: 2.9610 HB3 :: 2.6840 HD2 :: 6.8600 HE1 :: 8.2340 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 :: 123.33 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.06 C 0.01 C Shift Assignments>> C :: 178.38 CA :: 51.300 CB :: 19.070 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6780 HA :: 4.4820 HB1 :: 1.4020 HB2 :: 1.4020 HB3 :: 1.4020 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.16 Ave N Shift Values>> N :: 123.23(3.54) 1.H40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 H 0.15 W 0.1 Y 0.03 C Shift Assignments>> C :: 175.48 CA :: 55.960 CB :: 35.470 CD2 :: 120.12 CE1 :: 138.99 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 :: 9.2730 HA :: 4.7170 HB2 :: 2.0340 HB3 :: 3.0930 HD2 :: 7.1250 HE1 :: 8.3310 HE2 :: 10.346 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 :: 120.68 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 176.41 CA :: 44.680 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.1290 HA2 :: 4.5550 HA3 :: 3.6460 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.13 Ave N Shift Values>> N :: 109.67(3.87) 1.Y42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 Y 0.47 H 0.01 C Shift Assignments>> C :: 174.38 CA :: 57.480 CB :: 36.240 CD1 :: 133.43 CD2 :: 133.43 CE1 :: 117.69 CE2 :: 117.69 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 :: 11.980(S) HA :: 4.6220 HB2 :: 3.1260 HB3 :: 3.866 HD1 :: 6.8320 HD2 :: 6.8320 HE1 :: 6.9860 HE2 :: 6.9860 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 :: 133.49 Ave N Shift Values>> N :: 120.52(4.2) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.47 A 0.01 C Shift Assignments>> C :: 177.22 CA :: 58.201 CB :: 38.761 CG1 :: 27.801 CG2 :: 17.446 CD1 :: 12.023 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 :: 7.1120 HA :: 4.6300 HB :: 1.6430 HG12 :: 1.4440 HG13 :: 1.2510 HG21 :: 1.0040 HG22 :: 1.0040 HG23 :: 1.0040 HD11 :: 0.82900 HD12 :: 0.82900 HD13 :: 0.82900 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 :: 118.89 Ave N Shift Values>> N :: 121.46(4.28) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 178.78 CA :: 66.740 CB :: 32.080 CG :: 26.627 CD :: 50.957 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 :: 4.1590 HB2 :: 2.1290 HB3 :: 2.5550 HG2 :: 1.7530 HG3 :: 2.2380 HD2 :: 3.9450 HD3 :: 3.2520 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.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.00 CA :: 60.161 CB :: 62.190 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9900 HA :: 4.0870 HB2 :: 3.8650 HB3 :: 3.8650 HG :: 4.8350 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 :: 107.79 Ave N Shift Values>> N :: 116.28(3.52) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.25 R 0.22 G 0.07 C Shift Assignments>> C :: 175.83 CA :: 57.230 CB :: 33.360 CG :: 25.180 CD :: 29.510 CE :: 43.464 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 :: 7.7520 HA :: 3.9310 HB2 :: 1.4190 HB3 :: 1.6310 HG2 :: 1.1060 HG3 :: 0.7280 HD2 :: 1.1900 HD3 :: 1.1900 HE2 :: 2.8230 HE3 :: 2.8230 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.04 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.47 F 0.38 C 0.14 C Shift Assignments>> C :: 174.79 CA :: 54.142 CB :: 39.434 CD1 :: 132.48 CD2 :: 132.48 CE1 :: 130.98 CE2 :: 130.98 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 :: 7.0180 HA :: 5.2440 HB2 :: 3.0630 HB3 :: 2.7010 HD1 :: 7.2250 HD2 :: 7.2250 HE1 :: 7.5260 HE2 :: 7.5260 HZ :: 7.0180 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 :: 115.39 Ave N Shift Values>> N :: 120.45(4.18) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 177.68 CA :: 65.210 CB :: 31.630 CG :: 27.330 CD :: 50.690 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 :: 4.4720 HB2 :: 2.2550 HB3 :: 2.0560 HG2 :: 1.9810 HG3 :: 1.4560 HD2 :: 3.2880 HD3 :: 3.6120 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.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.13 D 0.08 Y 0.07 F 0.06 E 0.03 M 0.02 L 0.02 C Shift Assignments>> C :: 175.71 CA :: 53.290 CB :: 37.830 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 :: 8.9240 HA :: 4.8540 HB2 :: 3.0490 HB3 :: 2.9610 HD21 :: 7.8810 HD22 :: 7.1710 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 :: 115.66 ND2 :: 114.08 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.26 R 0.25 G 0.01 C Shift Assignments>> C :: 175.08 CA :: 53.520 CB :: 30.920 CG :: 24.870 CD :: 28.650 CE :: 42.179 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 :: 7.6840 HA :: 4.4800 HB2 :: 1.5640 HB3 :: 1.8980 HG2 :: 1.2600 HG3 :: 1.2600 HD2 :: 1.6240 HD3 :: 1.6240 HE2 :: 3.0620 HE3 :: 2.9550 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 :: 116.00 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 C 0.23 E 0.18 M 0.13 Y 0.06 F 0.04 K 0.03 Q 0.01 D 0.01 C Shift Assignments>> C :: 175.20 CA :: 54.000 CB :: 36.420 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 :: 7.8900 HA :: 4.2910 HB2 :: 3.1110 HB3 :: 2.8120 HD21 :: 7.8100 HD22 :: 6.8510 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 :: 115.08 ND2 :: 113.51 