Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 R 0.14 E 0.13 W 0.13 Q 0.12 C 0.12 K 0.08 M 0.07 I 0.01 C Shift Assignments>> C :: 175.261 CA :: 56.458 CB :: 30.308 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 :: 9.012 HA :: 4.667 HB2 :: 3.235 HB3 :: 3.079 HD2 :: 7.120 HE1 :: 7.202 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 :: 120.952 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.500 CA :: 45.217 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.860 HA2 :: 4.186 HA3 :: 3.906 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.109 Ave N Shift Values>> N :: 109.91(4.29) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> CA :: 60.342 CB :: 70.727 CG2 :: 21.570 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 :: 8.599 HA :: 4.610 HB :: 3.990 HG21 :: 1.163 HG22 :: 1.163 HG23 :: 1.163 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 :: 119.536 Ave N Shift Values>> N :: 115.7(5.05) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 63.323 CB :: 32.564 CG :: 27.606 CD :: 51.259 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 :: 4.442 HB2 :: 2.002 HB3 :: 1.458 HG2 :: 1.818 HG3 :: 1.818 HD2 :: 3.874 HD3 :: 3.743 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.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.27 M 0.07 I 0.04 HN Overlap>> 1.S74 1.S74 C Shift Assignments>> C :: 175.334 CA :: 60.426 CB :: 36.050 CG1 :: 21.325 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 :: 8.705 HA :: 4.412 HB :: 1.897 HG11 :: 0.869 HG12 :: 0.869 HG13 :: 0.869 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 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 :: 118.497 Ave N Shift Values>> N :: 121.02(4.96) 1.V10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 174.263 CA :: 64.864 CB :: 32.038 CG1 :: 23.400 CG2 :: 20.902 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 :: 8.599 HA :: 3.557 HB :: 1.400 HG11 :: 0.508 HG12 :: 0.508 HG13 :: 0.508 HG21 :: -0.129(S) HG22 :: -0.129(S) HG23 :: -0.129(S) 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 :: 125.676 Ave N Shift Values>> N :: 121.02(4.96) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.2 D 0.15 C 0.1 K 0.09 F 0.04 G 0.03 Y 0.03 N 0.01 C Shift Assignments>> C :: 174.329 CA :: 54.295 CB :: 42.986 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 :: 9.114 HA :: 4.616 HB2 :: 2.534 HB3 :: 2.067 HD21 :: 7.689 HD22 :: 6.640 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 :: 127.242 ND2 :: 109.438 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 E 0.25 M 0.18 I 0.01 C Shift Assignments>> C :: 173.118 CA :: 55.773 CB :: 32.517 CG :: 37.105 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 :: 7.317 HA :: 4.474 HB2 :: 2.073 HB3 :: 1.838 HG2 :: 2.285 HG3 :: 2.236 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 :: 115.203 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 174.062 CA :: 62.290 CB :: 33.570 CG1 :: 22.206 CG2 :: 20.121 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 :: 8.747 HA :: 4.635 HB :: 2.041 HG11 :: 0.766 HG12 :: 0.766 HG13 :: 0.766 HG21 :: 0.652 HG22 :: 0.652 HG23 :: 0.652 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 :: 124.717 Ave N Shift Values>> N :: 121.02(4.96) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.26 K 0.24 M 0.01 G 0.01 C Shift Assignments>> C :: 174.832 CA :: 54.402 CB :: 36.504 CG :: 25.052 CD :: 29.781 CE :: 41.979 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 :: 9.314 HA :: 4.747 HB2 :: 1.682 HB3 :: 1.513 HG2 :: 1.221 HG3 :: 1.019 HD2 :: 1.227 HD3 :: 1.474 HE2 :: 2.531 HE3 :: 2.390 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 :: 128.889 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V15 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 :: 176.687 CA :: 62.900 CB :: 31.615 CG1 :: 22.018 CG2 :: 21.815 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 :: 8.937 HA :: 4.401 HB :: 2.098 HG11 :: 1.106 HG12 :: 1.106 HG13 :: 1.106 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 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 :: 127.317 Ave N Shift Values>> N :: 121.02(4.96) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.28 G 0.06 K 0.04 A 0.04 C Shift Assignments>> C :: 176.708 CA :: 55.786 CB :: 43.012 CG :: 26.268 CD2 :: 22.535 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 :: 8.190 HA :: 4.434 HB2 :: 1.688 HB3 :: 1.358 HG :: 0.794 HD21 :: 0.774 HD22 :: 0.774 HD23 :: 0.774 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 :: 125.831 Ave N Shift Values>> N :: 121.98(4.07) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.12 C Shift Assignments>> C :: 173.834 CA :: 60.446 CB :: 70.108 CG2 :: 21.951 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 :: 7.295 HA :: 4.565 HB :: 4.286 HG21 :: 1.209 HG22 :: 1.209 HG23 :: 1.209 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 :: 111.012 Ave N Shift Values>> N :: 115.7(5.05) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.38 M 0.11 I 0.05 K 0.03 Q 0.01 C Shift Assignments>> C :: 177.087 CA :: 56.554 CB :: 30.767 CG :: 36.827 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 :: 8.673 HA :: 4.371 HB2 :: 2.190 HB3 :: 1.902 HG2 :: 2.344 HG3 :: 2.301 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 :: 123.002 Ave N Shift Values>> N :: 120.68(3.68) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I73 1.I73 C Shift Assignments>> C :: 174.831 CA :: 59.468 CB :: 64.108 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.448 HA :: 4.386 HB2 :: 3.937 HB3 :: 3.890 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 :: 116.807 Ave N Shift Values>> N :: 116.3(3.95) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.23 Y 0.09 D 0.07 E 0.06 F 0.05 M 0.03 L 0.01 C Shift Assignments>> C :: 175.461 CA :: 53.516 CB :: 37.555 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 :: 8.515 HA :: 4.560 HB2 :: 2.910 HB3 :: 2.910 HD21 :: 7.741 HD22 :: 6.971 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 :: 119.041 ND2 :: 113.954 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 K 0.12 G 0.09 C Shift Assignments>> C :: 176.141 CA :: 58.365 CB :: 31.030 CG :: 27.998 CD :: 43.568 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 :: 8.098 HA :: 4.221 HB2 :: 1.941 HB3 :: 1.846 HG2 :: 1.695 HG3 :: 1.622 HD2 :: 3.267 HD3 :: 3.267 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 :: 119.048 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.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 173.450 CA :: 61.066 CB :: 39.561 CG1 :: 27.785 CG2 :: 17.938 CD1 :: 13.063 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 :: 7.654 HA :: 4.219 HB :: 1.853 HG12 :: 1.188 HG13 :: 1.188 HG21 :: 0.820 HG22 :: 0.820 HG23 :: 0.820 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 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 :: 118.397 Ave N Shift Values>> N :: 121.6(4.72) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.166 CA :: 57.304 CB :: 64.399 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.671 HA :: 4.560 HB2 :: 4.242 HB3 :: 4.002 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 :: 120.465 Ave N Shift Values>> N :: 116.3(3.95) 1.H24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.16 C 0.16 V 0.15 W 0.14 P 0.09 E 0.07 R 0.07 H 0.04 Q 0.03 K 0.02 M 0.01 C Shift Assignments>> CA :: 61.171 CB :: 30.394 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 :: 9.101 HA :: 4.025 HB2 :: 2.983 HB3 :: 2.983 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 :: 121.399 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 HN Overlap>> 1.F65 1.F65 C Shift Assignments>> C :: 177.424 CA :: 65.387 CB :: 36.550 CG1 :: 30.656 CG2 :: 17.039 CD1 :: 13.897 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 :: 8.337 HA :: 3.608 HB :: 1.923 HG12 :: 1.453 HG13 :: 1.102 HG21 :: 0.736 HG22 :: 0.736 HG23 :: 0.736 HD11 :: 0.689 HD12 :: 0.689 HD13 :: 0.689 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 :: 119.073 Ave N Shift Values>> N :: 121.6(4.72) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 K 0.32 C 0.3 R 0.01 C Shift Assignments>> C :: 179.139 CA :: 57.264 CB :: 41.469 CG :: 27.695 CD1 :: 23.309 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 :: 7.847 HA :: 3.955 HB2 :: 2.026 HB3 :: 1.088 HG :: 1.677 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 HD21 :: 0.858 HD22 :: 0.858 HD23 :: 0.858 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 :: 119.539 Ave N Shift Values>> N :: 121.98(4.07) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.3 C 0.05 V 0.03 I 0.03 L 0.02 T 0.01 C Shift Assignments>> C :: 180.173 CA :: 55.715 CB :: 19.416 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.104 HA :: 3.725 HB1 :: 1.389 HB2 :: 1.389 HB3 :: 1.389 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.873 