Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 170.9740 CA :: 57.4177 CB :: 63.2600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.1890 HB2 :: 3.9700 HB3 :: 3.9700 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.9680 CA :: 62.3260 CB :: 70.1540 CG2 :: 21.4380 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 :: 8.6570 HA :: 4.3130 HB :: 4.0860 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 :: 116.7000 Ave N Shift Values>> N :: 115.42(4.75) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.17 G 0.01 C Shift Assignments>> C :: 174.9260 CA :: 56.8390 CB :: 32.7770 CG :: 24.5300 CD :: 29.1900 CE :: 42.0000 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 :: 8.3180 HA :: 4.0650 HB2 :: 1.3370 HB3 :: 1.3370 HG2 :: 0.8700 HG3 :: 1.0600 HD2 :: 1.3450 HD3 :: 1.3450 HE2 :: 2.6270 HE3 :: 2.7150 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.5000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 A 0.06 C Shift Assignments>> C :: 174.7340 CA :: 53.2590 CB :: 40.9290 CG :: 26.9300 CD1 :: 25.0300 CD2 :: 23.3400 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 :: 7.7260 HA :: 4.4830 HB2 :: 1.2080 HB3 :: 1.8180 HG :: 1.2180 HD11 :: 0.7120 HD12 :: 0.7120 HD13 :: 0.7120 HD21 :: 0.8740 HD22 :: 0.8740 HD23 :: 0.8740 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.4730 Ave N Shift Values>> N :: 121.86(3.9) 1.Y5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.4060 CA :: 61.8120 CB :: 39.1100 CD1 :: 132.6410 CD2 :: 132.6410 CE1 :: 119.2780 CE2 :: 119.2780 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 :: 7.8160 HA :: 3.6230 HB2 :: 2.4460 HB3 :: 2.4460 HD1 :: 6.9990 HD2 :: 6.9990 HE1 :: 6.9310 HE2 :: 6.9310 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 :: 123.0740 Ave N Shift Values>> N :: 120.52(4.2) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 R 0.01 C Shift Assignments>> C :: 172.5850 CA :: 45.3870 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9150 HA2 :: 4.2120 HA3 :: 3.1680 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.6140 Ave N Shift Values>> N :: 109.67(3.87) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.23 L 0.05 Y 0.05 C Shift Assignments>> C :: 177.8060 CA :: 52.1920 CB :: 39.1500 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 :: 7.9760 HA :: 4.9840 HB2 :: 2.9980 HB3 :: 2.0240 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 :: 118.0230 Ave N Shift Values>> N :: 120.65(3.86) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.K23 1.K23 C Shift Assignments>> C :: 175.7170 CA :: 63.4460 CB :: 31.2710 CG1 :: 22.0090 CG2 :: 21.0630 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 :: 8.1560 HA :: 3.9830 HB :: 2.2710 HG11 :: 0.7880 HG12 :: 0.7880 HG13 :: 0.7880 HG21 :: 1.0540 HG22 :: 1.0540 HG23 :: 1.0540 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.2930 Ave N Shift Values>> N :: 121.14(4.54) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.87 D 0.07 Y 0.03 L 0.01 E 0.01 C Shift Assignments>> C :: 174.6260 CA :: 50.9500 CB :: 37.7010 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 :: 8.0080 HA :: 4.9890 HB2 :: 3.3610 HB3 :: 2.2470 HD21 :: 6.6380 HD22 :: 8.1220 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 :: 115.2260 ND2 :: 111.7970 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 D 0.29 L 0.21 N 0.1 K 0.04 I 0.04 C Shift Assignments>> C :: 175.1250 CA :: 56.2350 CB :: 40.2000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.3740 HA :: 4.4360 HB2 :: 3.1090 HB3 :: 2.4500 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.6000 Ave N Shift Values>> N :: 120.65(3.86) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.42 L 0.22 N 0.21 K 0.07 Y 0.04 R 0.01 HN Overlap>> 1.N34 1.N34 C Shift Assignments>> C :: 178.2990 CA :: 52.8210 CB :: 41.1140 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 :: 8.8010 HA :: 4.8170 