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.76 C 0.22 C Shift Assignments>> C :: 174.67 CA :: 53.770 CB :: 37.640 CG :: 25.620 CD1 :: 19.460(S) CD2 :: 25.620 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 :: 8.7960 HA :: 3.3990 HB2 :: 1.3780 HB3 :: 1.6940 HG :: 1.0190 HD11 :: -0.84600(S) HD12 :: -0.84600(S) HD13 :: -0.84600(S) HD21 :: 0.45300 HD22 :: 0.45300 HD23 :: 0.45300 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 :: 121.76 Ave N Shift Values>> N :: 121.86(3.9) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.31 K 0.28 G 0.01 C Shift Assignments>> C :: 173.46 CA :: 54.730 CB :: 36.140 CG :: 25.570 CD :: 29.450 CE :: 42.327 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 :: 7.0790 HA :: 4.2920 HB2 :: 1.6490 HB3 :: 1.7720 HG2 :: 1.3100 HG3 :: 1.3100 HD2 :: 1.7110 HD3 :: 1.7110 HE2 :: 2.9890 HE3 :: 2.9890 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 :: 124.10 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.36 K 0.21 G 0.03 C Shift Assignments>> C :: 173.34 CA :: 56.366 CB :: 29.830 CG :: 24.979 CD :: 28.670 CE :: 42.986 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 :: 8.7890 HA :: 3.6760 HB2 :: 1.1430 HB3 :: 1.1430 HG2 :: 1.3130 HG3 :: 1.3130 HD2 :: 1.6150 HD3 :: 1.6150 HE2 :: 2.9830 HE3 :: 2.9830 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 :: 117.90 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 C 0.17 M 0.03 D 0.03 Y 0.02 F 0.02 E 0.01 C Shift Assignments>> C :: 172.19 CA :: 51.060 CB :: 37.130 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 :: 7.5660 HA :: 4.6110 HB2 :: 1.8730 HB3 :: 2.3990 HD21 :: 7.7170 HD22 :: 7.2230 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.79 ND2 :: 110.91 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y56 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 :: 177.28 CA :: 54.370 CB :: 38.480 CD1 :: 132.72 CD2 :: 132.72 CE1 :: 117.48 CE2 :: 117.48 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 :: 7.5880 HA :: 4.8490 HB2 :: 3.2940 HB3 :: 2.7840 HD1 :: 6.8780 HD2 :: 6.8780 HE1 :: 6.8340 HE2 :: 6.8340 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 :: 115.18 Ave N Shift Values>> N :: 120.52(4.2) 1.C57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 G 0.38 P 0.15 L 0.01 C Shift Assignments>> C :: 175.60 CA :: 59.824 CB :: 48.360 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.1490 HA :: 4.3980 HB2 :: 3.3920 HB3 :: 2.3950 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.17 Ave N Shift Values>> N :: 120.17(4.64) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.42 G 0.08 K 0.02 C Shift Assignments>> C :: 173.58 CA :: 59.470 CB :: 29.840 CG :: 27.470 CD :: 43.453 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 :: 9.1260 HA :: 4.9180 HB2 :: 1.4840 HB3 :: 1.3420 HG2 :: 1.8850 HG3 :: 1.6540 HD2 :: 3.6580 HD3 :: 3.0350 HE :: 8.0110 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 :: 122.73 NE :: 88.964 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.N59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> N 0.51 C 0.17 Y 0.06 E 0.06 M 0.05 F 0.05 D 0.04 L 0.01 C Shift Assignments>> C :: 172.82 CA :: 53.176 CB :: 37.237 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 :: 8.8420 HA :: 5.5130 HB2 :: 3.0790 HB3 :: 1.9160 HD21 :: 6.9010 HD22 :: 6.6610 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 :: 113.42 ND2 :: 103.87(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 175.71 CA :: 63.480 CB :: 32.420 CG :: 26.896 CD :: 51.580 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 :: 4.6940 HB2 :: 1.6610 HB3 :: 1.7250 HG2 :: 1.9300 HG3 :: 1.4800 HD2 :: 3.8900 HD3 :: 2.6250 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.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.25 N 0.1 K 0.07 R 0.06 C 0.05 F 0.03 G 0.02 Y 0.02 C Shift Assignments>> C :: 174.85 CA :: 51.580 CB :: 42.180 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 :: 8.9070 HA :: 4.5260 HB2 :: 3.1620 HB3 :: 2.2950 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 :: 118.65 Ave N Shift Values>> N :: 120.65(3.86) 1.R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.29 L 0.17 G 0.09 K 0.01 C Shift Assignments>> C :: 176.24 CA :: 57.720 CB :: 27.540 CG :: 27.540 CD :: 43.480 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 :: 8.4040 HA :: 3.7950 HB2 :: 1.8750 HB3 :: 1.9260 HG2 :: 1.5110 HG3 :: 1.5110 HD2 :: 3.1530 HD3 :: 3.1530 HE :: 7.2590 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 :: 115.89 NE :: 85.559 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.