Ave N Shift Values>> N :: 123.23(3.7) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 HN Overlap>> 1.N125 1.E109 1.N125 1.E109 C Shift Assignments>> CA :: 66.582 CB :: 38.920 CG1 :: 31.105 CG2 :: 18.777 CD1 :: 14.066 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 :: 8.389 HA :: 3.476 HB :: 1.658 HG12 :: 1.598 HG13 :: 0.213 HG21 :: 0.656 HG22 :: 0.656 HG23 :: 0.656 HD11 :: 0.027 HD12 :: 0.027 HD13 :: 0.027 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 :: 121.126 Ave N Shift Values>> N :: 121.6(4.72) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 177.539 CA :: 66.640 CB :: 31.618 CG1 :: 24.436 CG2 :: 23.136 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 :: 9.064 HA :: 3.522 HB :: 2.147 HG11 :: 0.963 HG12 :: 0.963 HG13 :: 0.963 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 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 :: 118.096 Ave N Shift Values>> N :: 121.02(4.96) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.55 C 0.12 A 0.12 G 0.07 N 0.06 D 0.02 C Shift Assignments>> C :: 174.949 CA :: 48.721 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.870 HA2 :: 3.582 HA3 :: 3.384 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.553 Ave N Shift Values>> N :: 109.91(4.29) 1.T33 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 :: 176.646 CA :: 68.671 CB :: 68.431 CG2 :: 22.696 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 :: 7.452 HA :: 4.200 HB :: 3.689 HG1 :: 5.441 HG21 :: 1.042 HG22 :: 1.042 HG23 :: 1.042 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 :: 116.737 Ave N Shift Values>> N :: 115.7(5.05) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.41 C 0.04 I 0.01 L 0.01 V 0.01 C Shift Assignments>> CA :: 55.037 CB :: 19.370 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.348 HA :: 4.214 HB1 :: 1.410 HB2 :: 1.410 HB3 :: 1.410 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.894 Ave N Shift Values>> N :: 123.23(3.7) 1.E35 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.18 L 0.13 Q 0.13 K 0.12 C 0.11 H 0.09 W 0.08 E 0.06 I 0.04 C Shift Assignments>> C :: 178.646 CA :: 56.902 CB :: 27.458 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 :: 7.780 HA :: 4.287 HB2 :: 1.695 HB3 :: 1.695 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 :: 109.790(A) Ave N Shift Values>> N :: 120.68(3.68) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.708 CA :: 62.330 CB :: 60.938 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.693 HA :: 4.175 HB2 :: 3.981 HB3 :: 3.981 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 :: 117.138 Ave N Shift Values>> N :: 116.3(3.95) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.25 C 0.13 Y 0.06 F 0.06 L 0.06 C Shift Assignments>> C :: 174.054 CA :: 52.841 CB :: 39.458 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 :: 7.386 HA :: 4.677 HB2 :: 2.081 HB3 :: 1.753 HD21 :: 6.510 HD22 :: 6.940 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 :: 118.200 ND2 :: 111.090 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.591 CA :: 58.761 CB :: 65.132 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.649 HA :: 4.271 HB2 :: 4.014 HB3 :: 4.014 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 :: 113.839 Ave N Shift Values>> N :: 116.3(3.95) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.38 M 0.08 K 0.06 I 0.05 Q 0.01 C Shift Assignments>> C :: 173.804 CA :: 55.983 CB :: 30.183 CG :: 36.784 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 :: 8.991 HA :: 4.482 HB2 :: 2.295 HB3 :: 1.904 HG2 :: 2.227 HG3 :: 2.227 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 :: 126.870 Ave N Shift Values>> N :: 120.68(3.68) 1.H40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 C 0.2 M 0.18 K 0.17 E 0.07 W 0.04 R 0.03 H 0.03 V 0.02 Y 0.01 C Shift Assignments>> C :: 175.028 CA :: 56.648 CB :: 33.905 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 :: 8.455 HA :: 4.622 HB2 :: 3.396 HB3 :: 2.896 HD2 :: 7.229 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 :: 126.047 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> CA :: 65.955 CB :: 33.166 CG :: 28.414 CD :: 50.755 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 :: 4.309 HB2 :: 2.261 HB3 :: 1.632 HG2 :: 1.849 HG3 :: 1.775 HD2 :: 3.518 HD3 :: 2.238(S) 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.L42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.55 C 0.36 R 0.06 C Shift Assignments>> C :: 179.385 CA :: 58.667 CB :: 41.710 CG :: 27.009 CD1 :: 25.347 CD2 :: 23.678 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 :: 11.189(S) HA :: 3.828 HB2 :: 1.137 HB3 :: 0.732 HG :: 1.444 HD11 :: 0.106 HD12 :: 0.106 HD13 :: 0.106 HD21 :: 0.444 HD22 :: 0.444 HD23 :: 0.444 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 :: 119.828 Ave N Shift Values>> N :: 121.98(4.07) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.46 C 0.17 A 0.12 G 0.12 N 0.05 D 0.02 C Shift Assignments>> C :: 177.341 CA :: 48.528 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.471 HA2 :: 4.011 HA3 :: 3.797 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.579 Ave N Shift Values>> N :: 109.91(4.29) 1.T44 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 :: 177.381 CA :: 66.188 CB :: 68.884 CG2 :: 22.074 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 :: 8.616 HA :: 4.137 HB :: 4.179 HG21 :: 1.230 HG22 :: 1.230 HG23 :: 1.230 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 :: 119.279 Ave N Shift Values>> N :: 115.7(5.05) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.34 C 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 181.102 CA :: 55.430 CB :: 18.829 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.629 HA :: 4.212 HB1 :: 1.350 HB2 :: 1.350 HB3 :: 1.350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.823 Ave N Shift Values>> N :: 123.23(3.7) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> CA :: 66.335 CB :: 38.720 CG1 :: 31.120 CG2 :: 19.572 CD1 :: 13.766 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 :: 8.264 HA :: 3.568 HB :: 1.791 HG12 :: 1.889 HG13 :: 0.525 HG21 :: 0.744 HG22 :: 0.744 HG23 :: 0.744 HD11 :: 0.666 HD12 :: 0.666 HD13 :: 0.666 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 :: 119.463 Ave N Shift Values>> N :: 121.6(4.72) 1.T47 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.824 CA :: 69.300(A) CB :: 68.171 CG2 :: 21.927 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 :: 8.575 HA :: 3.515 HB :: 4.117 HG21 :: 1.093 HG22 :: 1.093 HG23 :: 1.093 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 :: 119.164 Ave N Shift Values>> N :: 115.7(5.05) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.24 P 0.09 R 0.09 V 0.06 Q 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 178.586 CA :: 60.601 CB :: 33.047 CG :: 25.487 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 :: 7.915 HA :: 3.885 HB2 :: 1.958 HB3 :: 1.958 HG2 :: 1.593 HG3 :: 1.438 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 :: 120.183 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 F 0.21 Y 0.18 C 0.16 C Shift Assignments>> C :: 177.083 CA :: 61.699 CB :: 39.642 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 :: 7.628 HA :: 4.236 HB2 :: 3.239 HB3 :: 3.133 HD1 :: 7.047 HD2 :: 7.047 HE1 :: 6.654 HE2 :: 6.654 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 :: 119.412 Ave N Shift Values>> N :: 120.79(4.69) 1.C50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 P 0.45 C 0.04 V 0.02 HN Overlap>> 1.I73 1.I73 C Shift Assignments>> C :: 176.462 CA :: 65.428 CB :: 27.713 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.390 HA :: 3.792 HB2 :: 2.996 HB3 :: 2.514 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 :: 116.998 Ave N Shift Values>> N :: 119.95(4.79) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 Q 0.14 K 0.12 M 0.11 E 0.08 I 0.03 R 0.02 HN Overlap>> 1.N88 1.N88 C Shift Assignments>> C :: 178.714 CA :: 61.133 CB :: 33.211 CD :: 30.635 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 :: 8.268 HA :: 3.804 HB2 :: 2.165 HB3 :: 2.165 HD2 :: 1.623 HD3 :: 1.623 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 :: 117.760 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.22 K 0.21 E 0.17 I 0.04 R 0.03 M 0.03 C Shift Assignments>> C :: 179.547 CA :: 58.761 CB :: 29.020 CG :: 34.362 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 :: 7.669 HA :: 4.095 HB2 :: 2.224 HB3 :: 2.120 HG2 :: 2.379 HG3 :: 2.282 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 :: 117.674 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 E 0.37 I 0.1 M 0.09 K 0.02 Q 0.01 C Shift Assignments>> C :: 178.477 CA :: 58.844 CB :: 31.089 CG :: 36.533 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 :: 8.179 HA :: 3.829 HB2 :: 1.847 HB3 :: 