Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.45 C 0.39 A 0.14 C Shift Assignments>> C :: 175.8780 CA :: 55.6290 CB :: 32.8770 CG :: 32.3780 CE :: 17.2290 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.3510 HB2 :: 2.0940 HB3 :: 1.8750 HG2 :: 2.4900 HG3 :: 2.5580 HE1 :: 2.0620 HE2 :: 2.0620 HE3 :: 2.0620 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.27 C 0.02 C Shift Assignments>> CA :: 53.2260 CB :: 18.9000 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.0952 HA :: 4.3348 HB1 :: 1.4064 HB2 :: 1.4064 HB3 :: 1.4064 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.8907 Ave N Shift Values>> N :: 123.23(3.7) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.24 L 0.21 K 0.15 C 0.1 F 0.08 Y 0.06 N 0.06 R 0.06 C Shift Assignments>> C :: 176.1130 CA :: 54.5680 CB :: 41.5270 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> HA :: 4.6820 HB2 :: 2.7080 HB3 :: 2.6410 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T122 1.T122 C Shift Assignments>> C :: 174.4930 CA :: 58.7340 CB :: 63.9630 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.3365 HA :: 4.3920 HB2 :: 3.8370 HB3 :: 3.8370 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.9116 Ave N Shift Values>> N :: 116.3(3.95) 1.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.21 E 0.14 M 0.08 R 0.03 C Shift Assignments>> C :: 175.3970 CA :: 55.6380 CB :: 29.4810 CG :: 34.2060 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.4319 HA :: 4.4240 HB2 :: 2.1670 HB3 :: 1.9830 HG2 :: 2.4230 HG3 :: 2.4230 HE21 :: 7.4150 HE22 :: 6.7090 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.6042 NE2 :: 113.1110 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.17 L 0.17 C 0.11 K 0.07 F 0.05 Y 0.04 R 0.02 C Shift Assignments>> CA :: 52.5590 CB :: 41.2270 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.2901 HA :: 4.9000 HB2 :: 2.9820 HB3 :: 2.6980 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.5219 Ave N Shift Values>> N :: 120.73(4.2) 1.P7 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 :: 178.4640 CA :: 65.5210 CB :: 32.3900 CG :: 27.3100 CD :: 50.3010 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.5270 HB2 :: 2.5390 HB3 :: 2.0970 HG2 :: 2.1600 HG3 :: 2.1600 HD2 :: 3.7500 HD3 :: 3.7500 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.2 Y 0.15 C 0.14 L 0.11 R 0.07 I 0.05 D 0.04 HN Overlap>> 1.L127 1.L127 C Shift Assignments>> CA :: 58.3730 CB :: 41.5080 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.3829 HA :: 4.1440 HD11 :: 0.9851 HD12 :: 0.9851 HD13 :: 0.9851 HD21 :: 0.9851 HD22 :: 0.9851 HD23 :: 0.9851 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.3972 Ave N Shift Values>> N :: 121.98(4.07) 1.H9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.21 C 0.14 W 0.14 K 0.1 E 0.09 R 0.09 Q 0.07 H 0.06 V 0.01 P 0.01 L 0.01 M 0.01 C Shift Assignments>> C :: 177.3240 CA :: 59.9880 CB :: 28.5140 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.7470 HB2 :: 3.7480 HB3 :: 3.7480 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.32 I 0.17 K 0.08 Q 0.04 M 0.03 HN Overlap>> 1.L79 1.L79 C Shift Assignments>> C :: 178.8990 CA :: 59.7030 CB :: 29.6430 CG :: 35.8770 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.2196 HA :: 4.1920 HB2 :: 2.0990 HB3 :: 2.0990 HG2 :: 2.3340 HG3 :: 2.3340 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.4332 Ave N Shift Values>> N :: 120.68(3.68) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.38 K 0.11 G 0.08 C Shift Assignments>> C :: 179.9790 CA :: 60.0300 CB :: 31.5240 CG :: 27.4630 CD :: 43.3040 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.8266 HA :: 4.0000 HB2 :: 2.1020 HB3 :: 2.1020 HG2 :: 1.5787 HD2 :: 3.1490 HD3 :: 3.1490 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.9656 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.T122 1.T122 C Shift Assignments>> C :: 175.1320 CA :: 67.6980 CB :: 68.8900 CG2 :: 22.1700 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.2791 HA :: 3.7530 HB :: 4.6850 HG21 :: 1.4730 HG22 :: 1.4730 HG23 :: 1.4730 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.7474 Ave N Shift Values>> N :: 115.7(5.05) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.41 K 0.08 G 0.06 C Shift Assignments>> C :: 178.4820 CA :: 61.2530 CB :: 29.4810 CG :: 27.2710 CD :: 42.6990 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.4360 HA :: 3.6340 HB2 :: 1.7730 HB3 :: 1.7730 HG2 :: 1.4710 HG3 :: 1.4710 HD2 :: 2.8326 HD3 :: 2.8326 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.2886 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 G 0.12 K 0.07 HN Overlap>> 1.R140 1.R140 C Shift Assignments>> C :: 178.2310 CA :: 59.5910 CB :: 30.2620 CG :: 28.2250 CD :: 43.6250 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.3163 HA :: 3.9020 HB2 :: 1.7750 HB3 :: 1.7750 HG2 :: 1.5940 HG3 :: 1.8440 HD2 :: 3.1770 HD3 :: 3.1770 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.8780 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.56 C 0.41 C Shift Assignments>> C :: 177.7960 CA :: 57.3720 CB :: 41.1960 CG :: 26.4900 CD1 :: 23.0000 CD2 :: 23.1130 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.3366 HA :: 4.0520 HB2 :: 1.1200 HB3 :: 1.3400 HG :: 0.5861 HD11 :: 0.3300 HD12 :: 0.3300 HD13 :: 0.3300 HD21 :: -0.5700(S) HD22 :: -0.5700(S) HD23 :: -0.5700(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.7764 Ave N Shift Values>> N :: 121.98(4.07) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.33 R 0.17 G 0.11 C Shift Assignments>> C :: 178.2920 CA :: 57.9790 CB :: 43.4670 CG :: 26.8820 CD1 :: 26.7900 CD2 :: 22.6330 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.9037 HA :: 3.8490 HB2 :: 1.9960 HB3 :: 1.3040 HG :: 2.0070 HD11 :: 0.9890 HD12 :: 0.9890 HD13 :: 0.9890 HD21 :: 0.7530 HD22 :: 0.7530 HD23 :: 0.7530 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.4359 Ave N Shift Values>> N :: 121.98(4.07) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.5100 CA :: 62.4160 CB :: 63.0170 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.2399 HA :: 4.1650 HB2 :: 3.9080 HB3 :: 3.9080 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.7115 Ave N Shift Values>> N :: 116.3(3.95) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.19 C 0.14 K 0.09 F 0.08 Y 0.06 G 0.05 D 0.03 I 0.01 C Shift Assignments>> C :: 178.6220 CA :: 57.7860 CB :: 43.3340 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.9494 HA :: 4.1890 HB2 :: 2.6380 HB3 :: 2.9630 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.6469 Ave N Shift Values>> N :: 120.73(4.2) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 F 0.2 C 0.15 Y 0.15 C Shift Assignments>> C :: 178.0930 CA :: 62.3620 CB :: 40.0410 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.3839 HA :: 4.5310 HB2 :: 3.4000 HB3 :: 3.4000 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.2116 Ave N Shift Values>> N :: 120.79(4.69) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 I 0.1 M 0.01 C Shift Assignments>> C :: 177.8960 CA :: 62.6130 CB :: 34.1860 CG1 :: 27.5030 CG2 :: 17.3020 CD1 :: 8.2240 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.7975 HA :: 3.4600 HB :: 2.0630 HG12 :: 2.0210 HG13 :: 1.2300 HG21 :: 0.6925 HG22 :: 0.6925 HG23 :: 0.6925 HD11 :: 0.6282 HD12 :: 0.6282 HD13 :: 0.6282 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.2731 Ave N Shift Values>> N :: 121.6(4.72) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.35 C Shift Assignments>> C :: 179.5780 CA :: 63.0020 CB :: 37.1960 CD1 :: 132.1370 CD2 :: 132.1370 CE1 :: 131.0870 CE2 :: 131.0870 CZ :: 129.9870 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.9745 HA :: 4.1720 HB2 :: 2.9850 HB3 :: 3.2480 HD1 :: 7.6326 HD2 :: 7.6326 HE1 :: 7.2996 HE2 :: 7.2996 HZ :: 7.4127 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.0437 Ave N Shift Values>> N :: 