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>> R 0.14 H 0.14 C 0.13 W 0.12 E 0.12 Q 0.1 M 0.1 K 0.08 V 0.01 C Shift Assignments>> C :: 175.521 CA :: 56.016 CB :: 30.773 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 :: 8.767 HA :: 4.625 HB2 :: 3.157 HB3 :: 3.041 HD2 :: 7.290 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 :: 121.186 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 0.68 L 0.12 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 173.735 CA :: 45.014 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.754 HA2 :: 4.067 HA3 :: 3.909 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.311 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 0.84 C 0.14 C Shift Assignments>> CA :: 59.402 CB :: 69.919 CG2 :: 21.219 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 :: 8.422 HA :: 4.630 HB :: 4.043 HG21 :: 1.170 HG22 :: 1.170 HG23 :: 1.170 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 :: 117.990 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 0.69 C 0.3 C Shift Assignments>> CA :: 62.504 CB :: 32.462 CG :: 28.571 CD :: 50.691 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 :: 4.665 HB2 :: 2.112 HB3 :: 1.500 HG2 :: 1.813 HG3 :: 1.813 HD2 :: 3.858 HD3 :: 3.693 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 0.54 V 0.31 M 0.08 I 0.04 C Shift Assignments>> C :: 175.365 CA :: 60.398 CB :: 35.671 CG1 :: 21.038 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 :: 8.611 HA :: 4.359 HB :: 1.890 HG11 :: 0.849 HG12 :: 0.849 HG13 :: 0.849 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 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 :: 118.145 Ave N Shift Values>> N :: 121.02(4.96) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 HN Overlap>> 1.L135 1.L135 C Shift Assignments>> C :: 174.354 CA :: 63.745 CB :: 31.323 CG1 :: 22.567 CG2 :: 20.577 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 :: 8.689 HA :: 3.559 HB :: 1.372 HG11 :: 0.480 HG12 :: 0.480 HG13 :: 0.480 HG21 :: -0.120 HG22 :: -0.120 HG23 :: -0.120 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 :: 125.475 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 0.25 D 0.17 K 0.16 R 0.13 C 0.1 F 0.06 Y 0.05 N 0.02 C Shift Assignments>> C :: 174.500 CA :: 54.896 CB :: 42.231 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 :: 9.066 HA :: 4.597 HB2 :: 2.499 HB3 :: 2.075 HD21 :: 7.674 HD22 :: 6.652 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 :: 127.290 ND2 :: 109.152 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 0.41 E 0.3 M 0.23 Q 0.02 I 0.01 K 0.01 C Shift Assignments>> C :: 173.145 CA :: 55.643 CB :: 31.937 CG :: 36.416 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 :: 7.361 HA :: 4.423 HB2 :: 1.987 HB3 :: 1.866 HG2 :: 2.301 HG3 :: 2.161 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 :: 114.698 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 0.68 C 0.31 C Shift Assignments>> C :: 174.062 CA :: 61.819 CB :: 33.338 CG1 :: 21.982 CG2 :: 20.068 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 :: 8.723 HA :: 4.610 HB :: 2.026 HG11 :: 0.746 HG12 :: 0.746 HG13 :: 0.746 HG21 :: 0.631 HG22 :: 0.631 HG23 :: 0.631 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 :: 124.435 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 0.47 K 0.34 R 0.15 M 0.01 C Shift Assignments>> C :: 174.802 CA :: 54.478 CB :: 36.234 CG :: 24.778 CD :: 29.264 CE :: 41.653 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 :: 9.326 HA :: 4.727 HB2 :: 1.674 HB3 :: 1.496 HG2 :: 1.189 HG3 :: 1.008 HD2 :: 1.467 HD3 :: 1.210 HE2 :: 2.513 HE3 :: 2.370 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 :: 128.531 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 0.74 C 0.25 C Shift Assignments>> C :: 176.687 CA :: 62.324 CB :: 31.958 CG1 :: 21.969 CG2 :: 21.833 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 :: 8.933 HA :: 4.421 HB :: 2.075 HG11 :: 1.087 HG12 :: 1.087 HG13 :: 1.087 HG21 :: 0.925 HG22 :: 0.925 HG23 :: 0.925 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 :: 126.831 