1.541 HG2 :: 1.662 HG3 :: 1.599(S) 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 :: 118.521 Ave N Shift Values>> N :: 120.68(3.68) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 R 0.3 L 0.29 K 0.07 G 0.01 C Shift Assignments>> C :: 175.846 CA :: 55.389 CB :: 42.197 CG :: 28.226 CD1 :: 25.370 CD2 :: 26.950 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 :: 7.844 HA :: 4.176 HB2 :: 1.384 HB3 :: 1.384 HG :: 1.635 HD11 :: 0.539 HD12 :: 0.539 HD13 :: 0.539 HD21 :: 0.704 HD22 :: 0.704 HD23 :: 0.704 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 :: 115.962 Ave N Shift Values>> N :: 121.98(4.07) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.18 C 0.15 Y 0.12 F 0.12 L 0.1 K 0.02 I 0.01 C Shift Assignments>> C :: 173.712 CA :: 54.768 CB :: 39.834 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 :: 7.663 HA :: 4.246 HB2 :: 3.132 HB3 :: 2.284 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 :: 120.241 Ave N Shift Values>> N :: 120.73(4.2) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 171.948 CA :: 60.025 CB :: 70.718 CG2 :: 20.551 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 :: 7.893 HA :: 4.790 HB :: 3.872 HG21 :: 1.030 HG22 :: 1.030 HG23 :: 1.030 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 :: 111.043 Ave N Shift Values>> N :: 115.7(5.05) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 M 0.13 K 0.04 I 0.03 Q 0.02 C Shift Assignments>> C :: 176.493 CA :: 56.115 CB :: 30.692 CG :: 36.535 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 :: 8.411 HA :: 4.386 HB2 :: 1.905 HB3 :: 1.905 HG2 :: 2.231 HG3 :: 2.314 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 :: 123.247 Ave N Shift Values>> N :: 120.68(3.68) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.454 CA :: 61.464 CB :: 71.338 CG2 :: 22.126 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 :: 7.926 HA :: 4.432 HB :: 4.027 HG21 :: 1.243 HG22 :: 1.243 HG23 :: 1.243 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 :: 113.945 Ave N Shift Values>> N :: 115.7(5.05) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.25 R 0.13 G 0.02 A 0.01 K 0.01 C Shift Assignments>> C :: 175.959 CA :: 53.744 CB :: 42.272 CG :: 27.302 CD1 :: 24.042 CD2 :: 26.400 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 :: 8.622 HA :: 4.707 HB2 :: 1.741 HB3 :: 1.575 HG :: 1.327 HD11 :: 0.678 HD12 :: 0.678 HD13 :: 0.678 HD21 :: 0.820 HD22 :: 0.820 HD23 :: 0.820 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 :: 125.355 Ave N Shift Values>> N :: 121.98(4.07) 1.G60 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>> C :: 172.931 CA :: 45.563 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.725 HA2 :: 4.598 HA3 :: 3.488 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.489 Ave N Shift Values>> N :: 109.91(4.29) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.S116 1.S116 C Shift Assignments>> CA :: 62.617 CB :: 70.920 CG2 :: 22.309 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 :: 8.306 HA :: 4.510 HB :: 3.761 HG21 :: 1.117 HG22 :: 1.117 HG23 :: 1.117 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 :: 117.538 Ave N Shift Values>> N :: 115.7(5.05) 1.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 R 0.12 W 0.11 C 0.11 H 0.11 E 0.1 I 0.05 L 0.04 M 0.01 C Shift Assignments>> C :: 173.512 CA :: 57.485 CB :: 28.407 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.018 HA :: 5.008 HB2 :: 2.803 HB3 :: 2.694 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 :: 127.959 Ave N Shift Values>> N :: 119.95(4.79) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.35 G 0.01 C Shift Assignments>> C :: 174.329 CA :: 60.760 CB :: 41.953 CG1 :: 27.732 CG2 :: 18.069 CD1 :: 14.133 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 :: 9.408 HA :: 4.419 HB :: 1.655 HG12 :: 1.298 HG13 :: 0.963 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 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 :: 128.485 Ave N Shift Values>> N :: 121.6(4.72) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 N 0.2 C 0.17 Y 0.15 F 0.13 L 0.07 I 0.01 E 0.01 C Shift Assignments>> C :: 174.401 CA :: 54.932 CB :: 39.361 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 :: 8.847 HA :: 4.332 HB2 :: 2.978 HB3 :: 2.656 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 :: 121.887 Ave N Shift Values>> N :: 120.73(4.2) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.25 I 0.24 C 0.19 E 0.01 L 0.01 D 0.01 HN Overlap>> 1.I27 1.I27 C Shift Assignments>> CA :: 59.742 CB :: 39.266 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 :: 8.353 HA :: 4.557 HB2 :: 3.174 HB3 :: 3.033 HD1 :: 7.234 HD2 :: 7.234 HE1 :: 7.060 HE2 :: 7.060 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 :: 119.126 Ave N Shift Values>> N :: 120.69(4.18) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.35 Q 0.13 E 0.07 K 0.01 C Shift Assignments>> C :: 172.951 CA :: 54.928 CB :: 32.604 CG :: 33.876 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 :: 8.729 HA :: 4.489 HB2 :: 2.187 HB3 :: 1.936 HG2 :: 2.160 HG3 :: 2.209 HE21 :: 7.382 HE22 :: 6.725 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 :: 129.288 NE2 :: 111.671 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.43 C 0.41 M 0.12 K 0.01 C Shift Assignments>> C :: 175.450 CA :: 59.937 CB :: 33.772 CG1 :: 21.415 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 :: 8.253 HA :: 4.339 HB :: 1.809 HG11 :: 0.777 HG12 :: 0.777 HG13 :: 0.777 HG21 :: 0.777 HG22 :: 0.777 HG23 :: 0.777 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 :: 121.605 Ave N Shift Values>> N :: 121.02(4.96) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.35 M 0.06 K 0.01 C Shift Assignments>> C :: 174.182 CA :: 61.032 CB :: 33.806 CG1 :: 21.613 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 :: 8.482 HA :: 3.897 HB :: 2.107 HG11 :: 0.579 HG12 :: 0.579 HG13 :: 0.579 HG21 :: 0.579 HG22 :: 0.579 HG23 :: 0.579 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 :: 129.378 Ave N Shift Values>> N :: 121.02(4.96) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.6 P 0.36 S 0.03 C Shift Assignments>> CA :: 64.245 CB :: 32.456 CG :: 27.931 CD :: 52.574 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 :: 4.265 HB2 :: 1.898 HB3 :: 2.410 HG2 :: 2.115 HG3 :: 1.935 HD2 :: 3.922 HD3 :: 3.696 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.G70 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 :: 174.197 CA :: 46.006 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.456 HA2 :: 4.307 HA3 :: 3.916 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.090 Ave N Shift Values>> N :: 109.91(4.29) 1.C71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 V 0.18 I 0.14 E 0.12 Y 0.06 K 0.04 M 0.03 Q 0.02 F 0.02 W 0.01 P 0.01 HN Overlap>> 1.E175 1.E175 1.H85 1.H85 C Shift Assignments>> C :: 171.425 CA :: 61.001 CB :: 35.266 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.680 HA :: 4.876 HB2 :: 2.284 HB3 :: 2.384 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 :: 117.515 Ave N Shift Values>> N :: 119.95(4.79) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.26 G 0.22 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 170.234 CA :: 43.958 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.026 HA2 :: 3.970 HA3 :: 3.834 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.934 Ave N Shift Values>> N :: 109.91(4.29) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 G 0.15 I 0.03 A 0.02 HN Overlap>> 1.S19 1.S19 1.C50 1.C50 C Shift Assignments>> CA :: 58.313 CB :: 43.113 CG1 :: 27.310 CG2 :: 21.130 CD1 :: 15.269 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 :: 8.413 HA :: 5.103 HB :: 1.481 HG12 :: 0.786 HG13 :: 0.786 HG21 :: 0.520 HG22 :: 0.520 HG23 :: 0.520 HD11 :: 0.740 HD12 :: 0.740 HD13 :: 0.740 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 :: 116.903 Ave N Shift Values>> N :: 121.6(4.72) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.6 S 0.39 HN Overlap>> 1.V9 1.V9 C Shift Assignments>> CA :: 56.613 CB :: 67.546 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.762 HA :: 5.577 HB2 :: 4.120 HB3 :: 3.873 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 :: 118.449 Ave N Shift Values>> N :: 116.3(3.95) 1.C75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 R 0.14 E 0.13 C 0.13 H 0.12 Q 0.09 M 0.08 K 0.08 V 0.02 I 0.02 C Shift Assignments>> C :: 172.713 CA :: 57.711 CB :: 30.829 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.781 HA :: 5.011 HB2 :: 3.638 HB3 :: 3.247 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 :: 114.283 Ave N Shift Values>> N :: 119.95(4.79) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.33 K 0.27 M 0.02 G 0.01 C Shift Assignments>> C :: 175.710 CA :: 55.599 CB :: 34.613 CG :: 25.975 CD :: 30.177 