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.27 R 0.14 G 0.06 K 0.06 N 0.05 C 0.05 F 0.03 Y 0.01 C Shift Assignments>> C :: 177.33 CA :: 52.040 CB :: 42.760 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 :: 9.7180 HA :: 4.7690 HB2 :: 3.2610 HB3 :: 2.8690 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 :: 121.75 Ave N Shift Values>> N :: 120.65(3.86) 1.L64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.4 C 0.38 R 0.1 G 0.08 C Shift Assignments>> C :: 176.47 CA :: 57.720 CB :: 43.480 CG :: 27.540 CD1 :: 25.238 CD2 :: 22.580 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 :: 11.020(S) HA :: 3.9580 HB2 :: 1.3720 HB3 :: 1.4160 HG :: 1.7630 HD11 :: 0.95400 HD12 :: 0.95400 HD13 :: 0.95400 HD21 :: 0.86700 HD22 :: 0.86700 HD23 :: 0.86700 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 :: 122.00 Ave N Shift Values>> N :: 121.86(3.9) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.28 C 0.21 K 0.13 G 0.07 C Shift Assignments>> C :: 172.13 CA :: 53.368 CB :: 28.429 CG :: 26.235 CD :: 43.126 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 :: 7.6390 HA :: 5.0060 HB2 :: 2.0970 HB3 :: 1.8080 HG2 :: 1.2170 HG3 :: 1.5450 HD2 :: 3.4610 HD3 :: 3.0850 HE :: 7.2890 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 :: 108.72 NE :: 84.823 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.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 172.94 CA :: 63.580 CB :: 32.480 CG :: 27.875 CD :: 50.735 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 :: 4.2390 HB2 :: 1.4650 HB3 :: 1.7360 HG2 :: 1.9080 HG3 :: 1.4810 HD2 :: 3.1150 HD3 :: 4.0280 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.W67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 W 0.13 C Shift Assignments>> C :: 172.92 CA :: 55.860 CB :: 33.970 CD1 :: 128.23 CE3 :: 121.21 CZ2 :: 116.02 CZ3 :: 118.91 CH2 :: 123.90 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 :: 8.7170 HA :: 5.3940 HB2 :: 3.3230 HB3 :: 3.330 HD1 :: 7.7140 HE1 :: 10.169 HE3 :: 7.4910 HZ2 :: 6.7830 HZ3 :: 6.6590 HH2 :: 7.4060 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.23 NE1 :: 129.60 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.C68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.21 D 0.16 R 0.11 F 0.1 Y 0.07 C 0.05 N 0.01 C Shift Assignments>> C :: 175.08 CA :: 55.860 CB :: 42.100 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.3660 HA :: 4.2410 HB2 :: 3.3370 HB3 :: 2.8800 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 :: 109.50 Ave N Shift Values>> N :: 120.17(4.64) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 F 0.38 HN Overlap>> 2.E46 2.D51 2.E46 2.D51 C Shift Assignments>> C :: 176.81 CA :: 59.300 CB :: 38.150 CD1 :: 132.51 CD2 :: 132.51 CE1 :: 132.03 CE2 :: 132.03 CZ :: 131.73 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 :: 8.0100 HA :: 5.3820 HB2 :: 2.9490 HB3 :: 2.3480 HD1 :: 7.1650 HD2 :: 7.1650 HE1 :: 7.2600 HE2 :: 7.2600 HZ :: 7.4850 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 :: 120.37 Ave N Shift Values>> N :: 120.45(4.18) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.52 CA :: 61.200 CB :: 70.240 CG2 :: 21.570 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 :: 8.0100 HA :: 5.4080 HB :: 4.2720 HG1 :: 6.2050 HG21 :: 0.96600 HG22 :: 0.96600 HG23 :: 0.96600 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.37 Ave N Shift Values>> N :: 115.42(4.75) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.90 CA :: 62.413 CB :: 69.140 CG2 :: 21.380 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 :: 8.0480 HA :: 4.0370 HB :: 4.5290 HG1 :: 6.2030 HG21 :: 1.1330 HG22 :: 1.1330 HG23 :: 1.1330 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 :: 103.84 Ave N Shift Values>> N :: 115.42(4.75) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 L 0.24 D 0.16 R 0.13 C 0.04 N 0.02 F 0.01 K 0.01 C Shift Assignments>> C :: 176.93 CA :: 51.333 CB :: 43.416 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 :: 9.0770 HA :: 4.9360 HB2 :: 3.0440 HB3 :: 2.5820 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 :: 126.21 Ave N Shift Values>> N :: 120.65(3.86) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 177.04 CA :: 64.350 CB :: 32.380 CG :: 27.475 CD :: 51.230 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 :: 3.9650 HB2 :: 2.2670 HB3 :: 1.8870 HG2 :: 1.9080 HG3 :: 2.0350 HD2 :: 4.1280 HD3 :: 3.9300 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.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.22 C 0.08 F 0.07 Y 0.07 L 0.07 C Shift Assignments>> C :: 174.44 CA :: 53.300 CB :: 39.240 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 :: 8.9510 HA :: 4.7870 HB2 :: 2.8660 HB3 :: 2.7160 HD21 :: 7.9910 HD22 :: 6.9930 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 :: 114.06 ND2 :: 115.31 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.31 R 0.19 A 0.01 C Shift Assignments>> C :: 173.40 CA :: 53.990 CB :: 32.170 CG :: 24.030 CD :: 28.040 CE :: 41.727 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 :: 7.9700 HA :: 4.5600 HB2 :: 1.3320 HB3 :: 1.7210 HG2 :: 0.94500 HG3 :: 1.0400 HD2 :: 1.5030 HD3 :: 1.5030 HE2 :: 2.8060 HE3 :: 2.8060 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 :: 123.17 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 R 0.3 K 0.08 G 0.07 C Shift Assignments>> C :: 175.14 CA :: 60.010 CB :: 29.970 CG :: 28.670 CD :: 43.210 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 :: 9.1080 HA :: 4.5550 HB2 :: 1.9800 HB3 :: 1.7180 HG2 :: 1.5330 HG3 :: 1.5330 HD2 :: 3.4740 HD3 :: 3.4740 HE :: 