120.69(4.18) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 178.3540 CA :: 61.5820 CB :: 38.1160 CD1 :: 132.0850 CD2 :: 132.0850 CE1 :: 131.0870 CE2 :: 131.0870 CZ :: 129.9870 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.0723 HA :: 4.1870 HB2 :: 3.6510 HB3 :: 3.4247 HD1 :: 7.1921 HD2 :: 7.1921 HE1 :: 7.2996 HE2 :: 7.2996 HZ :: 7.4322 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.1315 Ave N Shift Values>> N :: 120.69(4.18) 1.C23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 I 0.38 C 0.05 W 0.01 R 0.01 C Shift Assignments>> C :: 175.2400 CA :: 63.6390 CB :: 27.2780 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.0379 HA :: 3.4560 HB2 :: 2.6260 HB3 :: 2.6260 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.7738 Ave N Shift Values>> N :: 119.95(4.79) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.12 C 0.04 L 0.02 C Shift Assignments>> C :: 176.1470 CA :: 51.2910 CB :: 20.4000 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.2921 HA :: 4.3520 HB1 :: 1.1620 HB2 :: 1.1620 HB3 :: 1.1620 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.6180 Ave N Shift Values>> N :: 123.23(3.7) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 G 0.1 K 0.07 L 0.02 C Shift Assignments>> C :: 175.2210 CA :: 55.9500 CB :: 29.9130 CG :: 27.7120 CD :: 43.6280 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.7204 HA :: 4.1910 HB2 :: 1.8710 HB3 :: 1.6560 HG2 :: 1.5900 HG3 :: 1.5900 HD2 :: 2.8900 HD3 :: 2.8900 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.6250 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 K 0.12 Q 0.05 I 0.04 M 0.03 C Shift Assignments>> CA :: 55.2990 CB :: 28.9670 CG :: 36.3600 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.6358 HA :: 4.3552 HB2 :: 2.1320 HB3 :: 2.1320 HG2 :: 2.3850 HG3 :: 2.3850 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.4771 Ave N Shift Values>> N :: 120.68(3.68) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.14 C Shift Assignments>> C :: 176.3980 CA :: 64.2990 CB :: 31.9800 CG :: 27.8370 CD :: 50.9510 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.2790 HB2 :: 2.2740 HB3 :: 1.8770 HG2 :: 1.9190 HG3 :: 1.9190 HD2 :: 3.7260 HD3 :: 3.6390 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 N 0.2 C 0.16 Y 0.14 F 0.13 L 0.08 K 0.01 I 0.01 C Shift Assignments>> C :: 175.6060 CA :: 54.8100 CB :: 39.5320 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.5438 HA :: 4.4610 HB2 :: 2.7970 HB3 :: 2.7970 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.4512 Ave N Shift Values>> N :: 120.73(4.2) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> CA :: 59.6560 CB :: 70.4610 CG2 :: 22.0730 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.4946 HA :: 4.7410 HB :: 4.2290 HG21 :: 1.2660 HG22 :: 1.2660 HG23 :: 1.2660 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.8918 Ave N Shift Values>> N :: 115.7(5.05) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.7500 CA :: 62.8900 CB :: 31.9610 CG :: 27.8630 CD :: 51.0010 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.4100 HB2 :: 2.3330 HB3 :: 1.8180 HG2 :: 2.0020 HG3 :: 2.0020 HD2 :: 3.8790 HD3 :: 3.6680 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 K 0.21 E 0.12 M 0.11 R 0.03 C Shift Assignments>> CA :: 55.0550 CB :: 29.7030 CG :: 33.9920 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.8180 HA :: 4.4004 HB2 :: 2.1600 HB3 :: 2.1600 HG2 :: 2.3600 HG3 :: 2.3600 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.0993 Ave N Shift Values>> N :: 120.68(3.68) 1.P32 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 178.5030 CA :: 62.5223 CB :: 31.9750 CG :: 27.6920 CD :: 51.0700 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.6650 HB2 :: 2.0410 HB3 :: 1.8020 HG2 :: 2.0470 HG3 :: 2.0470 HD2 :: 3.6350 HD3 :: 3.6350 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.T35 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 :: 173.6870 CA :: 62.6180 CB :: 70.7400 CG2 :: 22.2320 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.3825 HA :: 4.1974 HB :: 4.4810 HG21 :: 1.3090 HG22 :: 1.3090 HG23 :: 1.3090 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.9868 Ave N Shift Values>> N :: 115.7(5.05) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 C Shift Assignments>> C :: 174.8720 CA :: 57.8510 CB :: 66.1050 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.3126 HA :: 4.6030 HB2 :: 3.9300 HB3 :: 3.9300 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.5239 Ave N Shift Values>> N :: 116.3(3.95) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 178.9810 CA :: 66.5210 CB :: 31.5900 CG1 :: 21.5450 CG2 :: 21.5450 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.7928 HA :: 3.8670 HB :: 2.1820 HG11 :: 1.1295 HG12 :: 1.1295 HG13 :: 1.1295 HG21 :: 1.1295 HG22 :: 1.1295 HG23 :: 1.1295 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.9759 Ave N Shift Values>> N :: 121.02(4.96) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 R 0.16 C 0.16 W 0.07 K 0.06 L 0.05 Q 0.05 P 0.04 H 0.03 E 0.03 C Shift Assignments>> C :: 177.2140 CA :: 59.9160 CB :: 26.6360 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.6196 HA :: 4.3680 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.8163 Ave N Shift Values>> N :: 120.68(3.68) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.35 I 0.03 C 0.03 C Shift Assignments>> C :: 180.1020 CA :: 55.2690 CB :: 18.3670 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.3028 HA :: 3.7290 HB1 :: 1.3910 HB2 :: 1.3910 HB3 :: 1.3910 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.1037 Ave N Shift Values>> N :: 123.23(3.7) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.37 I 0.03 C 0.03 V 0.01 C Shift Assignments>> C :: 180.6330 CA :: 55.2300 CB :: 18.4970 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.6746 HA :: 3.8110 HB1 :: 1.5550 HB2 :: 1.5550 HB3 :: 1.5550 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.0115 Ave N Shift Values>> N :: 123.23(3.7) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.31 R 0.14 G 0.04 HN Overlap>> 1.D124 1.D124 C Shift Assignments>> C :: 179.1530 CA :: 57.5140 CB :: 42.8240 CG :: 27.0020 CD1 :: 25.1200 CD2 :: 25.8100 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.5162 HA :: 4.1820 HB2 :: 1.8145 HB3 :: 1.5910 HG :: 1.5910 HD11 :: 0.9000 HD12 :: 0.9000 HD13 :: 0.9000 HD21 :: 0.8100 HD22 :: 0.8100 HD23 :: 0.8100 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.5339 Ave N Shift Values>> N :: 121.98(4.07) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 L 0.38 R 0.14 K 0.03 C Shift Assignments>> C :: 179.9450 CA :: 58.0030 CB :: 41.5670 CG :: 27.2230 CD1 :: 24.0930 CD2 :: 26.9620 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.7270 HA :: 4.0310 HB2 :: 1.5420 HB3 :: 1.5420 HG :: 1.6590 HD11 :: 0.6000 HD12 :: 0.6000 HD13 :: 0.6000 HD21 :: 0.2730 HD22 :: 0.2730 HD23 :: 0.2730 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.1024 Ave N Shift Values>> N :: 121.98(4.07) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.38 G 0.12 K 0.05 HN Overlap>> 1.K77 1.K77 C Shift Assignments>> C :: 177.3940 CA :: 60.9400 CB :: 29.8850 CG :: 26.8040 CD :: 43.3350 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.3810 HA :: 3.9310 HB2 :: 1.8320 HB3 :: 1.8320 HG2 :: 1.6300 HG3 :: 1.6300 HD2 :: 3.1870 HD3 :: 3.1870 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.6705 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.M101 1.M101 C Shift Assignments>> C :: 177.5730 CA :: 61.6240 CB :: 63.0770 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.2861 HA :: 4.3120 HB2 :: 4.0400 HB3 :: 4.0400 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.3850 Ave N Shift Values>> N :: 116.3(3.95) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 179.1100 CA :: 65.9260 CB :: 32.2970 CG1 :: 21.5490 CG2 :: 21.1130 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.6722 