CE :: 42.290 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 :: 9.090 HA :: 5.752 HB2 :: 1.595 HB3 :: 1.554 HG2 :: 1.589 HG3 :: 1.401 HD2 :: 1.709 HD3 :: 1.593 HE2 :: 2.945 HE3 :: 2.882 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 :: 118.217 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.13 I 0.11 M 0.04 K 0.04 C Shift Assignments>> C :: 174.581 CA :: 59.934 CB :: 36.365 CG1 :: 22.837 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 :: 9.145 HA :: 5.453 HB :: 2.054 HG11 :: 1.044 HG12 :: 1.044 HG13 :: 1.044 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 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 :: 116.705 Ave N Shift Values>> N :: 121.02(4.96) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.21 A 0.01 C Shift Assignments>> C :: 172.704 CA :: 60.010 CB :: 70.908 CG2 :: 18.909 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 :: 8.890 HA :: 5.080 HB :: 4.136 HG21 :: 1.087 HG22 :: 1.087 HG23 :: 1.087 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 :: 117.398 Ave N Shift Values>> N :: 115.7(5.05) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 N 0.2 Y 0.17 F 0.12 D 0.1 E 0.07 L 0.02 I 0.02 M 0.01 C Shift Assignments>> C :: 175.080 CA :: 55.291 CB :: 38.188 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 :: 8.780 HA :: 4.823 HB2 :: 3.287 HB3 :: 2.833 HD21 :: 6.854 HD22 :: 7.456 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 :: 119.650 ND2 :: 111.704 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 177.459 CA :: 60.542 CB :: 39.311 CG1 :: 26.985 CG2 :: 19.503 CD1 :: 14.520 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 :: 8.521 HA :: 4.378 HB :: 2.152 HG12 :: 1.305 HG13 :: 1.199 HG21 :: 0.679 HG22 :: 0.679 HG23 :: 0.679 HD11 :: 0.567 HD12 :: 0.567 HD13 :: 0.567 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 :: 108.484 Ave N Shift Values>> N :: 121.6(4.72) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.17 W 0.16 C 0.15 E 0.1 R 0.08 H 0.06 V 0.06 K 0.06 Q 0.06 P 0.02 M 0.01 HN Overlap>> 1.D93 1.D93 1.E109 1.E109 C Shift Assignments>> CA :: 60.429 CB :: 29.665 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 :: 8.265 HA :: 3.843 HB2 :: 2.013 HB3 :: 2.013 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 :: 121.123 Ave N Shift Values>> N :: 120.68(3.68) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 C 0.18 L 0.03 C Shift Assignments>> C :: 175.464 CA :: 47.036 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.661 HA2 :: 3.843 HA3 :: 3.773 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.801 Ave N Shift Values>> N :: 109.91(4.29) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 K 0.32 C 0.22 R 0.04 G 0.01 C Shift Assignments>> C :: 177.535 CA :: 56.099 CB :: 42.357 CG :: 27.492 CD1 :: 24.194 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 :: 7.453 HA :: 4.366 HB2 :: 1.894 HB3 :: 1.508 HG :: 1.737 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 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 :: 118.561 Ave N Shift Values>> N :: 121.98(4.07) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.28 K 0.13 A 0.04 G 0.01 C Shift Assignments>> C :: 176.765 CA :: 55.410 CB :: 42.112 CG :: 26.614 CD1 :: 22.723 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 :: 7.292 HA :: 4.232 HB2 :: 1.663 HB3 :: 1.373 HG :: 1.738 HD11 :: 0.579 HD12 :: 0.579 HD13 :: 0.579 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 :: 115.987 Ave N Shift Values>> N :: 121.98(4.07) 1.H85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.14 C 0.13 Q 0.13 W 0.12 E 0.11 M 0.08 K 0.08 HN Overlap>> 1.C71 1.C71 C Shift Assignments>> C :: 174.831 CA :: 55.089 CB :: 30.251 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 :: 7.727 HA :: 4.660 HB2 :: 3.205 HB3 :: 3.026 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 :: 117.521 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.36 R 0.22 M 0.02 G 0.01 C Shift Assignments>> C :: 177.280 CA :: 57.717 CB :: 33.163 CG :: 25.041 CD :: 29.435 CE :: 42.438 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 :: 8.071 HA :: 4.222 HB2 :: 1.747 HB3 :: 1.650 HG2 :: 1.309 HG3 :: 1.309 HD2 :: 1.625 HD3 :: 1.625 HE2 :: 2.973 HE3 :: 2.973 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 :: 121.035 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N87 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.18 C 0.16 Y 0.09 F 0.07 L 0.04 E 0.01 HN Overlap>> 1.K51 1.S124 1.K51 1.S124 C Shift Assignments>> C :: 174.957 CA :: 53.599 CB :: 38.775 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 :: 8.227 HA :: 4.506 HB2 :: 2.535 HB3 :: 2.390 HD21 :: 7.236 HD22 :: 6.877 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 :: 117.776 ND2 :: 113.145 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.14 R 0.13 H 0.12 C 0.12 Q 0.12 K 0.09 M 0.04 I 0.03 V 0.01 HN Overlap>> 1.F156 1.I91 1.F156 1.I91 C Shift Assignments>> C :: 175.834 CA :: 57.735 CB :: 29.928 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 :: 7.993 HA :: 4.668 HB2 :: 3.243 HB3 :: 3.243 HD1 :: 7.163 HE1 :: 10.095 HE3 :: 7.090 HZ2 :: 7.423 HZ3 :: 7.165 HH2 :: 7.536 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 :: 120.675 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.21 C 0.15 Y 0.09 F 0.08 L 0.05 E 0.01 HN Overlap>> 1.N108 1.N108 C Shift Assignments>> C :: 174.958 CA :: 53.650 CB :: 39.057 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 :: 8.280 HA :: 4.643 HB2 :: 2.688 HB3 :: 2.573 HD21 :: 7.506 HD22 :: 6.830 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 :: 120.166 ND2 :: 112.462 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 HN Overlap>> 1.F156 1.F156 1.W89 1.W89 C Shift Assignments>> C :: 176.332 CA :: 62.047 CB :: 38.680 CG1 :: 28.151 CG2 :: 18.004 CD1 :: 13.415 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 :: 7.942 HA :: 4.088 HB :: 1.905 HG12 :: 1.484 HG13 :: 1.175 HG21 :: 0.889 HG22 :: 0.889 HG23 :: 0.889 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 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 :: 120.752 Ave N Shift Values>> N :: 121.6(4.72) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 K 0.1 I 0.08 Q 0.05 M 0.05 C Shift Assignments>> C :: 176.333 CA :: 57.399 CB :: 29.599 CG :: 36.218 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 :: 8.396 HA :: 4.257 HB2 :: 2.119 HB3 :: 2.062 HG2 :: 2.299 HG3 :: 2.231 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 :: 123.761 Ave N Shift Values>> N :: 120.68(3.68) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.21 K 0.16 C 0.1 F 0.09 Y 0.07 R 0.06 N 0.05 HN Overlap>> 1.E81 1.E81 C Shift Assignments>> C :: 176.338 CA :: 54.939 CB :: 41.487 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 :: 8.206 HA :: 4.538 HB2 :: 2.720 HB3 :: 2.622 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 :: 121.132 Ave N Shift Values>> N :: 120.73(4.2) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.19 C 0.16 Y 0.09 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 175.332 CA :: 53.470 CB :: 38.858 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 :: 8.339 HA :: 4.665 HB2 :: 2.778 HB3 :: 2.684 HD21 :: 6.844 HD22 :: 7.737 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 :: 119.303 ND2 :: 112.241 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.19 C 0.16 Y 0.1 F 0.08 L 0.04 E 0.01 C Shift Assignments>> C :: 175.629 CA :: 53.796 CB :: 38.867 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 :: 8.386 HA :: 4.608 HB2 :: 2.834 HB3 :: 2.772 HD21 :: 6.965 HD22 :: 7.676 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 :: 118.626 ND2 :: 113.263 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.36 R 0.22 M 0.01 G 0.01 C Shift Assignments>> C :: 176.586 CA :: 57.314 CB :: 33.029 CG :: 25.292 CD :: 28.879 CE :: 42.518 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 :: 8.253 HA :: 4.110 HB2 :: 1.811 HB3 :: 1.763 HG2 :: 1.438 HG3 :: 1.376 HD2 :: 1.649 HD3 :: 1.649 HE2 :: 2.913 HE3 :: 2.913 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 :: 123.986 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.2 Y 0.13 D 0.13 F 0.1 E 0.04 L 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 175.212 CA :: 54.441 CB :: 38.307 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 :: 8.268 HA :: 4.250 HB2 :: 2.756 HB3 :: 2.640 HD21 :: 6.869 HD22 :: 7.622 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 :: 118.972 ND2 :: 112.889 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.38 C 0.03 I 0.01 HN Overlap>> 1.D120 1.D120 C Shift Assignments>> C :: 177.845 CA :: 54.179 CB :: 18.928 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.244 HA :: 4.223 HB1 :: 1.409 HB2 :: 1.409 HB3 :: 1.409 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.321 Ave N Shift Values>> N :: 