7.9500 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 :: 129.57 NE :: 85.375 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.W77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 W 0.46 C Shift Assignments>> C :: 172.94 CA :: 57.970 CB :: 31.890 CD1 :: 127.54 CE3 :: 120.54 CZ2 :: 115.37 CZ3 :: 121.95 CH2 :: 124.25 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.5100 HA :: 5.3190 HB2 :: 2.8860 HB3 :: 2.4290 HD1 :: 6.9560 HE1 :: 9.3970 HE3 :: 7.6720 HZ2 :: 6.7720 HZ3 :: 6.7420 HH2 :: 6.8390 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 :: 108.74 NE1 :: 130.18 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 M 0.06 E 0.04 C Shift Assignments>> C :: 174.50 CA :: 55.690 CB :: 34.320 CG :: 37.620 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 :: 8.6270 HA :: 3.4790 HB2 :: 1.9060 HB3 :: 1.6700 HG2 :: 2.8230 HG3 :: 2.2280 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 :: 118.80 Ave N Shift Values>> N :: 120.67(3.48) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 175.89 CA :: 60.030 CB :: 39.780 CD1 :: 132.55 CD2 :: 132.55 CE1 :: 117.49 CE2 :: 117.49 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 :: 7.6260 HA :: 4.9950 HB2 :: 3.3180 HB3 :: 2.8470 HD1 :: 6.8970 HD2 :: 6.8970 HE1 :: 6.9140 HE2 :: 6.9140 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 :: 119.16 Ave N Shift Values>> N :: 120.52(4.2) 1.C80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.14 C 0.07 C Shift Assignments>> C :: 172.42 CA :: 54.618 CB :: 46.500 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.4060 HA :: 4.7200 HB2 :: 2.9830 HB3 :: 3.1480 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 :: 118.56 Ave N Shift Values>> N :: 120.17(4.64) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.24 L 0.17 F 0.06 C 0.05 Y 0.04 K 0.04 C Shift Assignments>> C :: 173.58 CA :: 52.855 CB :: 40.790 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 :: 9.6990 HA :: 4.7540 HB2 :: 2.7520 HB3 :: 2.2160 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 :: 124.63 Ave N Shift Values>> N :: 120.65(3.86) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.28 A 0.16 C Shift Assignments>> C :: 173.92 CA :: 56.118 CB :: 38.166 CG1 :: 26.520 CG2 :: 16.791 CD1 :: 11.479 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 :: 7.8330 HA :: 4.3200 HB :: 1.8460 HG12 :: 0.72000 HG13 :: 1.1230 HG21 :: 0.41000 HG22 :: 0.41000 HG23 :: 0.41000 HD11 :: 0.37000 HD12 :: 0.37000 HD13 :: 0.37000 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 :: 125.23 Ave N Shift Values>> N :: 121.46(4.28) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 175.17 CA :: 62.844 CB :: 32.450 CG :: 27.708 CD :: 51.281 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 :: 4.3080 HB2 :: 2.2640 HB3 :: 2.2640 HG2 :: 2.0150 HG3 :: 1.7870 HD2 :: 3.5220 HD3 :: 3.7660 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.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.34 K 0.12 G 0.05 C Shift Assignments>> C :: 175.14 CA :: 55.720 CB :: 30.500 CG :: 28.150 CD :: 43.260 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 :: 8.6260 HA :: 4.6360 HB2 :: 1.7740 HB3 :: 1.7740 HG2 :: 1.4220 HG3 :: 1.8320 HD2 :: 3.2460 HD3 :: 3.2460 HE :: 7.0190 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 :: 122.04 NE :: 84.271 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.C85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.25 F 0.11 Y 0.1 L 0.09 C 0.08 C Shift Assignments>> C :: 174.91 CA :: 54.170 CB :: 39.500 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.8060 HA :: 4.4520 HB2 :: 3.1410 HB3 :: 1.8370 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 :: 123.98 Ave N Shift Values>> N :: 120.17(4.64) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.13 C 0.01 C Shift Assignments>> C :: 176.24 CA :: 52.940 CB :: 19.090 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7020 HA :: 4.2430 HB1 :: 1.3870 HB2 :: 1.3870 HB3 :: 1.3870 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.44 Ave N Shift Values>> N :: 123.23(3.54) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 L 0.06 M 0.06 C 0.05 C Shift Assignments>> C :: 182.42 CA :: 53.659 CB :: 20.365 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8920 HA :: 4.2040 HB1 :: 1.3590 HB2 :: 1.3590 HB3 :: 1.3590 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.49 Ave N Shift Values>> N :: 123.23(3.54) 2.G1 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Suspicious H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 181.01(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 2.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.R42 2.R42 C Shift Assignments>> C :: 176.30 CA :: 58.417 CB :: 63.989 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1590 HB2 :: 3.7930 HB3 :: 3.7930 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 :: 119.99 Ave N Shift Values>> N :: 116.28(3.52) 2.