HA :: 3.9250 HB :: 1.7890 HG11 :: 0.6810 HG12 :: 0.6810 HG13 :: 0.6810 HG21 :: 0.5610 HG22 :: 0.5610 HG23 :: 0.5610 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.1784 Ave N Shift Values>> N :: 121.02(4.96) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.9930 CA :: 66.0150 CB :: 69.9710 CG2 :: 22.1720 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.0368 HA :: 3.9170 HB :: 4.1410 HG21 :: 1.2030 HG22 :: 1.2030 HG23 :: 1.2030 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.0789 Ave N Shift Values>> N :: 115.7(5.05) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.12 K 0.04 C Shift Assignments>> C :: 178.6860 CA :: 59.8510 CB :: 29.7650 CG :: 27.4210 CD :: 43.5200 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.4717 HA :: 4.3230 HB3 :: 2.0890 HG2 :: 1.8780 HG3 :: 2.1570 HD2 :: 3.3480 HD3 :: 3.3480 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.0247 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.23 Q 0.22 E 0.09 R 0.08 I 0.03 M 0.02 P 0.01 C Shift Assignments>> C :: 178.5040 CA :: 59.1850 CB :: 28.3080 CG :: 33.6900 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.3856 HA :: 4.1790 HB2 :: 2.2700 HB3 :: 2.2700 HG2 :: 2.5230 HG3 :: 2.4260 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.0871 NE2 :: 111.3160 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 178.7250 CA :: 64.3100 CB :: 37.6390 CG1 :: 28.6530 CG2 :: 19.3320 CD1 :: 13.2100 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.7896 HA :: 4.0610 HB :: 2.0390 HG12 :: 1.7080 HG13 :: 1.6180 HG21 :: 1.1270 HG22 :: 1.1270 HG23 :: 1.1270 HD11 :: 0.9100 HD12 :: 0.9100 HD13 :: 0.9100 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.5536 Ave N Shift Values>> N :: 121.6(4.72) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.17 K 0.17 E 0.13 I 0.09 R 0.04 P 0.01 C Shift Assignments>> C :: 177.9170 CA :: 59.5870 CB :: 27.7320 CG :: 34.5210 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.6348 HA :: 3.9680 HB2 :: 2.4290 HB3 :: 2.1010 HG2 :: 2.6180 HG3 :: 2.0760 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.5549 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.22 K 0.22 E 0.16 R 0.04 I 0.04 M 0.02 C Shift Assignments>> C :: 177.6330 CA :: 58.6590 CB :: 28.6430 CG :: 34.3160 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.6837 HA :: 4.1760 HB2 :: 2.3030 HB3 :: 2.2420 HG2 :: 2.4830 HG3 :: 2.5780 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.2990 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.09 M 0.08 K 0.05 Q 0.03 HN Overlap>> 1.T99 1.T99 C Shift Assignments>> C :: 177.4880 CA :: 58.2900 CB :: 30.4840 CG :: 36.2390 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.9514 HA :: 4.1270 HB2 :: 1.9990 HB3 :: 1.8050 HG2 :: 2.3980 HG3 :: 2.3980 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.7718 Ave N Shift Values>> N :: 120.68(3.68) 1.H53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.41 W 0.3 C 0.27 C Shift Assignments>> C :: 174.6450 CA :: 54.7880 CB :: 28.0750 CD2 :: 120.5280 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.8779 HA :: 5.0580 HB2 :: 2.4450 HB3 :: 2.9920 HD2 :: 7.4180 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 115.3895 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.21 Q 0.19 E 0.11 I 0.05 R 0.05 P 0.02 M 0.02 HN Overlap>> 1.I120 1.I120 C Shift Assignments>> C :: 178.2260 CA :: 60.2240 CB :: 28.9100 CG :: 33.8260 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.5190 HA :: 4.1770 HB2 :: 2.4120 HB3 :: 2.2070 HG2 :: 2.5080 HG3 :: 2.5080 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.0125 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.33 E 0.25 K 0.05 Q 0.01 C Shift Assignments>> C :: 178.7620 CA :: 59.9940 CB :: 28.5690 CG :: 36.5680 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.0745 HA :: 4.2040 HB2 :: 2.1300 HB3 :: 2.1300 HG2 :: 2.4450 HG3 :: 2.3580 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.9066 Ave N Shift Values>> N :: 120.68(3.68) 1.F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> C :: 177.7670 CA :: 60.0280 CB :: 39.3850 CD1 :: 131.9450 CD2 :: 131.9450 CE1 :: 131.1960 CE2 :: 131.1960 CZ :: 129.5170 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.0690 HA :: 4.6130 HB2 :: 3.4620 HB3 :: 2.9920 HD1 :: 7.1100 HD2 :: 7.1100 HE1 :: 7.2476 HE2 :: 7.2476 HZ :: 7.0200 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.6975 Ave N Shift Values>> N :: 120.69(4.18) 1.F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.46 C Shift Assignments>> C :: 178.1420 CA :: 59.0590 CB :: 37.6400 CD1 :: 131.8500 CD2 :: 131.8500 CE1 :: 131.1260 CE2 :: 131.1260 CZ :: 129.9370 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.3783 HA :: 4.3910 HB2 :: 3.4810 HB3 :: 3.4430 HD1 :: 7.4200 HD2 :: 7.4200 HE1 :: 7.2846 HE2 :: 7.2846 HZ :: 7.4100 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.8810 Ave N Shift Values>> N :: 120.69(4.18) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.9410 CA :: 61.8460 CB :: 63.3260 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.6123 HA :: 4.3800 HB2 :: 4.0560 HB3 :: 4.0560 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.5908 Ave N Shift Values>> N :: 116.3(3.95) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.1610 CA :: 61.3270 CB :: 63.2480 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.0854 HA :: 4.3190 HB2 :: 3.9400 HB3 :: 3.9400 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.1220 Ave N Shift Values>> N :: 116.3(3.95) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.39 C 0.21 C Shift Assignments>> C :: 176.8080 CA :: 60.1660 CB :: 39.6960 CD1 :: 131.9250 CD2 :: 131.9250 CZ :: 129.5600 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.9091 HA :: 4.3190 HB2 :: 3.0590 HB3 :: 2.8730 HD1 :: 7.1178 HD2 :: 7.1178 HZ :: 7.0400 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.6228 Ave N Shift Values>> N :: 120.69(4.18) 1.C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.14 R 0.11 W 0.09 P 0.08 K 0.06 Q 0.05 E 0.04 H 0.04 L 0.02 C Shift Assignments>> C :: 174.8320 CA :: 60.6010 CB :: 27.5810 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.7170 HA :: 4.3600 HB2 :: 3.0800 HB3 :: 3.0020 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.4153 Ave N Shift Values>> N :: 119.95(4.79) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 K 0.11 I 0.08 Q 0.05 M 0.04 C Shift Assignments>> C :: 176.6450 CA :: 57.4530 CB :: 29.4090 CG :: 36.1650 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.7868 HA :: 4.2410 HB2 :: 2.1500 HB3 :: 2.0330 HG2 :: 2.4300 HG3 :: 2.3390 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.8671 Ave N Shift Values>> N :: 120.68(3.68) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.4200 CA :: 59.1280 CB :: 63.8590 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.9125 HA :: 4.3240 HB2 :: 3.9030 HB3 :: 3.9030 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.9118 Ave N Shift Values>> N :: 116.3(3.95) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.09 G 0.09 L 0.01 C Shift Assignments>> C :: 176.2740 CA :: 56.4530 CB :: 30.2780 CG :: 27.5900 CD :: 43.5370 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.1739 HA :: 4.3230 HB2 :: 1.9190 HB3 :: 1.8030 HG2 :: 1.6760 HG3 :: 1.3950 HD2 :: 3.1860 HD3 :: 3.1860 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.6933 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.2000 CA :: 45.2000 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.0788 HA2 :: 3.8710 HA3 :: 3.8710 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.7533 Ave N Shift Values>> N :: 109.91(4.29) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.17 C 0.16 Y 0.07 F 0.05 L 0.03 E 0.01 C Shift Assignments>> C :: 175.461 CA :: 52.8930 CB :: 38.6930 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.2514 HA :: 4.6950 HB2 :: 2.9250 HB3 :: 2.9250 HD21 :: 