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 0.58 C 0.23 A 0.07 K 0.05 G 0.05 C Shift Assignments>> C :: 176.489 CA :: 54.475 CB :: 42.810 CG :: 26.369 CD2 :: 22.609 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 :: 8.205 HA :: 4.337 HB2 :: 1.651 HB3 :: 1.316 HG :: 0.760 HD21 :: 0.729 HD22 :: 0.729 HD23 :: 0.729 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 :: 125.558 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 0.85 C 0.14 C Shift Assignments>> C :: 173.739 CA :: 59.707 CB :: 69.445 CG2 :: 21.597 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 :: 7.298 HA :: 4.579 HB :: 4.277 HG21 :: 1.210 HG22 :: 1.210 HG23 :: 1.210 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.670 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 0.37 C 0.35 M 0.09 K 0.08 I 0.04 Q 0.03 C Shift Assignments>> C :: 177.008 CA :: 56.342 CB :: 30.138 CG :: 36.402 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 :: 8.683 HA :: 4.391 HB2 :: 2.171 HB3 :: 1.951 HG2 :: 2.285 HG3 :: 2.208 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.857 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 C Shift Assignments>> C :: 174.866 CA :: 58.704 CB :: 63.455 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.438 HA :: 4.363 HB2 :: 3.980 HB3 :: 3.871 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 :: 116.556 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 0.31 C 0.22 Y 0.13 D 0.1 F 0.09 E 0.06 M 0.02 L 0.02 I 0.01 C Shift Assignments>> C :: 175.541 CA :: 54.436 CB :: 37.983 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 :: 8.559 HA :: 4.595 HB2 :: 2.894 HB3 :: 2.894 HD21 :: 7.754 HD22 :: 6.984 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 :: 119.056 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 0.41 C 0.36 K 0.16 G 0.05 HN Overlap>> 1.N128 1.N128 C Shift Assignments>> C :: 176.141 CA :: 57.504 CB :: 30.644 CG :: 27.793 CD :: 43.174 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 :: 8.139 HA :: 4.233 HB2 :: 1.924 HB3 :: 1.828 HG2 :: 1.678 HG3 :: 1.604 HD2 :: 3.240 HD3 :: 3.240 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.729 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 0.61 C 0.38 C Shift Assignments>> C :: 173.366 CA :: 59.716 CB :: 39.060 CG1 :: 27.789 CG2 :: 17.484 CD1 :: 12.576 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 :: 7.684 HA :: 4.248 HB :: 1.832 HG12 :: 1.216 HG13 :: 1.216 HG21 :: 0.793 HG22 :: 0.793 HG23 :: 0.793 HD11 :: 0.745 HD12 :: 0.745 HD13 :: 0.745 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 :: 118.266 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 0.98 T 0.01 C Shift Assignments>> C :: 174.166 CA :: 56.511 CB :: 65.536 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.584 HA :: 4.615 HB2 :: 4.362 HB3 :: 4.008 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 :: 119.825 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 0.34 C 0.25 Y 0.14 E 0.1 F 0.08 V 0.04 M 0.01 C Shift Assignments>> CA :: 61.131 CB :: 36.810 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 :: 9.122 HA :: 3.910 HB2 :: 3.027 HB3 :: 3.027 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 :: 121.181 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 0.84 C 0.15 HN Overlap>> 1.F65 1.N128 1.F65 1.N128 C Shift Assignments>> C :: 177.424 CA :: 64.773 CB :: 36.230 CG1 :: 30.425 CG2 :: 16.761 CD1 :: 13.726 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 :: 8.287 HA :: 3.549 HB :: 1.910 HG12 :: 1.464 HG13 :: 1.043 HG21 :: 0.694 HG22 :: 0.694 HG23 :: 0.694 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 :: 118.725 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 0.44 C 0.43 K 0.1 C Shift Assignments>> C :: 179.139 CA :: 57.475 CB :: 41.074 CG :: 26.213 CD1 :: 22.734 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 :: 7.861 HA :: 3.967 HB2 :: 1.992 HB3 :: 1.064 HG :: 1.720 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 HD21 :: 0.840 HD22 :: 0.840 HD23 :: 0.840 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 :: 119.119 