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 177.93 CA :: 62.807 CB :: 32.624 CG1 :: 21.200 CG2 :: 21.200 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 :: 8.2920 HA :: 4.0490 HB :: 2.0140 HG11 :: 0.86400 HG12 :: 0.86400 HG13 :: 0.86400 HG21 :: 0.86400 HG22 :: 0.86400 HG23 :: 0.86400 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 :: 122.46 Ave N Shift Values>> N :: 121.14(4.54) 2.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.34 M 0.08 K 0.06 Q 0.05 I 0.03 C Shift Assignments>> C :: 178.09 CA :: 56.729 CB :: 30.178 CG :: 36.330 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 :: 8.4690 HA :: 4.1150 HB2 :: 1.8850 HB3 :: 1.8850 HG2 :: 2.1910 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 :: 125.22 Ave N Shift Values>> N :: 120.67(3.48) 2.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.41 R 0.06 Q 0.04 V 0.01 C Shift Assignments>> C :: 178.08 CA :: 56.664 CB :: 32.931 CG :: 24.762 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 :: 8.2500 HA :: 4.1820 HB2 :: 1.6920 HB3 :: 1.6920 HG2 :: 1.3460 HG3 :: 1.3460 HD2 :: 1.3400 HD3 :: 1.3400 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 :: 123.29 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.33 A 0.09 G 0.01 C Shift Assignments>> C :: 179.69 CA :: 55.552 CB :: 42.356 CG :: 27.018 CD1 :: 23.180 CD2 :: 21.940 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 :: 8.2810 HA :: 4.3300 HB2 :: 1.5600 HB3 :: 1.5600 HG :: 1.5600 HD11 :: 0.86100 HD12 :: 0.86100 HD13 :: 0.86100 HD21 :: 0.86100 HD22 :: 0.86100 HD23 :: 0.86100 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 :: 123.84 Ave N Shift Values>> N :: 121.86(3.9) 2.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 2.S30 2.S30 C Shift Assignments>> C :: 176.41 CA :: 62.369 CB :: 70.009 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 :: 8.0030 HA :: 4.2500 HB :: 4.2500 HG21 :: 1.1760 HG22 :: 1.1760 HG23 :: 1.1760 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 :: 115.19 Ave N Shift Values>> N :: 115.42(4.75) 2.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.26 C 0.02 C Shift Assignments>> C :: 180.51 CA :: 53.959 CB :: 18.756 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3820 HA :: 4.1600 HB1 :: 1.3650 HB2 :: 1.3650 HB3 :: 1.3650 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.26 Ave N Shift Values>> N :: 123.23(3.54) 2.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 L 0.19 F 0.18 Y 0.15 K 0.11 C 0.08 N 0.04 I 0.01 C Shift Assignments>> C :: 179.23 CA :: 56.185 CB :: 40.898 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 :: 8.3540 HA :: 4.3920 HB2 :: 2.5930 HB3 :: 2.5930 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 :: 119.60 Ave N Shift Values>> N :: 120.65(3.86) 2.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.37 C 0.03 I 0.01 C Shift Assignments>> C :: 180.90 CA :: 54.717 CB :: 18.713 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0960 HA :: 4.0780 HB1 :: 1.4060 HB2 :: 1.4060 HB3 :: 1.4060 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.39 Ave N Shift Values>> N :: 123.23(3.54) 2.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.32 K 0.12 Q 0.09 I 0.08 M 0.02 HN Overlap>> 2.K43 2.K43 C Shift Assignments>> C :: 179.54 CA :: 58.362 CB :: 29.422 CG :: 35.810 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 :: 8.1330 HA :: 4.1870 HB2 :: 1.9900 HB3 :: 1.9900 HG2 :: 2.1890 HG3 :: 2.1890 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 :: 120.70 Ave N Shift Values>> N :: 120.67(3.48) 2.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.39 C Shift Assignments>> C :: 181.03 CA :: 57.622 CB :: 41.668 CG :: 26.830 CD1 :: 23.850 CD2 :: 23.850 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 :: 7.8660 HA :: 4.0850 HB2 :: 1.6910 HB3 :: 1.6910 HG :: 1.6910 HD11 :: 0.83400 HD12 :: 0.83400 HD13 :: 0.83400 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 :: 120.85 Ave N Shift Values>> N :: 121.86(3.9) 2.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 K 0.14 W 0.13 Q 0.13 E 0.11 H 0.1 R 0.09 I 0.07 L 0.02 M 0.01 C Shift Assignments>> C :: 179.03 CA :: 58.087 CB :: 28.473 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 :: 7.9770 HA :: 3.9580 HB2 :: 2.0410 HB3 :: 2.0410 HG2 :: 2.3040 HG3 :: 2.3040 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 :: 118.85 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.17 E 0.13 R 0.11 H 0.1 Q 0.08 K 0.07 I 0.05 V 0.03 M 0.03 C Shift Assignments>> C :: 180.00 CA :: 59.210 CB :: 30.080 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 :: 7.9370 HA :: 4.2420 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.57 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.17 F 0.16 Y 0.12 R 0.08 D 0.08 C 0.07 I 0.02 HN Overlap>> 2.D36 2.L45 2.D36 2.L45 C Shift Assignments>> C :: 181.40 CA :: 57.440 CB :: 41.900 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 :: 7.7240 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 :: 119.73 Ave N Shift Values>> N :: 121.86(3.9) 2.