HB2 :: 3.1040 HB3 :: 2.3500 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 :: 118.4020 Ave N Shift Values>> N :: 120.65(3.86) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.08 C Shift Assignments>> C :: 173.2840 CA :: 45.6240 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.2930 HA2 :: 3.4030 HA3 :: 4.1030 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.3530 Ave N Shift Values>> N :: 109.67(3.87) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.18 G 0.07 A 0.03 C Shift Assignments>> C :: 175.5950 CA :: 53.7580 CB :: 36.3390 CG :: 24.3660 CD :: 29.0300 CE :: 42.3880 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 :: 7.8480 HA :: 4.6590 HB2 :: 1.6600 HB3 :: 1.6600 HG2 :: 1.2220 HG3 :: 1.2870 HD2 :: 1.6240 HD3 :: 1.6240 HE2 :: 2.9280 HE3 :: 2.9280 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.1180 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.0520 CA :: 62.0700 CB :: 31.4550 CG1 :: 21.0380 CG2 :: 20.8040 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.1090 HA :: 4.7550 HB :: 2.1560 HG11 :: 0.9060 HG12 :: 0.9060 HG13 :: 0.9060 HG21 :: 0.7320 HG22 :: 0.7320 HG23 :: 0.7320 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 :: 126.5910 Ave N Shift Values>> N :: 121.14(4.54) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.24 L 0.06 Y 0.05 C Shift Assignments>> C :: 176.3400 CA :: 52.2750 CB :: 39.2200 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 :: 10.0710 HA :: 4.8150 HB2 :: 3.4820 HB3 :: 3.1560 HD21 :: 7.9790 HD22 :: 7.5310 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 126.2870 ND2 :: 113.4480 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.1970 CA :: 62.6810 CB :: 62.6810 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8250 HA :: 4.0470 HB2 :: 4.0470 HB3 :: 4.0470 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 :: 113.1680 Ave N Shift Values>> N :: 116.28(3.52) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.1490 CA :: 66.7910 CB :: 67.7570 CG2 :: 22.4240 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.9460 HA :: 3.9830 HB :: 4.3250 HG21 :: 1.2200 HG22 :: 1.2200 HG23 :: 1.2200 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.3910 Ave N Shift Values>> N :: 115.42(4.75) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Y 0.2 R 0.17 L 0.15 I 0.06 D 0.04 C Shift Assignments>> C :: 177.1680 CA :: 58.9140 CB :: 42.1620 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 :: 7.9950 HA :: 4.3700 HB2 :: 3.3420 HB3 :: 3.0830 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 :: 120.3180 Ave N Shift Values>> N :: 120.65(3.86) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 I 0.16 C Shift Assignments>> C :: 179.5490 CA :: 55.4130 CB :: 17.3130 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.0850 HA :: 4.0480 HB1 :: 1.4700 HB2 :: 1.4700 HB3 :: 1.4700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.1910 Ave N Shift Values>> N :: 123.23(3.54) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.1530 CA :: 66.7670 CB :: 31.8680 CG1 :: 22.4940 CG2 :: 21.0150 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 :: 7.8350 HA :: 3.6110 HB :: 2.1900 HG11 :: 1.1140 HG12 :: 1.1140 HG13 :: 1.1140 HG21 :: 0.9640 HG22 :: 0.9640 HG23 :: 0.9640 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.6130 Ave N Shift Values>> N :: 121.14(4.54) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 I 0.11 C Shift Assignments>> C :: 179.2980 CA :: 55.2440 CB :: 17.7890 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8040 HA :: 4.0620 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 :: 121.7670 Ave N Shift Values>> N :: 123.23(3.54) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.19 K 0.01 C Shift Assignments>> C :: 177.9140 CA :: 57.6930 CB :: 41.5150 CG :: 28.0390 CD1 :: 26.1310 CD2 :: 24.2460 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 :: 8.6190 HA :: 4.1460 HB2 :: 2.0140 HB3 :: 1.5530 HG :: 1.6100 HD11 :: 0.8830 HD12 :: 0.8830 HD13 :: 0.8830 HD21 :: 0.9430 HD22 :: 0.9430 HD23 :: 0.9430 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.5550 Ave N Shift Values>> N :: 121.86(3.9) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 G 0.01 HN Overlap>> 1.V8 1.V8 C Shift Assignments>> C :: 177.7310 CA :: 60.3370 CB :: 32.0980 CG :: 25.6640 CD :: 29.5380 CE :: 41.9360 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 :: 8.2300 HA :: 3.9190 HB2 :: 2.1700 HB3 :: 1.9200 HG2 :: 1.7350 HG3 :: 1.3850 HD2 :: 1.6830 HD3 :: 1.7410 HE2 :: 2.9490 HE3 :: 2.9490 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 :: 120.3350 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 G 0.31 K 0.03 C Shift Assignments>> C :: 178.6160 CA :: 59.9570 CB :: 29.5630 CG :: 28.0840 CD :: 43.8000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.9270 HA :: 3.9590 HB2 :: 1.9330 HB3 :: 1.9970 HG2 :: 1.9920 HG3 :: 1.6560 HD2 :: 3.1630 HD3 :: 3.1630 HE :: 7.0940 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.8310 NE :: 84.5560 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.Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 179.4650 CA :: 61.8450 CB :: 39.0650 CD1 :: 133.2740 CD2 :: 133.2740 CE1 :: 118.2180 CE2 :: 118.2180 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.3210 HA :: 4.2100 HB2 :: 3.2700 HB3 :: 2.9270 HD1 :: 6.9690 HD2 :: 6.9690 HE1 :: 6.8530 HE2 :: 6.8530 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.9600 Ave N Shift Values>> N :: 120.52(4.2) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.8260 CA :: 65.4400 CB :: 31.5570 CG1 :: 21.7820 CG2 :: 21.7820 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 :: 8.8030 HA :: 3.7740 HB :: 2.3550 HG11 :: 1.0130 HG12 :: 1.0130 HG13 :: 1.0130 HG21 :: 1.0180 HG22 :: 1.0180 HG23 :: 1.0180 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.4050 Ave N Shift Values>> N :: 121.14(4.54) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 A 0.08 R 0.01 C Shift Assignments>> C :: 176.7530 CA :: 55.6750 CB :: 41.5930 CG :: 25.6900 CD1 :: 25.5300 CD2 :: 22.4200 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 :: 7.8980 HA :: 4.2760 HB2 :: 1.8020 HB3 :: 1.6510 HD11 :: 0.8650 HD12 :: 0.8650 HD13 :: 0.8650 HD21 :: 0.8610 HD22 :: 0.8610 HD23 :: 0.8610 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 :: 119.2470 Ave N Shift Values>> N :: 121.86(3.9) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 R 0.38 G 0.09 K 0.06 HN Overlap>> 1.T35 1.T35 C Shift Assignments>> C :: 176.5210 CA :: 56.1540 CB :: 27.4710 CG :: 26.9270 CD :: 43.3170 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 :: 7.9930 HA :: 4.1140 HB2 :: 2.0340 HB3 :: 1.9090 HG2 :: 1.5370 HG3 :: 1.5370 HD2 :: 3.1670 HD3 :: 3.1670 HE :: 7.1410 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.0820 NE :: 85.0560 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.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.3680 CA :: 59.6990 CB :: 63.9080 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0940 HA :: 4.3050 HB2 :: 3.8960 HB3 :: 3.8960 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 :: 113.5790 Ave N Shift Values>> N :: 116.28(3.52) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.1150 CA :: 45.7710 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5770 HA2 :: 4.2040 HA3 :: 3.7480 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.9200 Ave N Shift Values>> N :: 109.67(3.87) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.3920 CA :: 60.2460 CB :: 39.5790 CG1 :: 27.6090 CG2 :: 16.5880 CD1 :: 13.9280 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 :: 7.3870 HA :: 4.3580 HB :: 1.8780 HG12 :: 1.1400 HG13 :: 1.4760 HG21 :: 0.9250 HG22 :: 0.9250 HG23 :: 0.9250 HD11 :: 0.9180 HD12 :: 0.9180 HD13 :: 0.9180 