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 0.48 A 0.42 C 0.04 I 0.02 V 0.01 L 0.01 HN Overlap>> 1.M117 1.M117 C Shift Assignments>> C :: 180.173 CA :: 55.002 CB :: 19.139 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.205 HA :: 3.678 HB1 :: 1.355 HB2 :: 1.355 HB3 :: 1.355 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.613 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.E81 1.N125 1.E81 C Shift Assignments>> C :: 176.996 CA :: 65.911 CB :: 38.401 CG1 :: 30.634 CG2 :: 18.547 CD1 :: 13.908 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 :: 8.388 HA :: 3.455 HB :: 1.679 HG12 :: 0.253 HG13 :: 1.546 HG21 :: 0.659 HG22 :: 0.659 HG23 :: 0.659 HD11 :: 0.035 HD12 :: 0.035 HD13 :: 0.035 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 :: 121.093 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 0.84 C 0.15 C Shift Assignments>> C :: 177.506 CA :: 66.339 CB :: 31.171 CG1 :: 24.427 CG2 :: 22.271 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 :: 9.054 HA :: 3.432 HB :: 2.091 HG11 :: 0.922 HG12 :: 0.922 HG13 :: 0.922 HG21 :: 0.742 HG22 :: 0.742 HG23 :: 0.742 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 :: 118.495 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>> G 0.34 C 0.26 P 0.22 A 0.08 N 0.03 L 0.01 D 0.01 C Shift Assignments>> C :: 175.001 CA :: 48.074 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.850 HA2 :: 3.542 HA3 :: 3.362 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.901 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 0.97 C 0.02 C Shift Assignments>> C :: 176.531 CA :: 68.137 CB :: 67.754 CG2 :: 22.056 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 :: 7.478 HA :: 4.189 HB :: 3.659 HG21 :: 1.017 HG22 :: 1.017 HG23 :: 1.017 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 :: 116.565 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 0.55 A 0.34 I 0.03 C 0.03 V 0.01 HN Overlap>> 1.A121 1.A121 C Shift Assignments>> C :: 178.041 CA :: 55.374 CB :: 18.538 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.267 HA :: 4.262 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 :: 124.492 Ave N Shift Values>> N :: 123.23(3.7) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 L 0.15 Q 0.13 C 0.11 K 0.11 H 0.09 W 0.08 E 0.06 I 0.04 C Shift Assignments>> C :: 178.646 CA :: 56.717 CB :: 27.357 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 :: 7.889 HA :: 4.228 HB2 :: 1.608 HB3 :: 1.608 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 :: 110.462 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 :: 61.681 CB :: 63.059 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.643 HA :: 4.195 HB2 :: 3.877 HB3 :: 3.877 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 :: 116.401 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 0.47 D 0.19 C 0.15 Y 0.06 F 0.05 L 0.03 C Shift Assignments>> C :: 174.283 CA :: 52.726 CB :: 38.868 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 :: 7.501 HA :: 4.625 HB2 :: 2.080 HB3 :: 1.855 HD21 :: 6.560 HD22 :: 6.80 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 :: 118.161 ND2 :: 111.880 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 0.99 C Shift Assignments>> C :: 174.916 CA :: 57.274 CB :: 64.246 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.601 HA :: 4.292 HB2 :: 3.886 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 :: 114.019 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 0.36 C 0.35 K 0.12 Q 0.06 M 0.05 I 0.04 C Shift Assignments>> C :: 175.772 CA :: 55.744 CB :: 29.464 CG :: 36.202 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 :: 8.972 HA :: 4.342 HB2 :: 2.129 HB3 :: 1.884 HG2 :: 2.153 HG3 :: 2.153 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 :: 125.319 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>> M 0.19 C 0.16 K 0.14 R 0.12 H 0.12 W 0.09 E 0.07 Q 0.06 V 0.01 HN Overlap>> 1.L101 1.L101 C Shift Assignments>> C :: 175.028 CA :: 55.058 CB :: 31.957 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 :: 8.133 HA :: 4.664 HB2 :: 2.982 HB3 :: 3.161 HD2 :: 7.110 