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 K 0.15 V 0.11 M 0.1 W 0.09 R 0.09 H 0.07 Q 0.06 E 0.05 C Shift Assignments>> C :: 180.44 CA :: 59.041 CB :: 32.545 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 :: 7.9270 HA :: 4.1810 HB2 :: 1.8510 HB3 :: 1.8510 HG2 :: 1.3030 HG3 :: 1.3030 HD2 :: 1.3000 HD3 :: 1.3000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.40 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 Y 0.18 C 0.17 F 0.15 D 0.08 E 0.06 L 0.03 M 0.02 I 0.02 C Shift Assignments>> C :: 179.18 CA :: 55.319 CB :: 38.067 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 :: 8.3850 HA :: 4.5040 HB2 :: 2.9200 HB3 :: 2.9200 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.61 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.17 E 0.13 R 0.09 H 0.09 K 0.09 Q 0.08 I 0.07 V 0.02 M 0.02 C Shift Assignments>> C :: 179.72 CA :: 59.360 CB :: 29.700 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 :: 8.5890 HA :: 4.0150 HB2 :: 1.9460 HB3 :: 1.9460 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 :: 122.75 Ave N Shift Values>> N :: 120.67(3.48) 2.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.43 I 0.02 C 0.02 C Shift Assignments>> C :: 182.08 CA :: 54.871 CB :: 18.104 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9930 HA :: 4.1550 HB1 :: 1.4750 HB2 :: 1.4750 HB3 :: 1.4750 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.02 Ave N Shift Values>> N :: 123.23(3.54) 2.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 HN Overlap>> 2.K38 2.K38 C Shift Assignments>> C :: 182.15 CA :: 52.643 CB :: 19.301 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0360 HA :: 4.1890 HB1 :: 1.3150 HB2 :: 1.3150 HB3 :: 1.3150 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.75 Ave N Shift Values>> N :: 123.23(3.54) 2.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.17 E 0.11 R 0.09 H 0.08 I 0.07 Q 0.06 V 0.06 K 0.05 M 0.02 HN Overlap>> 1.S12 1.S12 C Shift Assignments>> C :: 179.76 CA :: 59.953 CB :: 30.128 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 :: 7.9850 HB2 :: 2.0000 HB3 :: 2.0000 HG2 :: 2.2870 HG3 :: 2.2870 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 :: 121.72 Ave N Shift Values>> N :: 120.67(3.48) 2.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.14 R 0.13 C 0.13 Q 0.12 K 0.08 M 0.05 I 0.01 V 0.01 HN Overlap>> 2.E31 2.E31 C Shift Assignments>> C :: 180.90 CA :: 57.340 CB :: 30.130 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 :: 8.2670 HA :: 4.0870 HB2 :: 2.1440 HB3 :: 2.1440 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 :: 121.30 Ave N Shift Values>> N :: 120.67(3.48) 2.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.44 C 0.02 I 0.02 HN Overlap>> 2.A40 2.A40 C Shift Assignments>> C :: 180.04 CA :: 54.657 CB :: 18.242 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0350 HA :: 4.0880 HB1 :: 1.4220 HB2 :: 1.4220 HB3 :: 1.4220 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.45 Ave N Shift Values>> N :: 123.23(3.54) 2.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.1 K 0.07 Q 0.04 M 0.03 HN Overlap>> 2.E41 2.E41 C Shift Assignments>> C :: 177.82 CA :: 58.580 CB :: 29.690 CG :: 36.300 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 :: 8.2380 HA :: 4.0040 HG2 :: 2.2830 HG3 :: 2.2830 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 :: 120.47 Ave N Shift Values>> N :: 120.67(3.48) 2.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.43 A 0.02 G 0.01 HN Overlap>> 2.K48 2.K48 C Shift Assignments>> CA :: 57.000 CB :: 42.356 CG :: 27.018 CD1 :: 23.180 CD2 :: 21.940 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 :: 7.9510 HA :: 4.3300 HB2 :: 1.5600 HB3 :: 1.5600 HD11 :: 0.86100 HD12 :: 0.86100 HD13 :: 0.86100 HD21 :: 0.86100 HD22 :: 0.86100 HD23 :: 0.86100 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 :: 121.24 Ave N Shift Values>> N :: 121.86(3.9) 2.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.32 I 0.16 K 0.07 Q 0.04 M 0.01 C Shift Assignments>> C :: 180.81 CA :: 59.698 CB :: 29.426 CG :: 36.067 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 :: 8.0200 HA :: 3.9370 HB2 :: 2.0460 HB3 :: 2.0460 HG2 :: 2.2440 HG3 :: 2.2440 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 :: 119.49 Ave N Shift Values>> N :: 120.67(3.48) 2.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.18 C 0.16 Q 0.14 R 0.09 H 0.08 W 0.05 E 0.04 V 0.01 C Shift Assignments>> C :: 181.20 CA :: 56.220 CB :: 32.920 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 :: 7.8080 HA :: 4.2450 HB2 :: 1.9730 HB3 :: 1.9730 HG2 :: 1.3130 HG3 :: 1.3130 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.61 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.41 C Shift Assignments>> C :: 182.15 CA :: 58.193 CB :: 41.844 CG :: 26.830 CD1 :: 23.850 CD2 :: 23.850 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 :: 8.5270 HA :: 4.0850 HB2 :: 1.6910 HB3 :: 1.6910 HG :: 1.6910 HD11 :: 0.83400 HD12 :: 0.83400 HD13 :: 0.83400 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 :: 122.36 Ave N Shift Values>> N :: 121.86(3.9) 2.