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.0840 Ave N Shift Values>> N :: 121.46(4.28) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.8910 CA :: 57.6030 CB :: 63.8490 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3390 HA :: 4.8450 HB2 :: 3.8600 HB3 :: 3.7980 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 :: 120.5820 Ave N Shift Values>> N :: 116.28(3.52) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 G 0.23 A 0.05 C Shift Assignments>> C :: 174.1950 CA :: 59.1120 CB :: 42.5820 CG1 :: 24.7440 CG2 :: 18.2130 CD1 :: 14.7920 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 :: 7.8730 HA :: 4.6330 HB :: 1.6730 HG12 :: 0.1870 HG13 :: 0.5520 HG21 :: 0.5920 HG22 :: 0.5920 HG23 :: 0.5920 HD11 :: 0.0060 HD12 :: 0.0060 HD13 :: 0.0060 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 :: 116.6290 Ave N Shift Values>> N :: 121.46(4.28) 1.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.76 E 0.1 Y 0.05 D 0.02 K 0.02 HN Overlap>> 1.D11 1.D11 C Shift Assignments>> C :: 176.2170 CA :: 52.1860 CB :: 36.4990 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 :: 8.8390 HA :: 4.7360 HB2 :: 2.8790 HB3 :: 2.7450 HD21 :: 8.9170 HD22 :: 6.7340 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 :: 118.3420 ND2 :: 115.4100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.R28 1.R28 C Shift Assignments>> C :: 177.3470 CA :: 64.6860 CB :: 67.7580 CG2 :: 22.1620 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.9390 HA :: 3.5590 HB :: 4.2050 HG21 :: 1.0200 HG22 :: 1.0200 HG23 :: 1.0200 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 :: 116.1200 Ave N Shift Values>> N :: 115.42(4.75) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 D 0.2 L 0.17 I 0.09 N 0.06 K 0.02 C Shift Assignments>> C :: 177.7520 CA :: 57.0740 CB :: 39.8980 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 :: 7.9800 HA :: 4.4200 HB2 :: 2.8020 HB3 :: 2.4350 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.5280 Ave N Shift Values>> N :: 120.65(3.86) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.77 D 0.11 Y 0.06 L 0.02 E 0.02 C Shift Assignments>> C :: 175.5890 CA :: 52.5600 CB :: 37.9630 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 :: 7.2510 HA :: 4.2660 HB2 :: 2.7110 HB3 :: 2.1690 HD21 :: 6.6940 HD22 :: 7.6810 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 :: 115.6900 ND2 :: 110.0830 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 A 0.28 K 0.05 C Shift Assignments>> C :: 173.6380 CA :: 52.2200 CB :: 22.8710 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.1420 HA :: 4.0800 HB1 :: 1.2810 HB2 :: 1.2810 HB3 :: 1.2810 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.5600 Ave N Shift Values>> N :: 123.23(3.54) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.2 Y 0.05 L 0.04 C Shift Assignments>> C :: 177.1630 CA :: 52.1710 CB :: 38.9460 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 :: 7.0960 HA :: 4.9400 HB2 :: 3.0410 HB3 :: 2.3440 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.0030 Ave N Shift Values>> N :: 120.65(3.86) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.21 K 0.01 G 0.01 C Shift Assignments>> C :: 175.8650 CA :: 56.5930 CB :: 41.9290 CG :: 27.1000 CD1 :: 27.0000 CD2 :: 25.0360 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 :: 8.5720 HA :: 4.0710 HB2 :: 1.6960 HB3 :: 1.6960 HG :: 1.7460 HD11 :: 1.0110 HD12 :: 1.0110 HD13 :: 1.0110 HD21 :: 0.8270 HD22 :: 0.8270 HD23 :: 0.8270 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 :: 123.2450 Ave N Shift Values>> N :: 121.86(3.9) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.87 D 0.05 Y 0.03 E 0.01 C Shift Assignments>> C :: 173.8460 CA :: 51.2330 CB :: 37.3950 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 :: 8.0040 HA :: 4.9990 HB2 :: 3.3670 HB3 :: 2.6580 HD21 :: 6.6290 HD22 :: 8.4790 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 :: 112.7230 ND2 :: 113.2980 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 I 0.21 K 0.16 R 0.01 C Shift Assignments>> C :: 175.1720 CA :: 57.3510 CB :: 28.2210 CG :: 36.3710 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 :: 7.6420 HA :: 3.9520 HB2 :: 1.7820 HB3 :: 2.2570 HG2 :: 2.2400 HG3 :: 2.0700 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 :: 115.7980 Ave N Shift Values>> N :: 120.67(3.48) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.42 L 0.22 N 0.21 K 0.07 Y 0.04 R 0.01 HN Overlap>> 1.E61 1.E61 C Shift Assignments>> C :: 178.1290 CA :: 52.6380 CB :: 41.2140 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 :: 8.4730 HA :: 4.8390 HB2 :: 3.1140 HB3 :: 2.3690 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 :: 117.4530 Ave N Shift Values>> N :: 120.65(3.86) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 173.7170 CA :: 45.3170 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.1390 HA2 :: 4.1990 HA3 :: 3.5950 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.4900 Ave N Shift Values>> N :: 109.67(3.87) 1.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 G 0.25 K 0.15 C Shift Assignments>> C :: 175.6020 CA :: 53.8320 CB :: 33.6640 CG :: 26.6630 CD :: 43.3980 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 :: 7.9940 HA :: 4.7880 HB2 :: 1.7270 HB3 :: 1.7270 HG2 :: 1.5620 HG3 :: 1.4450 HD2 :: 3.0920 HD3 :: 3.1390 HE :: 6.9830 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.1540 NE :: 84.9200 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.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.6440 CA :: 61.7290 CB :: 31.6660 CG1 :: 22.2900 CG2 :: 21.2500 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.1150 HA :: 4.7900 HB :: 2.1690 HG11 :: 0.7850 HG12 :: 0.7850 HG13 :: 0.7850 HG21 :: 0.7780 HG22 :: 0.7780 HG23 :: 0.7780 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 :: 126.3920 Ave N Shift Values>> N :: 121.14(4.54) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.23 L 0.05 Y 0.04 C Shift Assignments>> C :: 176.4670 CA :: 52.0400 CB :: 39.1870 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 :: 10.0770 HA :: 4.8750 HB2 :: 3.6370 HB3 :: 3.1440 HD21 :: 7.8990 HD22 :: 7.5060 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 126.7370 ND2 :: 113.9180 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.6710 CA :: 62.3750 CB :: 62.3750 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9360 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 :: 113.4090 Ave N Shift Values>> N :: 116.28(3.52) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.3200 CA :: 66.7130 CB :: 67.7870 CG2 :: 22.2830 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 :: 8.1240 HA :: 4.1120 HB :: 4.3200 HG21 :: 1.2220 HG22 :: 1.2220 HG23 :: 1.2220 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.8850 Ave N Shift Values>> N :: 115.42(4.75) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Y 0.26 L 0.15 I 0.09 R 0.08 D 0.05 C Shift Assignments>> C :: 177.0330 CA :: 58.8200 CB :: 41.7080 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 :: 7.5600 HA :: 4.3700 HB2 :: 3.2390 HB3 :: 3.1510 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 :: 120.4010 Ave N Shift Values>> N :: 120.65(3.86) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.11 G 0.01 C Shift Assignments>> C :: 177.4410 CA :: 58.1370 CB :: 41.8470 CG :: 26.7500 CD1 :: 26.3500 CD2 :: 23.4100 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 :: 7.1340 HA :: 4.1880 HB2 :: 2.2770 HB3 :: 1.2160 HG :: 1.6850 HD11 :: 0.9720 HD12 :: 0.9720 HD13 :: 0.9720 HD21 :: 1.0900 HD22 :: 1.0900 HD23 :: 1.0900 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 :: 118.1740 Ave N Shift Values>> N :: 121.86(3.9) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 P 0.06 A 0.05 L 0.04 N 0.01 C Shift