7.6060 HD22 :: 6.9063 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.7899 ND2 :: 112.7890 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.39 G 0.14 K 0.04 HN Overlap>> 1.W87 1.W87 1.V129 1.V129 C Shift Assignments>> C :: 177.5090 CA :: 61.2470 CB :: 30.7280 CG :: 26.5900 CD :: 43.3600 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.6883 HA :: 3.8676 HB2 :: 1.4740 HB3 :: 1.4740 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.0786 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.41 R 0.05 HN Overlap>> 1.Q73 1.Q73 C Shift Assignments>> C :: 178.1840 CA :: 58.1410 CB :: 40.9440 CG :: 27.3930 CD1 :: 25.8850 CD2 :: 23.2230 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.2829 HA :: 3.8020 HB2 :: 1.8400 HB3 :: 1.8400 HG :: 1.3450 HD11 :: 0.9340 HD12 :: 0.9340 HD13 :: 0.9340 HD21 :: 0.6890 HD22 :: 0.6890 HD23 :: 0.6890 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.2144 Ave N Shift Values>> N :: 121.98(4.07) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.21 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.3260 CA :: 59.1960 CB :: 29.0260 CG :: 36.4120 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.8159 HA :: 3.7930 HB2 :: 2.0240 HB3 :: 2.0240 HG2 :: 2.2930 HG3 :: 2.2930 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.7672 Ave N Shift Values>> N :: 120.68(3.68) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.39 G 0.03 R 0.01 HN Overlap>> 1.Y106 1.Y106 C Shift Assignments>> C :: 179.8010 CA :: 58.3100 CB :: 42.5260 CG :: 26.7510 CD1 :: 23.1040 CD2 :: 23.1040 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.9419 HA :: 4.1873 HB2 :: 1.5015 HB3 :: 2.1088 HG :: 1.8559 HD11 :: 0.9740 HD12 :: 0.9740 HD13 :: 0.9740 HD21 :: 0.9740 HD22 :: 0.9740 HD23 :: 0.9740 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.6857 Ave N Shift Values>> N :: 121.98(4.07) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C 0.01 HN Overlap>> 1.V119 1.V119 C Shift Assignments>> C :: 177.1810 CA :: 68.0670 CB :: 31.5220 CG1 :: 22.2100 CG2 :: 22.2100 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.9811 HA :: 3.6170 HB :: 2.1550 HG11 :: 1.0580 HG12 :: 1.0580 HG13 :: 1.0580 HG21 :: 1.0580 HG22 :: 1.0580 HG23 :: 1.0580 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.0750 Ave N Shift Values>> N :: 121.02(4.96) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.41 R 0.12 M 0.02 HN Overlap>> 1.A97 1.A97 C Shift Assignments>> C :: 179.2480 CA :: 60.3350 CB :: 31.9870 CG :: 24.6200 CD :: 29.6870 CE :: 41.8000 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.2650 HA :: 3.7200 HB2 :: 1.7080 HB3 :: 1.5610 HG2 :: 1.0990 HG3 :: 0.5210 HD2 :: 1.4590 HD3 :: 1.4590 HE2 :: 2.8290 HE3 :: 2.6780 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.8146 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.2 Q 0.2 E 0.17 I 0.05 R 0.03 M 0.01 HN Overlap>> 1.L68 1.L68 C Shift Assignments>> C :: 179.6780 CA :: 58.9820 CB :: 28.5970 CG :: 34.4540 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.2155 HA :: 4.1690 HB2 :: 2.2500 HB3 :: 2.2500 HG2 :: 2.4290 HG3 :: 2.6820 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.2120 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.48 A 0.02 C Shift Assignments>> C :: 178.3020 CA :: 56.6530 CB :: 31.0560 CG :: 31.6030 CE :: 15.4830 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.2803 HA :: 4.2440 HB2 :: 1.7960 HB3 :: 1.7960 HG2 :: 2.3271 HG3 :: 2.3271 HE1 :: 1.8400 HE2 :: 1.8400 HE3 :: 1.8400 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.2812 Ave N Shift Values>> N :: 120.1(3.88) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.24 I 0.07 C 0.03 V 0.01 C Shift Assignments>> C :: 179.1850 CA :: 56.0170 CB :: 18.3470 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.9202 HA :: 3.8810 HB1 :: 1.7020 HB2 :: 1.7020 HB3 :: 1.7020 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.5391 Ave N Shift Values>> N :: 123.23(3.7) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.16 K 0.14 C 0.14 L 0.14 D 0.12 I 0.03 R 0.02 N 0.02 C Shift Assignments>> C :: 177.5820 CA :: 56.8870 CB :: 40.8110 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.8832 HA :: 4.4700 HB2 :: 2.8380 HB3 :: 2.7340 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.2243 Ave N Shift Values>> N :: 120.73(4.2) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.17 M 0.02 G 0.01 HN Overlap>> 1.R43 1.R43 C Shift Assignments>> C :: 178.4410 CA :: 58.2110 CB :: 33.0750 CG :: 24.9770 CD :: 29.0090 CE :: 42.2410 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.4211 HA :: 4.2070 HB2 :: 2.0020 HB3 :: 2.0020 HG2 :: 1.4600 HG3 :: 1.4600 HD2 :: 1.6070 HD3 :: 1.6070 HE2 :: 2.9849 HE3 :: 2.9849 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.6593 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 C 0.35 G 0.25 A 0.02 HN Overlap>> 1.N130 1.N130 C Shift Assignments>> C :: 176.5930 CA :: 56.5760 CB :: 44.1380 CG :: 26.9630 CD1 :: 22.3830 CD2 :: 22.3830 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.1852 HA :: 4.3480 HB2 :: 1.6050 HB3 :: 1.3650 HG :: 1.7700 HD11 :: 0.8590 HD12 :: 0.8590 HD13 :: 0.8590 HD21 :: 0.8590 HD22 :: 0.8590 HD23 :: 0.8590 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.1052 Ave N Shift Values>> N :: 121.98(4.07) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.35 R 0.19 G 0.03 A 0.01 HN Overlap>> 1.E10 1.E10 C Shift Assignments>> C :: 176.8470 CA :: 54.2820 CB :: 42.4460 CG :: 29.0720 CD1 :: 24.0230 CD2 :: 24.5430 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.2196 HA :: 4.6130 HB2 :: 1.7140 HB3 :: 1.4160 HG :: 1.2770 HD11 :: 0.1360 HD12 :: 0.1360 HD13 :: 0.1360 HD21 :: 0.3710 HD22 :: 0.3710 HD23 :: 0.3710 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.4332 Ave N Shift Values>> N :: 121.98(4.07) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.3280 CA :: 59.1200 CB :: 63.9620 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.7858 HA :: 4.4480 HB2 :: 4.0410 HB3 :: 3.9470 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.9317 Ave N Shift Values>> N :: 116.3(3.95) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.37 R 0.2 M 0.03 G 0.01 C Shift Assignments>> C :: 176.2680 CA :: 58.1980 CB :: 32.4180 CG :: 24.8850 CD :: 29.4650 CE :: 42.4240 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.5280 HA :: 4.1770 HB2 :: 1.8610 HB3 :: 1.8610 HG2 :: 1.4720 HG3 :: 1.4720 HD2 :: 1.6580 HD3 :: 1.6580 HE2 :: 2.9760 HE3 :: 2.9760 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.6469 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.22 K 0.15 C 0.1 F 0.07 R 0.06 N 0.06 Y 0.06 C Shift Assignments>> C :: 175.1780 CA :: 54.4100 CB :: 41.6170 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.1785 HA :: 4.6300 HB2 :: 2.7280 HB3 :: 2.5610 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.6388 Ave N Shift Values>> N :: 120.73(4.2) 1.Q83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 C 0.26 Q 0.22 K 0.1 E 0.09 R 0.01 C Shift Assignments>> C :: 175.4390 CA :: 55.0650 CB :: 31.1360 CG :: 33.6900 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.6418 HA :: 4.4350 HB2 :: 2.1020 HB3 :: 1.8780 HG2 :: 2.3600 HG3 :: 2.3600 HE21 :: 7.4962 HE22 :: 6.7937 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.0872 NE2 :: 112.1180 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.18 L 0.14 C 0.11 F 0.07 Y 0.06 K 0.06 R 0.01 C Shift Assignments>> C :: 175.9290 CA :: 53.6030 CB :: 40.6570 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.4517 HA :: 4.6930 HB2 :: 2.3840 HB3 :: 2.1280 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.8053 Ave N Shift Values>> N :: 120.73(4.2) 1.F85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.45 HN Overlap>> 1.A143 1.A143 C Shift Assignments>> C :: 174.2890 CA :: 57.2840 CB :: 39.8130 CD1 :: 132.8560 CD2 :: 132.8560 CE1 :: 131.2300 CE2 :: 131.2300 CZ :: 