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 :: 123.217 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> CA :: 65.498 CB :: 32.322 CD :: 50.410 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 :: 4.306 HB2 :: 2.322 HB3 :: 1.774 HD2 :: 3.650 HD3 :: 2.582 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: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.4 K 0.05 C Shift Assignments>> C :: 178.639 CA :: 58.489 CB :: 41.293 CD1 :: 24.973 CD2 :: 24.682 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 :: 10.244 HA :: 3.979 HB2 :: 1.765 HB3 :: 1.544 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 HD21 :: 0.731 HD22 :: 0.731 HD23 :: 0.731 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.540 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>> G 0.47 C 0.27 P 0.12 A 0.06 N 0.02 L 0.01 HN Overlap>> 1.G60 1.G60 C Shift Assignments>> C :: 177.258 CA :: 47.863 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.669 HA2 :: 3.869 HA3 :: 3.733 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.069 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 0.97 C 0.02 C Shift Assignments>> C :: 176.895 CA :: 65.710 CB :: 68.147 CG2 :: 21.859 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 :: 8.509 HA :: 4.087 HB :: 4.157 HG21 :: 1.200 HG22 :: 1.200 HG23 :: 1.200 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 :: 119.209 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 0.37 I 0.03 C 0.03 C Shift Assignments>> C :: 181.310 CA :: 55.217 CB :: 18.443 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.851 HA :: 4.178 HB1 :: 1.400 HB2 :: 1.400 HB3 :: 1.400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.983 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 0.91 C 0.08 C Shift Assignments>> C :: 177.740 CA :: 65.793 CB :: 38.291 CG1 :: 30.199 CG2 :: 18.974 CD1 :: 13.345 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 :: 3.527 HB :: 1.739 HG12 :: 1.870 HG13 :: 0.486 HG21 :: 0.683 HG22 :: 0.683 HG23 :: 0.683 HD11 :: 0.616 HD12 :: 0.616 HD13 :: 0.616 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 :: 119.070 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 0.96 C 0.03 C Shift Assignments>> C :: 175.887 CA :: 69.279(A) CB :: 67.810 CG2 :: 21.772 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 :: 8.602 HA :: 3.480 HB :: 4.103 HG21 :: 1.083 HG22 :: 1.083 HG23 :: 1.083 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 :: 118.940 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 0.39 K 0.3 R 0.13 V 0.05 P 0.03 Q 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 178.563 CA :: 59.900 CB :: 32.606 CG :: 25.345 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 :: 8.158 HA :: 3.846 HB2 :: 1.918 HB3 :: 1.918 HG2 :: 1.581 HG3 :: 1.414 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 :: 120.283 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 0.19 Y 0.18 C 0.16 E 0.01 C Shift Assignments>> C :: 177.083 CA :: 61.476 CB :: 39.033 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 :: 7.713 HA :: 4.185 HB2 :: 3.227 HB3 :: 3.127 HD1 :: 7.053 HD2 :: 7.053 HE1 :: 6.681 HE2 :: 6.681 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 :: 119.572 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>> P 0.51 I 0.41 C 0.04 V 0.01 C Shift Assignments>> C :: 176.406 CA :: 65.136 CB :: 27.181 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.380 HA :: 3.764 HB2 :: 2.997 HB3 :: 2.472 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 0.46 K 0.18 M 0.13 Q 0.1 R 0.06 E 0.03 P 0.01 I 0.01 HN Overlap>> 1.S116 1.M157 1.S116 1.M157 C Shift Assignments>> C :: 178.714 CA :: 60.593 CB :: 32.278 CD :: 30.358 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 :: 8.312 HA :: 3.739 HB2 :: 2.114 HB3 :: 2.114 HG2 :: 1.010 HG3 :: 1.010 HD2 :: 1.585 HD3 :: 1.585 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 :: 117.410 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 0.24 K 0.23 E 0.13 R 0.05 M 0.03 I 0.02 HN Overlap>> 1.H85 1.H85 C Shift Assignments>> C :: 179.547 CA :: 58.568 CB :: 28.913 CG :: 33.972 