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.24 K 0.14 I 0.06 G 0.01 C Shift Assignments>> C :: 179.86 CA :: 60.245 CB :: 30.400 CE :: 42.338 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 :: 8.4870 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 :: 124.00 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.T7 2.T7 C Shift Assignments>> C :: 177.70 CA :: 58.759 CB :: 63.958 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0340 HA :: 4.0860 HB2 :: 4.0860 HB3 :: 4.0860 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 :: 115.26 Ave N Shift Values>> N :: 116.28(3.52) 2.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 C 0.14 H 0.13 R 0.12 Q 0.11 K 0.08 M 0.04 I 0.02 V 0.01 HN Overlap>> 2.E22 2.E22 C Shift Assignments>> C :: 180.14 CA :: 57.852 CB :: 30.000 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 :: 8.1980 HA :: 4.0560 HB2 :: 1.9700 HB3 :: 1.9700 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 :: 121.26 Ave N Shift Values>> N :: 120.67(3.48) 2.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.22 Q 0.13 M 0.13 R 0.02 HN Overlap>> 2.D47 2.D47 C Shift Assignments>> C :: 181.18 CA :: 59.580 CB :: 32.320 CG :: 30.164 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 :: 8.1940 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 :: 120.97 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.17 E 0.12 R 0.09 H 0.09 I 0.08 K 0.07 Q 0.07 V 0.04 M 0.02 C Shift Assignments>> C :: 181.21 CA :: 59.670 CB :: 29.860 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 :: 7.7450 HA :: 4.4100 HB2 :: 3.1400 HB3 :: 3.1400 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 :: 122.60 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.2 Y 0.15 L 0.13 C 0.08 R 0.07 D 0.05 I 0.03 C Shift Assignments>> C :: 179.53 CA :: 58.190 CB :: 41.820 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 :: 8.0840 HA :: 4.4710 HB2 :: 2.5580 HB3 :: 2.5580 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 :: 119.65 Ave N Shift Values>> N :: 120.65(3.86) 2.H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.15 E 0.14 R 0.14 H 0.13 Q 0.09 K 0.06 M 0.06 V 0.02 I 0.01 C Shift Assignments>> C :: 178.68 CA :: 58.100 CB :: 30.520 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.6780 HA :: 4.2090 HB2 :: 2.6910 HB3 :: 2.6910 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 :: 123.09 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 L 0.14 D 0.12 C 0.1 K 0.09 I 0.04 N 0.02 HN Overlap>> 2.L45 2.L15 2.L45 2.L15 C Shift Assignments>> C :: 180.80 CA :: 57.210 CB :: 40.680 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 :: 7.7240 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 :: 119.73 Ave N Shift Values>> N :: 120.65(3.86) 2.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.46 C Shift Assignments>> C :: 178.37 CA :: 56.633 CB :: 32.725 CG :: 24.596 CD :: 29.363 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 :: 7.9660 HA :: 4.1770 HB2 :: 1.7700 HB3 :: 1.7700 HG2 :: 1.3600 HG3 :: 1.3600 HD2 :: 1.4000 HD3 :: 1.4000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.19 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.36 K 0.13 G 0.01 HN Overlap>> 2.A20 2.L49 2.A20 2.L49 C Shift Assignments>> C :: 179.04 CA :: 56.106 CB :: 32.963 CG :: 26.970 CD :: 26.970 CE :: 42.200 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 :: 8.0610 HA :: 4.1880 HB3 :: 1.5470 HG2 :: 1.5400 HG3 :: 1.5400 HD2 :: 1.5470 HD3 :: 1.5470 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.81 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 C 0.13 H 0.13 R 0.13 Q 0.11 K 0.08 M 0.05 I 0.01 V 0.01 C Shift Assignments>> C :: 179.70 CA :: 57.618 CB :: 30.117 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 :: 8.6120 HA :: 4.0310 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 :: 121.12 Ave N Shift Values>> N :: 120.67(3.48) 2.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.13 C 0.02 HN Overlap>> 2.A23 2.A23 C Shift Assignments>> C :: 180.04 CA :: 53.013 CB :: 19.143 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0340 HA :: 4.1900 HB1 :: 1.3170 HB2 :: 1.3170 HB3 :: 1.3170 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.48 Ave N Shift Values>> N :: 123.23(3.54) 2.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.14 R 0.13 C 0.12 Q 0.12 K 0.08 M 0.05 I 0.01 HN Overlap>> 2.E24 2.E24 C Shift Assignments>> C :: 181.01 CA :: 57.128 CB :: 30.061 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 :: 8.2380 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 :: 120.47 Ave N Shift Values>> N :: 120.67(3.48) 2.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 C 0.17 R 0.14 Q 0.11 W 0.11 M 0.09 K 0.06 E 0.05 P 0.03 HN Overlap>> 2.S2 2.S2 C Shift Assignments>> C :: 179.95 CA :: 52.341 CB :: 30.109 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1590 HA :: 4.1940 HB2 :: 1.8600 HB3 :: 1.8600 HG2 :: 1.2100 HG3 :: 1.2100 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 :: 119.99 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.17 M 0.12 R 0.1 W 0.09 H 0.08 Q 0.07 V 0.06 E 0.06 HN Overlap>> 2.E11 2.E11 C Shift Assignments>> C :: 179.27 CA :: 58.268 CB :: 32.504 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 :: 8.1000 HA :: 4.0150 HB2 :: 1.7750 HB3 :: 1.7750 HG2 :: 1.4300 HG3 :: 1.4300 HD2 :: 1.4050 HD3 :: 1.4050 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.75 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.31 C 0.02 C Shift Assignments>> C :: 180.73 CA :: 53.904 CB :: 18.446 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8280 HA :: 4.1500 HB1 :: 1.3850 HB2 :: 1.3850 HB3 :: 1.3850 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.22 Ave N Shift Values>> N :: 123.23(3.54) 2.