Assignments>> C :: 176.7640 CA :: 47.6420 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0340 HA2 :: 4.0530 HA3 :: 3.8400 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.5960 Ave N Shift Values>> N :: 109.67(3.87) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.1120 CA :: 65.3880 CB :: 38.2580 CG1 :: 29.4680 CG2 :: 19.3250 CD1 :: 15.3100 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 :: 7.6110 HA :: 3.4490 HB :: 1.8680 HG12 :: 0.8140 HG13 :: 1.9250 HG21 :: 0.7650 HG22 :: 0.7650 HG23 :: 0.7650 HD11 :: 0.9600 HD12 :: 0.9600 HD13 :: 0.9600 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 :: 122.0430 Ave N Shift Values>> N :: 121.46(4.28) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 K 0.27 L 0.18 D 0.1 I 0.08 R 0.03 C Shift Assignments>> C :: 175.3400 CA :: 58.1950 CB :: 41.2210 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 :: 8.3230 HA :: 3.9410 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.7870 Ave N Shift Values>> N :: 121.86(3.9) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.16 G 0.01 C Shift Assignments>> C :: 179.0670 CA :: 60.6510 CB :: 32.0090 CG :: 25.5230 CD :: 29.6090 CE :: 41.8650 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 :: 8.3560 HA :: 3.8840 HB2 :: 1.9100 HB3 :: 1.9100 HG2 :: 1.3800 HG3 :: 1.3800 HD2 :: 1.6920 HD3 :: 1.7390 HE2 :: 2.9450 HE3 :: 2.9450 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 :: 116.8330 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 R 0.43 K 0.01 C Shift Assignments>> C :: 178.2230 CA :: 60.3510 CB :: 30.7800 CG :: 27.7770 CD :: 44.3300 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 :: 7.5430 HA :: 3.9160 HB2 :: 1.7330 HB3 :: 1.8750 HG2 :: 2.0430 HG3 :: 1.6030 HD2 :: 2.9500 HD3 :: 3.1640 HE :: 7.2200 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.0920 NE :: 84.2590 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.Y57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 180.0090 CA :: 61.5790 CB :: 38.8360 CD1 :: 132.8960 CD2 :: 132.8960 CE1 :: 118.2920 CE2 :: 118.2920 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.5920 HA :: 4.3920 HB2 :: 3.2870 HB3 :: 2.8450 HD1 :: 6.7330 HD2 :: 6.7330 HE1 :: 6.6190 HE2 :: 6.6190 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.1870 Ave N Shift Values>> N :: 120.52(4.2) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.1860 CA :: 64.7680 CB :: 37.7200 CG1 :: 29.6790 CG2 :: 17.2820 CD1 :: 14.1830 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.7790 HA :: 3.6800 HB :: 1.9700 HG12 :: 1.7550 HG13 :: 1.2020 HG21 :: 0.9380 HG22 :: 0.9380 HG23 :: 0.9380 HD11 :: 0.7880 HD12 :: 0.7880 HD13 :: 0.7880 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 :: 122.8250 Ave N Shift Values>> N :: 121.46(4.28) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.08 A 0.07 G 0.02 C Shift Assignments>> C :: 175.9370 CA :: 55.5120 CB :: 42.4260 CG :: 27.0000 CD1 :: 25.2370 CD2 :: 22.4560 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 :: 7.5390 HA :: 4.2230 HB2 :: 1.7480 HB3 :: 1.7480 HG :: 1.7510 HD11 :: 0.8390 HD12 :: 0.8390 HD13 :: 0.8390 HD21 :: 0.8780 HD22 :: 0.8780 HD23 :: 0.8780 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 :: 118.5520 Ave N Shift Values>> N :: 121.86(3.9) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 K 0.22 L 0.15 G 0.02 C Shift Assignments>> C :: 176.5350 CA :: 57.2910 CB :: 28.2000 CG :: 24.7370 CD :: 28.5500 CE :: 42.3500 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 :: 7.8150 HA :: 3.9950 HB2 :: 1.9580 HB3 :: 2.1250 HG2 :: 1.2470 HG3 :: 1.2860 HD2 :: 1.6200 HD3 :: 1.6200 HE2 :: 2.9480 HE3 :: 2.9480 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 :: 113.6500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.85 I 0.08 K 0.06 HN Overlap>> 1.D43 1.D43 C Shift Assignments>> C :: 176.9920 CA :: 57.6890 CB :: 30.6920 CG :: 36.4410 