123.23(3.7) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.461 CA :: 59.422 CB :: 63.894 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.207 HA :: 4.418 HB2 :: 3.838 HB3 :: 3.838 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 :: 114.147 Ave N Shift Values>> N :: 116.3(3.95) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.29 R 0.04 A 0.01 G 0.01 C Shift Assignments>> C :: 177.203 CA :: 55.136 CB :: 42.206 CG :: 27.350 CD1 :: 24.161 CD2 :: 23.466 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 :: 8.064 HA :: 4.328 HB2 :: 1.666 HB3 :: 1.600 HG :: 1.610 HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 HD21 :: 0.863 HD22 :: 0.863 HD23 :: 0.863 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 :: 123.482 Ave N Shift Values>> N :: 121.98(4.07) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.22 M 0.02 C Shift Assignments>> C :: 175.833 CA :: 62.670 CB :: 33.188 CG2 :: 21.288 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 :: 7.948 HA :: 4.088 HB :: 2.041 HG11 :: 0.934 HG12 :: 0.934 HG13 :: 0.934 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 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 :: 120.507 Ave N Shift Values>> N :: 121.02(4.96) 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 0.17 M 0.15 E 0.14 R 0.01 C Shift Assignments>> C :: 175.707 CA :: 55.210 CB :: 30.140 CG :: 34.184 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 :: 8.381 HA :: 4.384 HB2 :: 2.075 HB3 :: 1.972 HG2 :: 2.331 HG3 :: 2.331 HE21 :: 6.987 HE22 :: 7.661 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 :: 124.571 NE2 :: 111.424 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 175.833 CA :: 61.800 CB :: 39.002 CG1 :: 27.846 CG2 :: 17.601 CD1 :: 12.939 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 :: 8.240 HA :: 4.153 HB :: 1.857 HG12 :: 1.482 HG13 :: 1.179 HG21 :: 0.819 HG22 :: 0.819 HG23 :: 0.819 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 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 :: 123.032 Ave N Shift Values>> N :: 121.6(4.72) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.21 K 0.14 C 0.1 N 0.07 F 0.06 R 0.05 Y 0.05 C Shift Assignments>> C :: 175.964 CA :: 54.022 CB :: 41.575 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 :: 8.416 HA :: 4.635 HB2 :: 2.737 HB3 :: 2.630 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 :: 124.277 Ave N Shift Values>> N :: 120.73(4.2) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.26 C 0.02 C Shift Assignments>> C :: 177.964 CA :: 53.193 CB :: 19.136 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.323 HA :: 4.335 HB1 :: 1.413 HB2 :: 1.413 HB3 :: 1.413 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.220 Ave N Shift Values>> N :: 123.23(3.7) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.646 CA :: 58.799 CB :: 64.104 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.363 HA :: 4.486 HB2 :: 3.938 HB3 :: 3.889 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 :: 114.775 Ave N Shift Values>> N :: 116.3(3.95) 1.N108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.25 C 0.13 Y 0.06 F 0.06 L 0.05 HN Overlap>> 1.N90 1.N90 C Shift Assignments>> C :: 175.325 CA :: 52.930 CB :: 39.408 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 :: 8.280 HA :: 4.659 HB2 :: 2.838 HB3 :: 2.777 HD21 :: 7.523 HD22 :: 6.834 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 :: 120.134 ND2 :: 112.800 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 K 0.09 I 0.07 M 0.05 Q 0.03 HN Overlap>> 1.N125 1.E81 1.N125 1.E81 1.I30 1.I30 C Shift Assignments>> C :: 176.710 CA :: 56.932 CB :: 29.630 CG :: 36.431 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 :: 8.323 HA :: 4.258 HB2 :: 2.168 HB3 :: 1.959 HG2 :: 2.283 HG3 :: 2.244 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 :: 121.101 Ave N Shift Values>> N :: 120.68(3.68) 1.Q110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.25 K 0.24 E 0.12 R 0.05 M 0.04 C Shift Assignments>> C :: 176.206 CA :: 55.944 CB :: 28.769 CG :: 34.048 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 :: 8.382 HA :: 4.366 HB2 :: 1.982 HB3 :: 2.118 HG2 :: 2.381 HG3 :: 2.381 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 :: 120.493 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.832 CA :: 57.712 CB :: 63.608 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.309 HA :: 4.268 HB2 :: 3.891 HB3 :: 3.836 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 :: 116.583 Ave N Shift Values>> N :: 116.3(3.95) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.M157 1.M157 C Shift Assignments>> C :: 174.974 CA :: 59.363 CB :: 63.557 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.407 HA :: 4.493 HB2 :: 3.935 HB3 :: 3.886 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 :: 117.897 Ave N Shift Values>> N :: 116.3(3.95) 1.T113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.879 CA :: 62.465 CB :: 70.405 CG2 :: 22.104 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 :: 8.191 HA :: 4.301 HB :: 4.303 HG21 :: 1.163 HG22 :: 1.163 HG23 :: 1.163 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 :: 115.404 Ave N Shift Values>> N :: 115.7(5.05) 1.S114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T61 1.T61 C Shift Assignments>> C :: 174.437 CA :: 59.124 CB :: 63.866 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.298 HA :: 4.495 HB2 :: 3.785 HB3 :: 3.785 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 :: 117.474 Ave N Shift Values>> N :: 116.3(3.95) 1.M117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.37 Q 0.14 E 0.05 K 0.02 C Shift Assignments>> C :: 176.093 CA :: 56.407 CB :: 33.077 CG :: 32.458 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 :: 8.194 HA :: 4.446 HB2 :: 2.081 HB3 :: 2.020 HG2 :: 2.577 HG3 :: 2.510 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 :: 121.754 Ave N Shift Values>> N :: 120.1(3.88) 1.I118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 176.333 CA :: 62.213 CB :: 38.774 CG1 :: 28.051 CG2 :: 17.897 CD1 :: 13.265 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 :: 8.046 HA :: 4.116 HB :: 1.852 HG12 :: 1.504 HG13 :: 1.176 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 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 :: 122.312 Ave N Shift Values>> N :: 121.6(4.72) 1.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 176.083 CA :: 61.836 CB :: 39.175 CG1 :: 28.093 CG2 :: 18.096 CD1 :: 13.403 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 :: 8.153 HA :: 4.144 HB :: 1.851 HG12 :: 1.467 HG13 :: 1.178 HG21 :: 0.894 HG22 :: 0.894 HG23 :: 0.894 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 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 :: 125.128 Ave N Shift Values>> N :: 121.6(4.72) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 D 0.21 K 0.17 C 0.1 F 0.08 R 0.07 Y 0.06 N 0.04 HN Overlap>> 1.A99 1.A99 C Shift Assignments>> C :: 176.465 CA :: 54.900 CB :: 41.669 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 :: 8.303 HA :: 4.561 HB2 :: 2.714 HB3 :: 2.625 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 :: 124.331 Ave N Shift Values>> N :: 120.73(4.2) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.22 C 0.03 L 0.01 C Shift Assignments>> C :: 178.222 CA :: 52.898 CB :: 19.623 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.241 HA :: 4.292 HB1 :: 1.411 HB2 :: 1.411 HB3 :: 1.411 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.656 Ave N Shift Values>> N :: 123.23(3.7) 1.Q122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.22 E 0.16 M 0.04 R 0.03 I 0.01 HN Overlap>> 1.M157 1.S124 1.M157 1.S124 C Shift Assignments>> C :: 177.213 CA :: 57.388 CB :: 29.115 CG :: 34.200 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 :: 8.282 HA :: 4.229 HB2 :: 2.092 HB3 :: 2.122 HG2 :: 2.416 HG3 :: 2.357 HE21 :: 6.831 HE22 :: 7.558 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 :: 117.957 NE2 :: 112.570 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 174.981 CA :: 62.385 CB :: 37.987 CG1 :: 27.672 CG2 :: 17.624 CD1 :: 12.973 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 :: 8.000 HA :: 4.055 HB :: 1.903 HG12 :: 1.479 HG13 :: 1.186 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 HD11 :: 0.851 HD12 :: 0.851 HD13 :: 0.851 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 :: 121.175 Ave N Shift Values>> N :: 121.6(4.72) 1.S124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N88 1.Q122 1.N88 1.Q122 1.N154 1.N154 C Shift Assignments>> C :: 176.934 CA :: 58.993 CB :: 63.465 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.249 HA :: 4.446 HB2 :: 3.888 HB3 :: 3.888 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 :: 117.881 Ave N Shift Values>> N :: 116.3(3.95) 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 