128.5200 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.5530 HA :: 4.9090 HB2 :: 3.0550 HB3 :: 3.2240 HD1 :: 7.0600 HD2 :: 7.0600 HE1 :: 6.8300 HE2 :: 6.8300 HZ :: 6.6810 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.5083 Ave N Shift Values>> N :: 120.69(4.18) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.86 T 0.13 C Shift Assignments>> C :: 176.060 CA :: 55.2750 CB :: 66.6580 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.5856 HA :: 4.6460 HB2 :: 3.9160 HB3 :: 4.2820 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.0827 Ave N Shift Values>> N :: 116.3(3.95) 1.W87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 W 0.28 HN Overlap>> 1.R67 1.V129 1.R67 1.V129 C Shift Assignments>> C :: 179.4510 CA :: 60.0120 CB :: 31.0220 CE3 :: 119.1800 CZ2 :: 116.6600 CZ3 :: 121.7600 CH2 :: 124.6000 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.6883 HA :: 4.8830 HB2 :: 3.4110 HB3 :: 3.4110 HD1 :: 7.0200 HE1 :: 10.4770 HE3 :: 7.7110 HZ2 :: 7.2650 HZ3 :: 6.4700 HH2 :: 6.2510 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.0786 NE1 :: 127.5580 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.7630 CA :: 62.5210 CB :: 62.5210 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.4349 HA :: 4.3228 HB2 :: 4.0480 HB3 :: 4.0480 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.3971 Ave N Shift Values>> N :: 116.3(3.95) 1.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.26 K 0.14 I 0.12 Q 0.11 M 0.02 R 0.01 C Shift Assignments>> C :: 177.7020 CA :: 59.5850 CB :: 29.0680 CG :: 35.2020 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.6849 HA :: 4.0720 HB2 :: 2.0640 HB3 :: 2.0640 HG2 :: 2.4800 HG3 :: 2.4800 HE21 :: 7.5599 HE22 :: 6.8479 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.4801 NE2 :: 111.4820 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 L 0.39 R 0.15 K 0.02 C Shift Assignments>> C :: 179.0200 CA :: 58.3350 CB :: 41.4760 CG :: 27.7800 CD1 :: 24.1330 CD2 :: 26.1220 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.6444 HA :: 3.9240 HB2 :: 1.3300 HB3 :: 2.2440 HG :: 1.6140 HD11 :: 0.7600 HD12 :: 0.7600 HD13 :: 0.7600 HD21 :: 1.0850 HD22 :: 1.0850 HD23 :: 1.0850 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.9479 Ave N Shift Values>> N :: 121.98(4.07) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.7590 CA :: 67.1140 CB :: 31.2350 CG1 :: 22.7230 CG2 :: 23.2400 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.0324 HA :: 3.7340 HB :: 2.2080 HG11 :: 1.2780 HG12 :: 1.2780 HG13 :: 1.2780 HG21 :: 1.0210 HG22 :: 1.0210 HG23 :: 1.0210 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.7511 Ave N Shift Values>> N :: 121.02(4.96) 1.M92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.38 I 0.01 C Shift Assignments>> C :: 177.3300 CA :: 59.9780 CB :: 32.0890 CG :: 32.9610 CE :: 15.1990 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.0553 HA :: 4.2580 HB2 :: 2.3430 HB3 :: 2.3430 HG2 :: 2.5410 HG3 :: 2.5410 HE1 :: 2.1799 HE2 :: 2.1799 HE3 :: 2.1799 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.4482 Ave N Shift Values>> N :: 120.1(3.88) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.38 R 0.05 C Shift Assignments>> C :: 178.3220 CA :: 58.3450 CB :: 41.2020 CG :: 26.9690 CD1 :: 25.9090 CD2 :: 24.4842 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.7316 HA :: 3.9900 HB2 :: 1.4245 HB3 :: 1.4245 HD11 :: 0.8350 HD12 :: 0.8350 HD13 :: 0.8350 HD21 :: 0.8350 HD22 :: 0.8350 HD23 :: 0.8350 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.7320 Ave N Shift Values>> N :: 121.98(4.07) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.47 R 0.01 HN Overlap>> 1.E146 1.E146 C Shift Assignments>> C :: 178.7000 CA :: 58.5560 CB :: 40.3290 CG :: 27.1000 CD1 :: 25.4590 CD2 :: 24.1420 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.3213 HA :: 4.0150 HB2 :: 1.7690 HB3 :: 1.1760 HG :: 1.9390 HD11 :: 0.7720 HD12 :: 0.7720 HD13 :: 0.7720 HD21 :: 0.7720 HD22 :: 0.7720 HD23 :: 0.7720 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.2606 Ave N Shift Values>> N :: 121.98(4.07) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.44 C 0.03 I 0.01 C Shift Assignments>> C :: 180.1710 CA :: 54.6690 CB :: 18.9560 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.1959 HA :: 4.4200 HB1 :: 1.7290 HB2 :: 1.7290 HB3 :: 1.7290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.9617 Ave N Shift Values>> N :: 123.23(3.7) 1.F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 C 0.31 HN Overlap>> 1.L145 1.L145 C Shift Assignments>> C :: 176.2590 CA :: 61.2780 CB :: 38.8100 CD1 :: 131.5960 CD2 :: 131.5960 CE1 :: 131.3940 CE2 :: 131.3940 CZ :: 129.3170 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.4296 HA :: 3.5690 HB2 :: 3.0950 HB3 :: 2.6840 HD1 :: 6.4900 HD2 :: 6.4900 HE1 :: 6.9590 HE2 :: 6.9590 HZ :: 7.1700 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.4073 Ave N Shift Values>> N :: 120.69(4.18) 1.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.35 I 0.03 C 0.02 HN Overlap>> 1.K72 1.K72 C Shift Assignments>> CA :: 55.1420 CB :: 18.0180 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.3023 HA :: 3.5500 HB1 :: 1.4460 HB2 :: 1.4460 HB3 :: 1.4460 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.7903 Ave N Shift Values>> N :: 123.23(3.7) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 C 0.15 A 0.12 G 0.1 N 0.06 D 0.02 C Shift Assignments>> C :: 176.8540 CA :: 48.5870 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.5055 HA2 :: 3.5040 HA3 :: 3.5040 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.33 Ave N Shift Values>> N :: 109.91(4.29) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.E52 1.E52 C Shift Assignments>> C :: 176.6920 CA :: 66.1270 CB :: 68.7780 CG2 :: 22.2030 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.9514 HA :: 3.9920 HB :: 4.2280 HG21 :: 1.2580 HG22 :: 1.2580 HG23 :: 1.2580 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.7718 Ave N Shift Values>> N :: 115.7(5.05) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.34 C Shift Assignments>> C :: 178.5730 CA :: 56.5810 CB :: 41.7744 CG :: 26.1130 CD1 :: 23.6130 CD2 :: 23.6130 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.2985 HA :: 3.8930 HB2 :: 1.5440 HB3 :: 1.0700 HG :: 1.1500 HD11 :: 0.5400 HD12 :: 0.5400 HD13 :: 0.5400 HD21 :: 0.5400 HD22 :: 0.5400 HD23 :: 0.5400 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.0661 Ave N Shift Values>> N :: 121.98(4.07) 1.M101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.36 A 0.24 HN Overlap>> 1.S44 1.S44 C Shift Assignments>> C :: 175.7600 CA :: 53.8130 CB :: 34.1720 CG :: 33.9820 CE :: 16.2830 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.1846 HA :: 4.4240 HB2 :: 1.7020 HB3 :: 1.7020 HG2 :: 2.4200 HG3 :: 2.4200 HE1 :: 1.9300 HE2 :: 1.9300 HE3 :: 1.9300 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 113.4304 Ave N Shift Values>> N :: 120.1(3.88) 1.N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 N 0.22 C 0.14 F 0.1 Y 0.1 L 0.1 K 0.02 C Shift Assignments>> C :: 175.6230 CA :: 54.2610 CB :: 39.9020 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.2795 HA :: 4.5570 HB2 :: 2.8300 HB3 :: 2.8300 HD21 :: 6.8980 HD22 :: 7.6470 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.3545 ND2 :: 112.3060 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.19 E 0.16 M 0.11 R 0.02 C Shift Assignments>> C :: 176.1300 CA :: 55.7070 CB :: 29.7880 CG :: 34.3220 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.5742 HA :: 4.3750 HB2 :: 2.2540 HB3 :: 1.9480 HG2 :: 2.3600 HG3 :: 2.3600 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.5896 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> CA :: 45.5500 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.1651 HA2 :: 3.9280 HA3 :: 3.9280 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.9472 Ave N Shift