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 :: 7.777 HA :: 4.068 HB2 :: 2.192 HB3 :: 2.103 HG2 :: 2.362 HG3 :: 2.258 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 :: 117.627 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>> E 0.34 C 0.34 M 0.12 Q 0.06 K 0.06 I 0.05 C Shift Assignments>> C :: 178.477 CA :: 58.050 CB :: 30.782 CG :: 35.867 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 :: 8.162 HA :: 3.808 HB2 :: 1.821 HB3 :: 1.551 HG2 :: 1.650 HG3 :: 1.596(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 :: 118.387 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>> L 0.48 C 0.25 R 0.16 G 0.07 C Shift Assignments>> C :: 175.846 CA :: 54.835 CB :: 43.188 CG :: 27.094 CD1 :: 25.131 CD2 :: 26.476 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 :: 7.794 HA :: 4.104 HB2 :: 1.443 HB3 :: 1.443 HG :: 1.547 HD11 :: 0.510 HD12 :: 0.510 HD13 :: 0.510 HD21 :: 0.680 HD22 :: 0.680 HD23 :: 0.680 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 :: 115.865 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>> N 0.26 D 0.23 C 0.15 Y 0.12 F 0.11 L 0.07 C Shift Assignments>> C :: 173.712 CA :: 54.339 CB :: 39.417 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 :: 7.733 HA :: 4.216 HB2 :: 3.112 HB3 :: 2.266 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 :: 120.098 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 0.79 C 0.17 A 0.02 C Shift Assignments>> C :: 172.039 CA :: 58.841 CB :: 70.152 CG2 :: 20.280 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 :: 7.902 HA :: 4.769 HB :: 3.841 HG21 :: 1.018 HG22 :: 1.018 HG23 :: 1.018 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.774 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 0.36 C 0.35 M 0.16 K 0.04 Q 0.03 I 0.02 C Shift Assignments>> C :: 176.536 CA :: 56.159 CB :: 30.969 CG :: 36.283 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 :: 8.463 HA :: 4.394 HB2 :: 1.869 HB3 :: 1.869 HG2 :: 2.220 HG3 :: 2.188 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 :: 123.066 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 :: 173.386 CA :: 60.630 CB :: 70.595 CG2 :: 21.787 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 :: 7.947 HA :: 4.418 HB :: 4.012 HG21 :: 1.211 HG22 :: 1.211 HG23 :: 1.211 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 :: 113.574 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 0.2 A 0.18 R 0.04 G 0.01 HN Overlap>> 1.Q131 1.Q131 C Shift Assignments>> C :: 176.023 CA :: 53.131 CB :: 41.863 CG :: 26.657 CD1 :: 25.987 CD2 :: 22.115 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 :: 8.603 HA :: 4.687 HB2 :: 1.705 HB3 :: 1.546 HG :: 1.281 HD11 :: 0.653 HD12 :: 0.653 HD13 :: 0.653 HD21 :: 1.005 HD22 :: 1.005 HD23 :: 1.005 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 :: 124.884 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 0.69 L 0.12 C 0.08 R 0.06 F 0.01 HN Overlap>> 1.G43 1.G43 C Shift Assignments>> C :: 172.931 CA :: 45.050 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.728 HA2 :: 4.565 HA3 :: 3.475 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.108 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 0.91 C 0.08 HN Overlap>> 1.M157 1.M157 C Shift Assignments>> C :: 172.126 CA :: 61.746 CB :: 70.398 CG2 :: 21.972 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 :: 8.402 HA :: 4.500 HB :: 3.737 HG21 :: 1.102 HG22 :: 1.102 HG23 :: 1.102 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 :: 117.304 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 0.15 H 0.12 R 0.12 W 0.11 C 0.11 E 0.11 L 0.04 I 0.03 M 0.02 C Shift Assignments>> C :: 173.550 CA :: 56.966 CB :: 28.544 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.027 HA :: 5.075 HB2 :: 2.780 HB3 :: 2.666 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 :: 127.119 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 0.59 C 0.39 C Shift Assignments>> C :: 174.401 CA :: 59.855 CB :: 41.764 CG1 :: 27.526 CG2 :: 17.810 CD1 :: 13.685 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 :: 9.404 HA :: 4.421 