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 :: 8.4380 HA :: 4.1440 HB2 :: 1.8240 HB3 :: 2.1340 HG2 :: 2.2530 HG3 :: 2.2530 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.5350 Ave N Shift Values>> N :: 120.67(3.48) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 G 0.01 C Shift Assignments>> C :: 175.4250 CA :: 59.9260 CB :: 41.7480 CG1 :: 26.1250 CG2 :: 17.8690 CD1 :: 14.3930 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 :: 6.8670 HA :: 4.3830 HB :: 1.5440 HG12 :: 0.5730 HG13 :: 1.2120 HG21 :: 0.6660 HG22 :: 0.6660 HG23 :: 0.6660 HD11 :: 0.5090 HD12 :: 0.5090 HD13 :: 0.5090 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 :: 112.1020 Ave N Shift Values>> N :: 121.46(4.28) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.24 K 0.19 R 0.13 Y 0.05 N 0.03 C Shift Assignments>> C :: 176.2020 CA :: 54.8180 CB :: 42.2170 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 :: 8.5610 HA :: 4.6740 HB2 :: 2.8470 HB3 :: 2.6650 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 :: 119.7190 Ave N Shift Values>> N :: 120.65(3.86) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 170.8540 CA :: 61.2690 CB :: 71.9930 CG2 :: 20.9450 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.4100 HA :: 4.7120 HB :: 4.0390 HG21 :: 1.1880 HG22 :: 1.1880 HG23 :: 1.1880 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.2890 Ave N Shift Values>> N :: 115.42(4.75) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.39 A 0.01 C Shift Assignments>> C :: 174.7630 CA :: 51.6350 CB :: 44.5200 CG :: 26.7910 CD1 :: 24.3260 CD2 :: 25.2420 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 :: 7.8770 HA :: 4.2290 HB2 :: 0.5220 HB3 :: 1.2980 HG :: 0.7860 HD11 :: 0.6530 HD12 :: 0.6530 HD13 :: 0.6530 HD21 :: 0.0110 HD22 :: 0.0110 HD23 :: 0.0110 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 :: 121.0120 Ave N Shift Values>> N :: 121.86(3.9) 1.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.57 P 0.36 G 0.04 S 0.01 C Shift Assignments>> C :: 174.4190 CA :: 62.3100 CB :: 35.2260 CG :: 24.2550 CD :: 50.1060 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 :: 3.9920 HB2 :: 1.6410 HB3 :: 1.5780 HG2 :: 1.3370 HG3 :: 1.4340 HD2 :: 2.6270 HD3 :: 3.2880 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.Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.4460 CA :: 58.0110 CB :: 41.0810 CD1 :: 133.4890 CD2 :: 133.4890 CE1 :: 118.4390 CE2 :: 118.4390 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.6620 HA :: 4.6560 HB2 :: 2.9080 HB3 :: 2.7650 HD1 :: 7.1520 HD2 :: 7.1520 HE1 :: 6.8640 HE2 :: 6.8640 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.6160 Ave N Shift Values>> N :: 120.52(4.2) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 C Shift Assignments>> C :: 174.7480 CA :: 55.6030 CB :: 32.7700 CG :: 24.3800 CD :: 28.7640 CE :: 41.8660 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 :: 8.1120 HA :: 4.2680 HB2 :: 1.7840 HB3 :: 1.4410 HG2 :: 1.1710 HG3 :: 1.1710 HD2 :: 1.5340 HD3 :: 1.5340 HE2 :: 2.8430 HE3 :: 2.8430 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 :: 126.2230 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.21 L 0.2 Y 0.15 K 0.03 I 0.01 C Shift Assignments>> C :: 179.0320 CA :: 54.7840 CB :: 40.2460 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 :: 6.9140 HA :: 4.3290 HB2 :: 2.7060 HB3 :: 2.3430 HD21 :: 6.7270 HD22 :: 7.3140 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.9640 ND2 :: 112.0130 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 69 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 69 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 69 #Suspicious: 0 C Shift Results: #Consistent: 299 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 482 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 78 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0