Values>> N :: 109.91(4.29) 1.P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.0370 CA :: 63.7120 CB :: 32.2810 CG :: 27.2880 CD :: 50.2430 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.3550 HB2 :: 2.1760 HB3 :: 1.7900 HG2 :: 1.9350 HG3 :: 1.9350 HD2 :: 3.5450 HD3 :: 3.5450 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Y106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> C :: 175.9860 CA :: 58.2480 CB :: 38.1930 CD1 :: 133.0970 CD2 :: 133.0970 CE1 :: 118.3470 CE2 :: 118.3470 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.0188 HA :: 4.4970 HB2 :: 3.0920 HB3 :: 2.9900 HD1 :: 7.0900 HD2 :: 7.0900 HE1 :: 6.8300 HE2 :: 6.8300 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.6611 Ave N Shift Values>> N :: 120.79(4.69) 1.M107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.43 A 0.06 C Shift Assignments>> C :: 175.5040 CA :: 55.7630 CB :: 32.9030 CG :: 32.4890 CE :: 16.0730 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.9292 HA :: 4.4080 HB2 :: 2.0360 HB3 :: 2.0360 HG2 :: 2.5250 HG3 :: 2.4340 HE1 :: 2.0800 HE2 :: 2.0800 HE3 :: 2.0800 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.3468 Ave N Shift Values>> N :: 120.1(3.88) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.24 C 0.02 C Shift Assignments>> C :: 177.9220 CA :: 52.9860 CB :: 18.9840 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.1693 HA :: 4.2830 HB1 :: 1.4050 HB2 :: 1.4050 HB3 :: 1.4050 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.1542 Ave N Shift Values>> N :: 123.23(3.7) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 176.4520 CA :: 62.8930 CB :: 32.5640 CG1 :: 20.9700 CG2 :: 20.9700 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.8113 HA :: 4.0670 HB :: 2.1170 HG11 :: 0.9390 HG12 :: 0.9390 HG13 :: 0.9390 HG21 :: 0.9390 HG22 :: 0.9390 HG23 :: 0.9390 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.3342 Ave N Shift Values>> N :: 121.02(4.96) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.36 R 0.22 M 0.02 G 0.01 HN Overlap>> 1.L115 1.L115 C Shift Assignments>> C :: 176.6900 CA :: 57.1460 CB :: 32.9340 CG :: 25.0930 CD :: 29.2750 CE :: 42.4310 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.2639 HA :: 4.2300 HB2 :: 1.8310 HB3 :: 1.7880 HG2 :: 1.4530 HG3 :: 1.4120 HD2 :: 1.6810 HD3 :: 1.6810 HE2 :: 2.9900 HE3 :: 2.9900 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.9456 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.22 E 0.14 M 0.08 R 0.03 C Shift Assignments>> C :: 175.8640 CA :: 56.0620 CB :: 29.4770 CG :: 34.0560 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.0950 HA :: 4.3440 HB2 :: 2.0210 HB3 :: 2.0070 HG2 :: 2.3620 HG3 :: 2.3620 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.3556 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.25 R 0.25 G 0.07 M 0.03 C Shift Assignments>> C :: 176.7510 CA :: 56.9740 CB :: 32.8220 CG :: 25.0600 CD :: 29.4840 CE :: 43.4740 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.2089 HA :: 4.2970 HB2 :: 1.8110 HB3 :: 1.8110 HG2 :: 1.4630 HG3 :: 1.4630 HD2 :: 1.7150 HD3 :: 1.7150 HE2 :: 3.0210 HE3 :: 3.0210 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.5433 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.1 G 0.09 HN Overlap>> 1.D114 1.D114 C Shift Assignments>> C :: 176.0150 CA :: 56.5970 CB :: 30.7660 CG :: 27.4300 CD :: 43.5790 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.3108 HA :: 4.3000 HB2 :: 1.8230 HB3 :: 1.8230 HG2 :: 1.6360 HG3 :: 1.6360 HD2 :: 3.1800 HD3 :: 3.1800 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.2937 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.19 K 0.12 C 0.11 N 0.09 F 0.08 Y 0.07 R 0.03 HN Overlap>> 1.R113 1.R113 C Shift Assignments>> C :: 176.6610 CA :: 54.3550 CB :: 41.1900 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.3007 HA :: 4.6370 HB2 :: 2.7410 HB3 :: 2.7410 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.2232 Ave N Shift Values>> N :: 120.73(4.2) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.35 R 0.02 G 0.01 HN Overlap>> 1.K110 1.K110 C Shift Assignments>> C :: 178.3540 CA :: 56.5810 CB :: 42.0100 CG :: 27.2650 CD1 :: 23.4320 CD2 :: 23.6640 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.2673 HA :: 4.2300 HB2 :: 1.7080 HB3 :: 1.7080 HG :: 1.6800 HD11 :: 0.9310 HD12 :: 0.9310 HD13 :: 0.9310 HD21 :: 0.8760 HD22 :: 0.8760 HD23 :: 0.8760 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.9136 Ave N Shift Values>> N :: 121.98(4.07) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 174.9250 CA :: 46.0150 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.4519 HA2 :: 3.9430 HA3 :: 3.9430 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.7177 Ave N Shift Values>> N :: 109.91(4.29) 1.N117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 D 0.2 C 0.17 Y 0.12 F 0.1 L 0.05 E 0.01 I 0.01 C Shift Assignments>> C :: 176.5220 CA :: 54.3560 CB :: 39.0360 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.9621 HA :: 4.6650 HB2 :: 2.9010 HB3 :: 2.9010 HD21 :: 7.7828 HD22 :: 6.9628 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.9684 ND2 :: 113.1930 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.36 K 0.1 G 0.04 L 0.03 C Shift Assignments>> C :: 178.2920 CA :: 58.2600 CB :: 29.3290 CG :: 27.5900 CD :: 42.8840 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.4853 HA :: 4.0970 HB2 :: 1.9955 HB3 :: 1.9955 HG2 :: 1.8040 HG3 :: 1.8040 HD2 :: 3.2390 HD3 :: 3.2390 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.2481 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> 1.V71 1.V71 C Shift Assignments>> C :: 178.1290 CA :: 66.1290 CB :: 31.5220 CG1 :: 22.2110 CG2 :: 21.0420 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.9811 HA :: 3.8090 HB :: 2.1673 HG11 :: 1.0740 HG12 :: 1.0740 HG13 :: 1.0740 HG21 :: 0.9710 HG22 :: 0.9710 HG23 :: 0.9710 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.0757 Ave N Shift Values>> N :: 121.02(4.96) 1.I120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 HN Overlap>> 1.Q54 1.Q54 C Shift Assignments>> C :: 177.6780 CA :: 63.7340 CB :: 37.3290 CG1 :: 28.6610 CG2 :: 17.9990 CD1 :: 12.1200 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.4305 HA :: 3.7980 HB :: 2.0720 HG12 :: 1.5960 HG13 :: 1.2880 HG21 :: 0.9250 HG22 :: 0.9250 HG23 :: 0.9250 HD11 :: 0.8670 HD12 :: 0.8670 HD13 :: 0.8670 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.0524 Ave N Shift Values>> N :: 121.6(4.72) 1.V121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 178.3300 CA :: 66.9690 CB :: 32.0020 CG1 :: 22.5370 CG2 :: 22.5370 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.9917 HA :: 3.6080 HB :: 2.1800 HG11 :: 1.0820 HG12 :: 1.0820 HG13 :: 1.0820 HG21 :: 1.0820 HG22 :: 1.0820 HG23 :: 1.0820 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.4816 Ave N Shift Values>> N :: 121.02(4.96) 1.T122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.S4 1.S4 1.T12 1.T12 C Shift Assignments>> C :: 176.1980 CA :: 67.8190 CB :: 68.7570 CG2 :: 22.0810 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.2956 HA :: 3.8490 HB :: 4.3210 HG21 :: 1.3820 HG22 :: 1.3820 HG23 :: 1.3820 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.8489 Ave N Shift Values>> N :: 115.7(5.05) 1.R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 G 0.17 K 0.02 C Shift Assignments>> C :: 178.7130 CA :: 59.9050 CB :: 29.7590 CG :: 27.4630 CD :: 43.8210 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.9378 HA :: 4.0920 HB2 :: 2.0450 HB3 :: 2.0450 HG2 :: 1.5600 HG3 :: 1.5600 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.9288 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.25 C 0.18 I 0.09 D 0.06 L 0.06 K 0.03 N 0.01 E 0.01 HN Overlap>> 1.L41 1.L41 C Shift Assignments>> C :: 178.7660 CA :: 57.9150 CB :: 39.8390 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.5162 HA :: 4.5230 