C 0.2 D 0.13 Y 0.11 F 0.08 E 0.03 L 0.02 M 0.01 HN Overlap>> 1.E109 1.D155 1.I30 1.E109 1.D155 1.I30 C Shift Assignments>> C :: 176.208 CA :: 53.975 CB :: 38.230 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 :: 8.409 HA :: 4.663 HB2 :: 2.834 HB3 :: 2.739 HD21 :: 6.933 HD22 :: 7.690 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 :: 121.113 ND2 :: 112.158 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.35 C 0.02 C Shift Assignments>> C :: 179.221 CA :: 53.566 CB :: 18.172 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.102 HA :: 4.223 HB1 :: 1.435 HB2 :: 1.435 HB3 :: 1.435 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.638 Ave N Shift Values>> N :: 123.23(3.7) 1.L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.32 R 0.18 G 0.02 HN Overlap>> 1.N138 1.N138 C Shift Assignments>> C :: 178.962 CA :: 56.694 CB :: 42.487 CG :: 27.742 CD1 :: 23.853 CD2 :: 25.364 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 :: 8.104 HA :: 4.288 HB2 :: 1.734 HB3 :: 1.580 HG :: 1.614 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.927 HD22 :: 0.927 HD23 :: 0.927 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 :: 119.539 Ave N Shift Values>> N :: 121.98(4.07) 1.N128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 C 0.18 D 0.17 Y 0.14 F 0.12 L 0.05 E 0.02 I 0.01 C Shift Assignments>> C :: 175.206 CA :: 54.752 CB :: 38.893 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 :: 8.249 HA :: 4.737 HB2 :: 2.874 HB3 :: 2.753 HD21 :: 7.550 HD22 :: 7.094 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 :: 118.853 ND2 :: 113.357 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 L 0.01 C Shift Assignments>> C :: 177.332 CA :: 52.554 CB :: 19.507 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.756 HA :: 4.408 HB1 :: 1.466 HB2 :: 1.466 HB3 :: 1.466 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.000 Ave N Shift Values>> N :: 123.23(3.7) 1.Q130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 K 0.24 E 0.1 R 0.06 M 0.06 C Shift Assignments>> C :: 175.832 CA :: 57.012 CB :: 29.177 CG :: 33.581 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 :: 7.811 HA :: 3.982 HB2 :: 2.107 HB3 :: 1.720 HG2 :: 1.792 HG3 :: 2.106 HE21 :: 6.638 HE22 :: 7.562 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 :: 121.210 NE2 :: 112.129 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 C 0.28 Q 0.2 E 0.11 K 0.07 C Shift Assignments>> C :: 174.953 CA :: 54.080 CB :: 31.156 CG :: 34.238 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 :: 8.635 HA :: 5.184 HB2 :: 1.892 HB3 :: 1.769 HG2 :: 2.390 HG3 :: 2.000 HE21 :: 7.550 HE22 :: 6.693 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 :: 125.189 NE2 :: 109.988 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.17 C 0.14 K 0.14 L 0.13 D 0.1 I 0.04 R 0.02 N 0.01 C Shift Assignments>> C :: 175.336 CA :: 57.280 CB :: 40.820 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 :: 9.232 HA :: 5.003 HB2 :: 2.738 HB3 :: 2.615 HD1 :: 7.025 HD2 :: 7.025 HE1 :: 6.713 HE2 :: 6.713 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 :: 123.391 Ave N Shift Values>> N :: 120.79(4.69) 1.K133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.42 M 0.02 C Shift Assignments>> C :: 176.093 CA :: 58.143 CB :: 33.638 CG :: 25.984 CD :: 29.943 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 :: 9.351 HA :: 5.022 HB2 :: 2.009 HB3 :: 1.869 HG2 :: 1.542 HG3 :: 1.310 HD2 :: 1.682 HD3 :: 1.682 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 :: 126.160 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.43 I 0.01 HN Overlap>> 1.M142 1.M142 C Shift Assignments>> C :: 174.448 CA :: 62.122 CB :: 35.048 CG1 :: 23.416 CG2 :: 21.611 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 :: 9.150 HA :: 5.026 HB :: 2.138 HG11 :: 0.828 HG12 :: 0.828 HG13 :: 0.828 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 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 :: 127.412 Ave N Shift Values>> N :: 121.02(4.96) 1.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 G 0.33 L 0.16 A 0.04 C Shift Assignments>> C :: 176.390 CA :: 53.901 CB :: 46.893 CG :: 27.578 CD1 :: 23.619 CD2 :: 25.884 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 :: 8.736 HA :: 5.268 HB2 :: 1.529 HB3 :: 1.002 HG :: 1.455 HD11 :: 0.636 HD12 :: 0.636 HD13 :: 0.636 HD21 :: 0.404 HD22 :: 0.404 HD23 :: 0.404 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 :: 125.911 Ave N Shift Values>> N :: 121.98(4.07) 1.I136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.48 G 0.01 HN Overlap>> 1.V148 1.V148 C Shift Assignments>> CA :: 60.304 CB :: 41.764 CG1 :: 28.378 CG2 :: 18.424 CD1 :: 15.734 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 :: 7.947 HA :: 5.523 HB :: 1.522 HG12 :: 1.732 HG13 :: 1.095 HG21 :: 0.927 HG22 :: 0.927 HG23 :: 0.927 HD11 :: 0.900 HD12 :: 0.900 HD13 :: 0.900 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 :: 119.037 Ave N Shift Values>> N :: 121.6(4.72) 1.G137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 C 0.21 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 171.246 CA :: 47.275 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.972 HA2 :: 5.011 HA3 :: 4.483 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.623 Ave N Shift Values>> N :: 109.91(4.29) 1.N138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.26 C 0.13 L 0.06 Y 0.04 F 0.04 HN Overlap>> 1.L127 1.L127 C Shift Assignments>> C :: 174.833 CA :: 52.106 CB :: 39.668 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 :: 8.079 HA :: 4.931 HB2 :: 3.685 HB3 :: 3.443 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 :: 119.625 ND2 :: 109.318 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.16 E 0.11 R 0.11 V 0.1 I 0.09 H 0.07 Q 0.05 K 0.04 M 0.03 P 0.02 C Shift Assignments>> C :: 176.909 CA :: 60.066 CB :: 30.662 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 :: 8.486 HA :: 3.984 HB2 :: 1.904 HB3 :: 1.904 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 :: 115.843 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.E140 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 K 0.16 M 0.14 R 0.08 Q 0.05 P 0.01 E 0.01 C Shift Assignments>> C :: 176.785 CA :: 60.727 CB :: 30.482 CG :: 31.686 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 :: 8.532 HA :: 3.984 HB2 :: 2.938(S) HB3 :: 2.829(S) HG2 :: 3.200(S) HG3 :: 3.079(S) 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 :: 115.311 Ave N Shift Values>> N :: 120.68(3.68) 1.W141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.15 I 0.15 V 0.12 E 0.09 R 0.08 H 0.05 P 0.05 Q 0.04 K 0.03 M 0.02 C Shift Assignments>> C :: 178.182 CA :: 60.742 CB :: 30.287 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 :: 7.834 HA :: 3.906 HB2 :: 2.916 HB3 :: 2.916 HD1 :: 6.930 HE3 :: 6.744 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 :: 119.783 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.M142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.24 V 0.21 K 0.01 A 0.01 HN Overlap>> 1.V134 1.V134 C Shift Assignments>> CA :: 58.218 CB :: 34.478 CE :: 21.144 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 :: 9.222 HA :: 3.961 HB2 :: 2.339 HB3 :: 2.339 HE1 :: 1.767 HE2 :: 1.767 HE3 :: 1.767 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 :: 127.487 Ave N Shift Values>> N :: 120.1(3.88) 1.I143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> CA :: 65.009 CB :: 38.382 CG1 :: 29.374 CD1 :: 17.377 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 :: 8.402 HA :: 3.941 HB :: 1.904 HG12 :: 1.230 HG13 :: 1.230 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 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 :: 111.737 Ave N Shift Values>> N :: 121.6(4.72) 1.R144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.3 G 0.29 K 0.01 C Shift Assignments>> C :: 177.217 CA :: 59.275 CB :: 30.847 CG :: 27.716 CD :: 44.539 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 :: 8.933 HA :: 4.094 HB2 :: 1.961 HB3 :: 1.901 HG2 :: 1.965 HG3 :: 1.829 HD2 :: 3.368 HD3 :: 3.309 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 :: 122.401 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.N145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 N 0.18 C 0.16 Y 0.14 F 0.13 L 0.09 K 0.01 I 0.01 C Shift Assignments>> C :: 173.646 CA :: 54.956 CB :: 39.628 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 :: 6.978 HA :: 4.430 HB2 :: 2.604 HB3 :: 2.530 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 :: 114.952 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 173.819 CA :: 46.176 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.876 HA2 :: 4.038 HA3 :: 3.708 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.046 Ave N Shift Values>> N :: 109.91(4.29) 1.