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.36 R 0.2 G 0.01 HN Overlap>> 2.D36 2.D36 2.L15 2.L15 C Shift Assignments>> C :: 179.96 CA :: 56.425 CB :: 42.336 CG :: 27.200 CD1 :: 23.840 CD2 :: 26.857 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 :: 7.6940 HA :: 4.1190 HB2 :: 1.6540 HB3 :: 1.6540 HG :: 1.6540 HD11 :: 0.81000 HD12 :: 0.81000 HD13 :: 0.81000 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 :: 119.65 Ave N Shift Values>> N :: 121.86(3.9) 2.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 C 0.14 H 0.13 R 0.13 Q 0.11 K 0.08 M 0.04 I 0.02 V 0.01 HN Overlap>> 1.F69 1.F69 C Shift Assignments>> C :: 178.91 CA :: 57.852 CB :: 30.030 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 :: 7.9950 HA :: 4.0560 HB2 :: 1.9770 HB3 :: 1.9770 HG2 :: 2.2780 HG3 :: 2.2780 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 :: 120.44 Ave N Shift Values>> N :: 120.67(3.48) 2.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.21 F 0.13 Y 0.1 K 0.1 N 0.08 C 0.06 HN Overlap>> 2.R32 2.R32 C Shift Assignments>> C :: 178.17 CA :: 55.179 CB :: 40.933 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.1750 HA :: 4.4760 HB2 :: 2.6020 HB3 :: 2.6020 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 :: 120.90 Ave N Shift Values>> N :: 120.65(3.86) 2.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.47 HN Overlap>> 2.L25 2.L25 C Shift Assignments>> C :: 179.90 CA :: 56.719 CB :: 32.725 CG :: 24.596 CD :: 29.363 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 :: 7.8780 HA :: 4.1660 HB2 :: 1.7700 HB3 :: 1.7700 HG2 :: 1.4000 HG3 :: 1.4000 HD2 :: 1.3680 HD3 :: 1.3680 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 :: 121.24 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.29 R 0.02 A 0.02 G 0.01 HN Overlap>> 2.K38 2.K38 C Shift Assignments>> C :: 178.66 CA :: 55.423 CB :: 42.169 CG :: 26.954 CD1 :: 23.315 CD2 :: 24.761 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 :: 8.0530 HA :: 4.2030 HB2 :: 1.5600 HB3 :: 1.5600 HG :: 1.5600 HD11 :: 0.81900 HD12 :: 0.81900 HD13 :: 0.81900 HD21 :: 0.81900 HD22 :: 0.81900 HD23 :: 0.81900 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 :: 122.92 Ave N Shift Values>> N :: 121.86(3.9) 2.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.02 C Shift Assignments>> C :: 178.52 CA :: 52.450 CB :: 19.505 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9490 HA :: 4.1940 HB1 :: 1.2410 HB2 :: 1.2410 HB3 :: 1.2410 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.36 Ave N Shift Values>> N :: 123.23(3.54) 2.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.23 K 0.12 F 0.09 N 0.09 Y 0.06 C 0.05 R 0.01 HN Overlap>> 1.F69 1.F69 C Shift Assignments>> C :: 176.32 CA :: 54.341 CB :: 41.284 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 :: 8.0280 HA :: 4.4530 HB2 :: 2.4870 HB3 :: 2.4870 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 :: 120.27 Ave N Shift Values>> N :: 120.65(3.86) 2.Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.28 I 0.18 C 0.16 L 0.02 D 0.02 C Shift Assignments>> C :: 181.80 CA :: 59.060 CB :: 39.440 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 :: 7.4460 HA :: 4.3030 HB2 :: 2.9160 HB3 :: 2.9160 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 :: 125.07 Ave N Shift Values>> N :: 120.52(4.2) ########################################################################### Overall Results: #Consistent: 132 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 137 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 139 #Suspicious: 0 C Shift Results: #Consistent: 567 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 848 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 145 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.G18 H = 4.5040(S), Expected = 8.33, Std = 0.6500, ChiSquare = 3.9529e-09 1.Q30 HB2 = 1.1470(S), Expected = 2.05, Std = 0.2500, ChiSquare = 3.0384e-04 1.Y42 H = 11.980(S), Expected = 8.32, Std = 0.7300, ChiSquare = 5.3394e-07 1.L52 CD1 = 19.460(S), Expected = 24.72, Std = 1.5900, ChiSquare = 9.3906e-04 1.L52 HD11 = -0.84600(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.1981e-08 1.L52 HD12 = -0.84600(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.1981e-08 1.L52 HD13 = -0.84600(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.1981e-08 1.N59 ND2 = 103.87(S), Expected = 112.75, Std = 2.2300, ChiSquare = 6.8320e-05 1.L64 H = 11.020(S), Expected = 8.23, Std = 0.6500, ChiSquare = 1.7683e-05 2.G1 C = 181.01(S), Expected = 173.87, Std = 1.8800, ChiSquare = 1.4594e-04