HB2 :: 2.8550 HB3 :: 2.3740 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.5339 Ave N Shift Values>> N :: 120.73(4.2) 1.C125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 I 0.4 C 0.04 V 0.01 C Shift Assignments>> C :: 176.5190 CA :: 64.7430 CB :: 27.2680 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.4906 HA :: 3.6570 HB2 :: 2.9610 HB3 :: 2.9610 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.9677 Ave N Shift Values>> N :: 119.95(4.79) 1.C126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 I 0.39 C 0.05 W 0.01 R 0.01 C Shift Assignments>> C :: 177.5650 CA :: 63.5680 CB :: 26.6880 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.8475 HA :: 4.1150 HB2 :: 3.2201 HB3 :: 3.0137 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.0007 Ave N Shift Values>> N :: 119.95(4.79) 1.L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.41 G 0.05 R 0.01 HN Overlap>> 1.L8 1.L8 C Shift Assignments>> C :: 180.5580 CA :: 58.3730 CB :: 42.7450 CG :: 26.9220 CD1 :: 22.9150 CD2 :: 22.9150 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.3829 HA :: 4.1550 HB2 :: 1.5620 HB3 :: 2.1110 HD11 :: 0.9550 HD12 :: 0.9550 HD13 :: 0.9550 HD21 :: 0.9550 HD22 :: 0.9550 HD23 :: 0.9550 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.3972 Ave N Shift Values>> N :: 121.98(4.07) 1.I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 HN Overlap>> 1.V129 1.V129 C Shift Assignments>> C :: 177.8050 CA :: 66.1780 CB :: 37.6850 CG2 :: 17.6830 CD1 :: 13.8400 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.5901 HA :: 3.7500 HB :: 2.0198 HG21 :: 0.9300 HG22 :: 0.9300 HG23 :: 0.9300 HD11 :: 0.7200 HD12 :: 0.7200 HD13 :: 0.7200 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.9399 Ave N Shift Values>> N :: 121.6(4.72) 1.V129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 HN Overlap>> 1.I128 1.W87 1.R67 1.I128 1.W87 1.R67 C Shift Assignments>> C :: 177.3690 CA :: 68.3840 CB :: 31.5930 CG1 :: 23.3300 CG2 :: 22.9080 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.6416 HA :: 4.1404 HG11 :: 1.0210 HG12 :: 1.0210 HG13 :: 1.0210 HG21 :: 1.2760 HG22 :: 1.2760 HG23 :: 1.2760 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.9903 Ave N Shift Values>> N :: 121.02(4.96) 1.N130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.23 F 0.19 E 0.07 I 0.07 D 0.06 N 0.05 L 0.02 M 0.01 HN Overlap>> 1.L78 1.L78 C Shift Assignments>> C :: 177.4250 CA :: 56.9050 CB :: 38.4340 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.1668 HA :: 4.4650 HB2 :: 2.9500 HB3 :: 2.9500 HD21 :: 7.6516 HD22 :: 6.9668 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.0249 ND2 :: 112.3320 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 C 0.31 C Shift Assignments>> C :: 177.3250 CA :: 61.8000 CB :: 39.8750 CD1 :: 132.4370 CD2 :: 132.4370 CE1 :: 131.9270 CE2 :: 131.9270 CZ :: 128.8370 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.3133 HA :: 4.3420 HB2 :: 3.0140 HB3 :: 3.4360 HD1 :: 6.9700 HD2 :: 6.9700 HE1 :: 7.1900 HE2 :: 7.1900 HZ :: 7.1700 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.0394 Ave N Shift Values>> N :: 120.69(4.18) 1.L132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.41 G 0.1 A 0.01 C Shift Assignments>> C :: 177.5560 CA :: 57.7530 CB :: 43.0430 CD1 :: 22.5330 CD2 :: 22.5330 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.5991 HA :: 3.6270 HB2 :: 2.0990 HB3 :: 1.1690 HD11 :: 0.8220 HD12 :: 0.8220 HD13 :: 0.8220 HD21 :: 0.8220 HD22 :: 0.8220 HD23 :: 0.8220 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.1443 Ave N Shift Values>> N :: 121.98(4.07) 1.Y133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 175.7060 CA :: 62.2350 CB :: 38.9730 CD1 :: 132.5260 CD2 :: 132.5260 CE1 :: 118.6770 CE2 :: 118.6770 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.9289 HA :: 3.7680 HB2 :: 2.9300 HB3 :: 2.9300 HD1 :: 6.8900 HD2 :: 6.8900 HE1 :: 7.1500 HE2 :: 7.1500 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.4618 Ave N Shift Values>> N :: 120.79(4.69) 1.N134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.22 F 0.16 N 0.11 E 0.08 D 0.07 I 0.04 L 0.02 M 0.01 C Shift Assignments>> C :: 177.9230 CA :: 56.1110 CB :: 38.2430 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.1551 HA :: 4.0120 HB2 :: 2.8590 HB3 :: 2.6180 HD21 :: 6.9438 HD22 :: 7.4814 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.5166 ND2 :: 112.9940 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.36 R 0.04 G 0.02 C Shift Assignments>> C :: 179.3660 CA :: 57.8650 CB :: 42.4950 CG :: 27.3270 CD1 :: 23.7000 CD2 :: 23.7010 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.9786 HA :: 3.9380 HB2 :: 0.8640 HB3 :: 0.8640 HD11 :: 0.9100 HD12 :: 0.9100 HD13 :: 0.9100 HD21 :: 0.9100 HD22 :: 0.9100 HD23 :: 0.9100 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.3188 Ave N Shift Values>> N :: 121.98(4.07) 1.L136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.34 R 0.13 G 0.01 C Shift Assignments>> C :: 175.1650 CA :: 57.4130 CB :: 42.2040 CG :: 27.5120 CD1 :: 25.1930 CD2 :: 22.6390 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.8515 HA :: 3.8760 HB2 :: 1.3370 HB3 :: 1.3370 HG :: 1.7900 HD11 :: 0.9040 HD12 :: 0.9040 HD13 :: 0.9040 HD21 :: 0.5990 HD22 :: 0.5990 HD23 :: 0.5990 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.4403 Ave N Shift Values>> N :: 121.98(4.07) 1.M137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 A 0.35 C 0.27 C Shift Assignments>> C :: 178.0780 CA :: 53.5000 CB :: 33.7820 CE :: 17.2830 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.5046 HA :: 4.5300 HB2 :: 1.6841 HB3 :: 1.8635 HG2 :: 2.6300 HG3 :: 2.6300 HE1 :: 2.2500 HE2 :: 2.2500 HE3 :: 2.2500 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 108.0069 Ave N Shift Values>> N :: 120.1(3.88) 1.G138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.6510 CA :: 45.3210 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.3776 HA2 :: 4.1010 HA3 :: 4.1010 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.2008 Ave N Shift Values>> N :: 109.91(4.29) 1.R139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.13 K 0.03 C Shift Assignments>> C :: 178.5840 CA :: 60.7610 CB :: 30.3140 CG :: 27.1200 CD :: 43.4760 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.2870 HA :: 3.8820 HB2 :: 1.8750 HB3 :: 1.8750 HG2 :: 1.7100 HG3 :: 1.7100 HD2 :: 3.2510 HD3 :: 3.2510 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.2796 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 K 0.1 G 0.06 HN Overlap>> 1.R14 1.R14 C Shift Assignments>> C :: 178.9510 CA :: 59.1380 CB :: 29.8470 CG :: 27.9070 CD :: 43.1980 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.3497 HA :: 4.0510 HB2 :: 1.6820 HB3 :: 1.6820 HG2 :: 1.5240 HG3 :: 1.5240 HD2 :: 3.1910 HD3 :: 3.1910 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.9350 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.H141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 H 0.32 C 0.31 C Shift Assignments>> C :: 177.3160 CA :: 58.3200 CB :: 30.5200 CD2 :: 119.9000 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.9006 HA :: 4.8890 HB2 :: 3.3720 HB3 :: 3.1810 HD2 :: 7.3880 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.5923 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.36 G 0.23 K 0.01 C Shift Assignments>> C :: 178.6780 CA :: 60.4950 CB :: 29.4570 CG :: 27.4930 CD :: 43.9540 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.0543 HA :: 4.0480 HB2 :: 2.0130 HB3 :: 1.7280 HG2 :: 1.6200 HG3 :: 1.6200 HD2 :: 3.3700 HD3 :: 3.3700 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.3917 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.42 I 0.02 C 0.02 HN Overlap>> 1.F85 1.F85 C Shift Assignments>> C :: 180.8670 CA :: 54.6390 CB :: 17.8340 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.5529 HA :: 4.1700 HB1 :: 1.4570 HB2 :: 1.4570 