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.28 R 0.21 K 0.04 G 0.01 C Shift Assignments>> C :: 175.352 CA :: 54.272 CB :: 41.914 CG :: 28.245 CD1 :: 26.481 CD2 :: 24.652 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 :: 7.632 HA :: 4.424 HB2 :: 1.195 HB3 :: 1.195 HG :: 1.392 HD11 :: 0.634 HD12 :: 0.634 HD13 :: 0.634 HD21 :: 0.633 HD22 :: 0.633 HD23 :: 0.633 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 :: 121.563 Ave N Shift Values>> N :: 121.98(4.07) 1.V148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 HN Overlap>> 1.I136 1.I136 C Shift Assignments>> C :: 175.460 CA :: 62.017 CB :: 34.016 CG1 :: 21.758 CG2 :: 21.303 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 :: 7.869 HA :: 3.970 HB :: 1.876 HG11 :: 0.904 HG12 :: 0.904 HG13 :: 0.904 HG21 :: 0.813 HG22 :: 0.813 HG23 :: 0.813 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 :: 119.076 Ave N Shift Values>> N :: 121.02(4.96) 1.I149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 175.401 CA :: 60.181 CB :: 37.122 CG1 :: 27.319 CG2 :: 17.613 CD1 :: 13.115 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 :: 8.488 HA :: 3.989 HB :: 1.928 HG12 :: 1.351 HG13 :: 1.071 HG21 :: 0.846 HG22 :: 0.846 HG23 :: 0.846 HD11 :: 0.790 HD12 :: 0.790 HD13 :: 0.790 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 :: 127.102 Ave N Shift Values>> N :: 121.6(4.72) 1.N150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.22 C 0.14 Y 0.06 F 0.06 L 0.04 C Shift Assignments>> C :: 175.278 CA :: 52.817 CB :: 39.199 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 :: 8.721 HA :: 4.665 HB2 :: 3.200 HB3 :: 2.905 HD21 :: 6.944 HD22 :: 7.662 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 :: 126.860 ND2 :: 111.912 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.22 F 0.21 D 0.07 I 0.07 N 0.05 E 0.05 L 0.03 C Shift Assignments>> C :: 176.589 CA :: 56.935 CB :: 38.737 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 :: 8.673 HA :: 4.349 HB2 :: 2.904 HB3 :: 2.746 HD21 :: 7.637 HD22 :: 6.910 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 :: 117.106 ND2 :: 112.634 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.22 C 0.2 D 0.1 I 0.06 L 0.05 N 0.05 E 0.02 C Shift Assignments>> C :: 178.281 CA :: 56.853 CB :: 39.217 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 :: 8.217 HA :: 4.185 HB2 :: 2.535 HB3 :: 2.607 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 :: 119.106 Ave N Shift Values>> N :: 120.73(4.2) 1.V153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 178.089 CA :: 67.190 CB :: 31.481 CG1 :: 24.021 CG2 :: 23.356 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 :: 7.876 HA :: 3.573 HB :: 2.146 HG11 :: 1.161 HG12 :: 1.161 HG13 :: 1.161 HG21 :: 0.974 HG22 :: 0.974 HG23 :: 0.974 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 :: 121.511 Ave N Shift Values>> N :: 121.02(4.96) 1.N154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.23 C 0.21 I 0.09 D 0.05 E 0.04 L 0.03 N 0.02 HN Overlap>> 1.S124 1.S124 C Shift Assignments>> C :: 178.220 CA :: 57.585 CB :: 38.903 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 :: 8.167 HA :: 4.351 HB2 :: 2.918 HB3 :: 2.738 HD21 :: 6.899 HD22 :: 7.870 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 :: 117.955 ND2 :: 115.403 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.24 C 0.18 D 0.1 L 0.07 I 0.06 N 0.03 K 0.02 E 0.01 HN Overlap>> 1.N125 1.N125 C Shift Assignments>> C :: 178.838 CA :: 57.133 CB :: 39.736 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 :: 8.511 HA :: 4.411 HB2 :: 2.734 HB3 :: 2.605 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 :: 121.146 Ave N Shift Values>> N :: 120.73(4.2) 1.F156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.25 I 0.23 C 0.18 L 0.01 E 0.01 D 0.01 HN Overlap>> 1.I91 1.W89 1.I91 1.W89 C Shift Assignments>> C :: 176.650 CA :: 59.677 CB :: 39.400 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 :: 7.919 HA :: 4.553 HB2 :: 3.238 HB3 :: 3.238 HD1 :: 7.186 HD2 :: 7.186 HE1 :: 7.288 HE2 :: 7.288 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 :: 120.670 Ave N Shift Values>> N :: 120.69(4.18) 1.M157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.3 I 0.01 HN Overlap>> 1.S112 1.Q122 1.S112 1.Q122 C Shift Assignments>> C :: 177.969 CA :: 60.636 CB :: 33.440 CG :: 33.573 CE :: 18.700 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 :: 8.378 HA :: 3.886 HB2 :: 2.269 HB3 :: 2.244 HG2 :: 2.894 HG3 :: 2.894 HE1 :: 2.123 HE2 :: 2.123 HE3 :: 2.123 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 :: 117.982 Ave N Shift Values>> N :: 120.1(3.88) 1.T158 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 :: 176.333 CA :: 66.808 CB :: 69.247 CG2 :: 22.024 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 :: 8.683 HA :: 4.213 HB :: 4.323 HG21 :: 1.289 HG22 :: 1.289 HG23 :: 1.289 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 :: 115.674 Ave N Shift Values>> N :: 115.7(5.05) 1.E159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.27 I 0.26 K 0.08 Q 0.03 C Shift Assignments>> C :: 178.589 CA :: 59.875 CB :: 28.614 CG :: 36.136 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 :: 7.846 HA :: 3.985 HB2 :: 2.038 HB3 :: 1.841 HG2 :: 2.429 HG3 :: 2.292 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 :: 121.717 Ave N Shift Values>> N :: 120.68(3.68) 1.H160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.16 V 0.13 I 0.12 E 0.09 R 0.09 H 0.06 P 0.05 Q 0.04 K 0.03 M 0.02 C Shift Assignments>> C :: 178.589 CA :: 60.587 CB :: 30.572 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 :: 7.111 HA :: 4.236 HB2 :: 2.681 HB3 :: 3.025 HD2 :: 6.414 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 :: 115.847 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.22 K 0.04 M 0.02 C Shift Assignments>> C :: 181.544 CA :: 58.803 CB :: 29.640 CG :: 37.101 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 :: 8.557 HA :: 4.552 HB2 :: 2.362 HB3 :: 2.099 HG2 :: 2.579 HG3 :: 2.453 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 :: 121.494 Ave N Shift Values>> N :: 120.68(3.68) 1.R162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.38 G 0.16 K 0.05 C Shift Assignments>> C :: 177.898 CA :: 59.174 CB :: 30.561 CG :: 28.247 CD :: 43.954 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 :: 8.699 HA :: 4.225 HB2 :: 1.970 HB3 :: 1.970 HG2 :: 1.852 HG3 :: 1.747 HD2 :: 3.188 HD3 :: 3.188 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 :: 120.960 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.K163 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.44 G 0.04 M 0.03 C Shift Assignments>> C :: 176.335 CA :: 55.300 CB :: 31.637 CG :: 29.260(S) CD :: 25.539 CE :: 42.818 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 :: 7.333 HA :: 4.382 HB2 :: 2.131 HB3 :: 1.799 HG2 :: 1.682 HG3 :: 1.562 HD2 :: 1.464 HD3 :: 1.554 HE2 :: 2.948 HE3 :: 2.948 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 :: 117.653 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.11 L 0.05 C Shift Assignments>> C :: 174.829 CA :: 46.308 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.023 HA2 :: 4.224 HA3 :: 3.861 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.739 Ave N Shift Values>> N :: 109.91(4.29) 1.R165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 G 0.42 R 0.07 K 0.02 C Shift Assignments>> C :: 175.207 CA :: 55.009 CB :: 33.225 CG :: 29.767 CD :: 44.740 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 :: 7.944 HA :: 4.732 HB2 :: 1.636 HB3 :: 1.704 HG2 :: 1.464 HG3 :: 1.464 HD2 :: 2.958 HD3 :: 3.179 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 :: 119.741 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.T166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 172.579 CA :: 62.424 CB :: 70.047 CG2 :: 21.617 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 :: 8.609 HA :: 4.441 HB :: 3.753 HG21 :: 1.043 HG22 :: 1.043 HG23 :: 1.043 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 :: 116.193 Ave N Shift Values>> N :: 115.7(5.05) 1.A167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 L 0.12 M 0.1 C 0.1 C Shift Assignments>> C :: 175.306 CA :: 50.593 CB :: 21.677 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.991 HA :: 5.406 HB1 :: 1.304 HB2 :: 1.304 HB3 :: 1.304 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.607 Ave N Shift Values>> N :: 123.23(3.7) 1.V168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.45 I 0.01 C Shift Assignments>> C :: 173.891 CA :: 60.348 CB :: 35.064 CG1 :: 22.595 CG2 :: 20.730 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 :: 9.025 HA :: 4.540 HB :: 2.127 HG11 :: 0.948 HG12 :: 0.948 HG13 :: 0.948 HG21 :: 0.740 HG22 :: 0.740 HG23 :: 0.740 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 :: 117.674 Ave N Shift Values>> N :: 121.02(4.96) 1.L169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.24 L 0.12 R 0.07 C Shift Assignments>> C :: 175.327 CA :: 54.252 CB :: 45.327 CG :: 28.422 CD1 :: 24.266 CD2 :: 26.726 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 :: 9.295 HA :: 5.098 HB2 :: 1.828 HB3 :: 1.526 HG :: 1.727 HD11 :: 1.035 HD12 :: 1.035 HD13 :: 1.035 HD21 :: 0.964 HD22 :: 0.964 HD23 :: 0.964 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 :: 124.239 Ave N Shift Values>> N :: 121.98(4.07) 1.V170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.13 W 0.12 M 0.12 R 0.12 E 0.09 H 0.08 V 0.06 Q 0.04 I 0.01 C Shift Assignments>> CA :: 58.268 CB :: 31.993 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 :: 8.353 HA :: 5.029 HB :: 2.434 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 :: 117.106 Ave N Shift Values>> N :: 121.02(4.96) 1.A171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 A 0.23 C 0.21 M 0.08 K 0.04 P 0.01 C Shift Assignments>> C :: 175.771 CA :: 50.643 CB :: 23.043 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.500 HA :: 5.525 HB1 :: 1.149 HB2 :: 1.149 HB3 :: 1.149 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.899 Ave N Shift Values>> N :: 123.23(3.7) 1.V172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 176.198 CA :: 60.766 CB :: 34.850 CG1 :: 22.418 CG2 :: 22.486 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 :: 8.395 HA :: 4.963 HB :: 2.081 HG11 :: 0.967 HG12 :: 0.967 HG13 :: 0.967 HG21 :: 0.726 HG22 :: 0.726 HG23 :: 0.726 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 :: 120.758 Ave N Shift Values>> N :: 121.02(4.96) 1.D173 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.23 Y 0.23 C 0.18 D 0.11 L 0.08 I 0.05 N 0.04 K 0.03 E 0.01 C Shift Assignments>> C :: 174.842 CA :: 56.982 CB :: 39.780 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 :: 10.212(S) HA :: 4.300 HB2 :: 2.895 HB3 :: 2.772 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 :: 129.881 Ave N Shift Values>> N :: 120.73(4.2) 1.D174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 F 0.21 C 0.19 D 0.13 L 0.07 N 0.06 I 0.04 K 0.01 E 0.01 C Shift Assignments>> CA :: 56.541 CB :: 39.520 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 :: 9.078 HA :: 3.950 HB2 :: 2.865 HB3 :: 2.865 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 :: 109.308 Ave N Shift Values>> N :: 120.73(4.2) 1.E175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.22 E 0.18 HN Overlap>> 1.C71 1.C71 C Shift Assignments>> C :: 175.704 CA :: 55.181 CB :: 33.155 CG :: 36.668 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 :: 7.647 HA :: 4.600 HB2 :: 2.040 HB3 :: 1.872 HG2 :: 2.252 HG3 :: 2.252 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 :: 117.422 Ave N Shift Values>> N :: 120.68(3.68) 1.L176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.33 R 0.22 K 0.04 C Shift Assignments>> C :: 176.083 CA :: 56.561 CB :: 41.722 CG :: 28.211 CD1 :: 26.441 CD2 :: 23.968 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 :: 9.140 HA :: 4.411 HB2 :: 1.843 HB3 :: 1.530 HG :: 1.108 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 HD21 :: 0.637 HD22 :: 0.637 HD23 :: 0.637 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 :: 128.907 Ave N Shift Values>> N :: 121.98(4.07) 1.C177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.13 W 0.13 R 0.11 M 0.11 E 0.09 V 0.09 H 0.07 Q 0.04 I 0.01 C Shift Assignments>> C :: 174.329 CA :: 58.743 CB :: 32.054 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.985 HA :: 5.076 HB2 :: 2.970 HB3 :: 2.758 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 :: 120.220 Ave N Shift Values>> N :: 119.95(4.79) 1.G178 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 169.191 CA :: 45.424 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.327 HA2 :: 5.363(S) HA3 :: 3.306 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.595 Ave N Shift Values>> N :: 109.91(4.29) 1.L179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 G 0.43 L 0.06 C Shift Assignments>> C :: 174.211 CA :: 54.331 CB :: 46.595 CG :: 27.820 CD1 :: 27.386 CD2 :: 26.765 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 :: 8.771 HA :: 5.171 HB2 :: 1.488 HB3 :: 1.372 HG :: 1.544 HD11 :: 0.825 HD12 :: 0.825 HD13 :: 0.825 HD21 :: 0.785 HD22 :: 0.785 HD23 :: 0.785 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 :: 122.101 Ave N Shift Values>> N :: 121.98(4.07) 1.I180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.37 C Shift Assignments>> C :: 173.695 CA :: 59.857 CB :: 41.295 CG1 :: 26.037 CG2 :: 17.731 CD1 :: 14.290 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 :: 9.365 HA :: 4.777 HB :: 1.641 HG12 :: 0.744 HG21 :: 0.640 HG22 :: 0.640 HG23 :: 0.640 HD11 :: 0.655 HD12 :: 0.655 HD13 :: 0.655 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 :: 125.019 Ave N Shift Values>> N :: 121.6(4.72) 1.A181 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.86 M 0.08 C 0.03 L 0.01 C Shift Assignments>> C :: 176.342 CA :: 50.193 CB :: 20.056 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.832 HA :: 5.097 HB1 :: 0.494(S) HB2 :: 0.494(S) HB3 :: 0.494(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.056 Ave N Shift Values>> N :: 123.23(3.7) 1.I182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 173.711 CA :: 60.528 CB :: 40.847 CG1 :: 28.170 CG2 :: 19.460 CD1 :: 14.363 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 :: 9.294 HA :: 4.484 HB :: 1.618 HG12 :: 1.208 HG13 :: 0.930 HG21 :: 0.681 HG22 :: 0.681 HG23 :: 0.681 HD11 :: 0.564 HD12 :: 0.564 HD13 :: 0.564 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 :: 125.396 Ave N Shift Values>> N :: 121.6(4.72) 1.A183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 A 0.23 C 0.21 M 0.08 K 0.04 P 0.01 C Shift Assignments>> C :: 175.289 CA :: 50.735 CB :: 23.023 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.015 HA :: 4.903 HB1 :: 1.403 HB2 :: 1.403 HB3 :: 1.403 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.293 Ave N Shift Values>> N :: 123.23(3.7) 1.D184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.22 K 0.13 R 0.12 C 0.1 F 0.05 N 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 175.932 CA :: 53.832 CB :: 42.275 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 :: 8.619 HA :: 4.744 HB2 :: 2.677 HB3 :: 2.646 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 :: 120.542 Ave N Shift Values>> N :: 120.73(4.2) 1.T185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 179.036 CA :: 63.517 CB :: 71.994 CG2 :: 22.743 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 :: 7.791 HA :: 4.239 HB :: 4.215 HG21 :: 1.141 HG22 :: 1.141 HG23 :: 1.141 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 :: 119.165 Ave N Shift Values>> N :: 115.7(5.05) 2.ATP1 Overall Status: Residue type ATP not supported. ########################################################################### Overall Results: #Consistent: 174 #Clerical: 0 #Suspicious: 9 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 175 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 185 #Suspicious: 0 C Shift Results: #Consistent: 673 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent:1163 #Duplicate: 0 #Unknown: 0 #Suspicious: 15 #Anomalous: 0 N Shift Results: #Consistent: 192 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.V10 HG21 = -0.129(S), Expected = 0.83, Std = 0.2900, ChiSquare = 9.4336e-04 1.V10 HG22 = -0.129(S), Expected = 0.83, Std = 0.2900, ChiSquare = 9.4336e-04 1.V10 HG23 = -0.129(S), Expected = 0.83, Std = 0.2900, ChiSquare = 9.4336e-04 1.E35 N = 109.790(A), Expected = 120.68, Std = 3.6800, ChiSquare = 3.0840e-03 1.P41 HD3 = 2.238(S), Expected = 3.63, Std = 0.4000, ChiSquare = 5.0141e-04 1.L42 H = 11.189(S), Expected = 8.22, Std = 0.6500, ChiSquare = 4.9312e-06 1.T47 CA = 69.300(A), Expected = 62.15, Std = 2.7200, ChiSquare = 8.5718e-03 1.E53 HG3 = 1.599(S), Expected = 2.31, Std = 0.2100, ChiSquare = 7.0993e-04 1.E140 HB2 = 2.938(S), Expected = 2.04, Std = 0.2200, ChiSquare = 4.4685e-05 1.E140 HB3 = 2.829(S), Expected = 2.04, Std = 0.2300, ChiSquare = 6.0261e-04 1.E140 HG2 = 3.200(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.2542e-05 1.E140 HG3 = 3.079(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.5035e-04 1.K163 CG = 29.260(S), Expected = 24.91, Std = 1.3100, ChiSquare = 8.9821e-04 1.D173 H = 10.212(S), Expected = 8.33, Std = 0.5700, ChiSquare = 9.6082e-04 1.G178 HA2 = 5.363(S), Expected = 3.95, Std = 0.4000, ChiSquare = 4.1165e-04 1.A181 HB1 = 0.494(S), Expected = 1.38, Std = 0.2500, ChiSquare = 3.9411e-04 1.A181 HB2 = 0.494(S), Expected = 1.38, Std = 0.2500, ChiSquare = 3.9411e-04 1.A181 HB3 = 0.494(S), Expected = 1.38, Std = 0.2500, ChiSquare = 3.9411e-04