HB3 :: 1.4570 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.5083 Ave N Shift Values>> N :: 123.23(3.7) 1.R144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 C 0.3 K 0.2 L 0.07 G 0.05 I 0.02 C Shift Assignments>> C :: 176.9300 CA :: 57.3430 CB :: 29.2590 CD :: 43.2070 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.5787 HA :: 3.9070 HB2 :: 1.7290 HB3 :: 1.9800 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.7277 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.34 R 0.06 G 0.02 HN Overlap>> 1.F96 1.F96 C Shift Assignments>> C :: 179.8250 CA :: 58.3060 CB :: 42.4860 CG :: 27.1410 CD1 :: 24.4160 CD2 :: 24.4160 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.4296 HA :: 3.5680 HB2 :: 1.6900 HB3 :: 1.6900 HG :: 1.6530 HD11 :: 0.9700 HD12 :: 0.9700 HD13 :: 0.9700 HD21 :: 0.7620 HD22 :: 0.7620 HD23 :: 0.7620 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.4073 Ave N Shift Values>> N :: 121.98(4.07) 1.E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 C 0.33 E 0.22 K 0.01 HN Overlap>> 1.L94 1.L94 C Shift Assignments>> C :: 180.8040 CA :: 60.2730 CB :: 29.3960 CG :: 37.4860 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.3213 HA :: 3.8630 HB2 :: 2.0310 HB3 :: 2.0310 HG2 :: 2.4640 HG3 :: 2.1630 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.2606 Ave N Shift Values>> N :: 120.68(3.68) 1.A147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.37 I 0.03 C 0.02 C Shift Assignments>> C :: 180.1160 CA :: 55.0610 CB :: 18.0140 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.2527 HA :: 4.1230 HB1 :: 1.4740 HB2 :: 1.4740 HB3 :: 1.4740 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.9313 Ave N Shift Values>> N :: 123.23(3.7) 1.L148 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.4 C 0.33 A 0.22 G 0.01 R 0.01 C Shift Assignments>> C :: 177.0450 CA :: 55.1650 CB :: 42.1040 CG :: 26.0130 CD1 :: 21.3130 CD2 :: 23.9900 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.6440 HA :: 4.1170 HB2 :: 1.3740 HB3 :: 1.3740 HG :: 1.0100 HD11 :: 0.3100 HD12 :: 0.3100 HD13 :: 0.3100 HD21 :: -0.7600(S) HD22 :: -0.7600(S) HD23 :: -0.7600(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.3914 Ave N Shift Values>> N :: 121.98(4.07) 1.G149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 176.8090 CA :: 45.0590 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.0022 HA2 :: 4.3740 HA3 :: 4.3740 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.4608 Ave N Shift Values>> N :: 109.91(4.29) 1.G150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.18 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.1970 CA :: 44.6760 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.9210 HA2 :: 3.0000 HA3 :: 4.1150 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.0172 Ave N Shift Values>> N :: 109.91(4.29) 1.W151 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.52 C 0.42 H 0.05 C Shift Assignments>> C :: 179.1300 CA :: 58.1400 CB :: 28.4490 CD1 :: 127.6400 CE3 :: 119.0800 CZ3 :: 121.3400 CH2 :: 124.8300 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.3577 HA :: 4.7004 HB2 :: 3.1610 HB3 :: 3.1610 HD1 :: 5.6600(A) HE1 :: 10.1140 HE3 :: 7.7130 HZ2 :: 7.2520 HZ3 :: 6.4750 HH2 :: 6.2450 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.7068 NE1 :: 128.4150 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 C 0.18 I 0.1 L 0.06 K 0.05 D 0.04 C Shift Assignments>> C :: 179.0020 CA :: 58.3710 CB :: 40.1430 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.8307 HA :: 4.7620 HB2 :: 2.8570 HB3 :: 2.8570 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.6828 Ave N Shift Values>> N :: 120.73(4.2) 1.G153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 176.3960 CA :: 47.1910 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.7667 HA2 :: 4.3280 HA3 :: 3.9290 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.1254 Ave N Shift Values>> N :: 109.91(4.29) 1.F154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 F 0.2 Y 0.19 C 0.17 E 0.01 C Shift Assignments>> C :: 175.9220 CA :: 61.2520 CB :: 39.0540 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.8664 HA :: 4.3400 HB2 :: 2.7550 HB3 :: 2.3460 HZ :: 7.2040 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.5265 Ave N Shift Values>> N :: 120.69(4.18) 1.C155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.43 I 0.41 C 0.07 R 0.02 W 0.01 C Shift Assignments>> C :: 176.4750 CA :: 62.8990 CB :: 26.4110 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.6588 HA :: 3.9470 HB2 :: 3.4312 HB3 :: 2.8175 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.6724 Ave N Shift Values>> N :: 119.95(4.79) 1.R156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.38 G 0.13 K 0.07 C Shift Assignments>> C :: 177.9920 CA :: 58.7360 CB :: 30.6680 CG :: 25.8100 CD :: 43.7790 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.7583 HA :: 4.0990 HB2 :: 1.9270 HB3 :: 1.9270 HG2 :: 1.6619 HG3 :: 1.6619 HD2 :: 3.3990 HD3 :: 3.3990 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.7446 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 176.9530 CA :: 61.3920 CB :: 39.5560 CD1 :: 132.1260 CD2 :: 132.1260 CE1 :: 131.2870 CE2 :: 131.2870 CZ :: 129.6890 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.0708 HA :: 3.9310 HB2 :: 2.9230 HB3 :: 2.2260 HD1 :: 6.0340 HD2 :: 6.0340 HE1 :: 7.1455 HE2 :: 7.1455 HZ :: 7.2900 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.9807 Ave N Shift Values>> N :: 120.69(4.18) 1.F158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 Y 0.32 C 0.3 C Shift Assignments>> C :: 174.8480 CA :: 59.1720 CB :: 39.6170 CD1 :: 132.7360 CD2 :: 132.7360 CE1 :: 131.3470 CE2 :: 131.3470 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.1208 HA :: 4.3600 HB2 :: 3.1030 HB3 :: 2.1020 HD1 :: 6.7500 HD2 :: 6.7500 HE1 :: 7.1400 HE2 :: 7.1400 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.7192 Ave N Shift Values>> N :: 120.69(4.18) 1.K159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.18 M 0.04 G 0.01 C Shift Assignments>> C :: 175.1800 CA :: 57.3490 CB :: 32.8100 CG :: 24.5810 CD :: 29.4170 CE :: 42.3690 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.3459 HA :: 4.1640 HB2 :: 1.8570 HB3 :: 1.8570 HG2 :: 1.4430 HG3 :: 1.4430 HD2 :: 1.6630 HD3 :: 1.6630 HE2 :: 2.9940 HE3 :: 2.9940 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.4455 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.16 C 0.12 F 0.12 Y 0.1 K 0.1 N 0.09 R 0.01 C Shift Assignments>> CA :: 55.0610 CB :: 40.7070 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.8670 HA :: 4.4180 HB2 :: 2.6980 HB3 :: 2.6980 HD21 :: 7.3740 HD22 :: 6.7050 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.8539 ND2 :: 110.1800 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) ########################################################################### Overall Results: #Consistent: 157 #Clerical: 0 #Suspicious: 2 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 158 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 160 #Suspicious: 0 C Shift Results: #Consistent: 699 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1089 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 1 N Shift Results: #Consistent: 162 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L15 HD21 = -0.5700(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.0342e-06 1.L15 HD22 = -0.5700(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.0342e-06 1.L15 HD23 = -0.5700(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.0342e-06 1.L148 HD21 = -0.7600(S), Expected = 0.76, Std = 0.2800, ChiSquare = 5.6807e-08 1.L148 HD22 = -0.7600(S), Expected = 0.76, Std = 0.2800, ChiSquare = 5.6807e-08 1.L148 HD23 = -0.7600(S), Expected = 0.76, Std = 0.2800, ChiSquare = 5.6807e-08 1.W151 HD1 = 5.6600(A), Expected = 7.16, Std = 0.3400, ChiSquare = 1.0253e-05