HB :: 1.637 HG12 :: 1.276 HG13 :: 0.929 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 HD11 :: 0.721 HD12 :: 0.721 HD13 :: 0.721 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 :: 127.681 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>> N 0.23 C 0.19 D 0.17 Y 0.15 F 0.13 L 0.05 E 0.02 I 0.01 C Shift Assignments>> C :: 174.401 CA :: 54.903 CB :: 38.857 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 :: 8.844 HA :: 4.309 HB2 :: 2.950 HB3 :: 2.627 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 :: 121.872 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 0.27 Y 0.24 I 0.23 C 0.17 K 0.02 L 0.02 HN Overlap>> 1.I27 1.I27 C Shift Assignments>> C :: 175.755 CA :: 60.050 CB :: 39.995 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 :: 8.373 HA :: 4.565 HB2 :: 2.968 HB3 :: 3.044 HD1 :: 7.280 HD2 :: 7.280 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 :: 118.765 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 0.4 C 0.32 Q 0.16 E 0.05 K 0.03 HN Overlap>> 1.A181 1.A181 C Shift Assignments>> C :: 173.122 CA :: 54.842 CB :: 32.076 CG :: 33.422 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 :: 8.800 HA :: 4.521 HB2 :: 1.998 HB3 :: 1.876 HG2 :: 2.196 HG3 :: 2.249 HE21 :: 7.430 HE22 :: 6.755 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 :: 129.060 NE2 :: 111.386 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 0.4 M 0.12 I 0.02 HN Overlap>> 1.E109 1.D155 1.E109 1.D155 C Shift Assignments>> C :: 175.087 CA :: 60.527 CB :: 33.985 CG1 :: 20.300 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 :: 8.419 HA :: 4.165 HB :: 1.853 HG11 :: 0.778 HG12 :: 0.778 HG13 :: 0.778 HG21 :: 0.778 HG22 :: 0.778 HG23 :: 0.778 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 :: 120.926 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>> C 0.2 V 0.2 W 0.11 K 0.1 R 0.07 M 0.07 E 0.06 H 0.04 Q 0.04 P 0.03 I 0.02 C Shift Assignments>> C :: 174.182 CA :: 60.040 CB :: 32.462 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 :: 8.475 HA :: 4.413 HB :: 2.111 HG11 :: 1.048 HG12 :: 1.048 HG13 :: 1.048 HG21 :: 1.048 HG22 :: 1.048 HG23 :: 1.048 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 :: 128.869 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>> P 0.65 C 0.33 S 0.01 C Shift Assignments>> CA :: 63.674 CB :: 32.053 CG :: 27.495 CD :: 52.072 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 :: 4.053 HB2 :: 1.884 HB3 :: 2.284 HG2 :: 2.116 HG3 :: 1.889 HD2 :: 3.892 HD3 :: 3.723 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 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.820 CA :: 45.603 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.583 HA2 :: 3.604 HA3 :: 3.604 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.178 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>> I 0.18 W 0.16 C 0.15 E 0.11 R 0.08 K 0.07 H 0.07 Q 0.06 V 0.04 M 0.01 P 0.01 HN Overlap>> 1.E175 1.E175 C Shift Assignments>> C :: 173.098 CA :: 60.279 CB :: 29.395 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.766 HA :: 4.778 HB2 :: 2.477 HB3 :: 2.105 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 :: 117.381 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>> G 0.77 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 170.234 CA :: 45.310 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.188 HA2 :: 4.139 HA3 :: 3.617 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.169 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: Indeterminable PRTL>> C 0.66 I 0.18 G 0.11 A 0.04 C Shift Assignments>> CA :: 58.420 CB :: 43.004 CG1 :: 27.420 CG2 :: 19.360 CD1 :: 14.880 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 :: 8.653 HA :: 5.058 HB :: 1.501 HG12 :: 1.398 HG13 :: 1.398 HG21 :: 0.716 HG22 :: 0.716 HG23 :: 0.716 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) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.1 HN Overlap>> 1.C177 1.C177 C Shift Assignments>> C :: 172.405 CA :: 55.926 CB :: 66.458 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.962 HA :: 5.660 HB2 :: 4.105 HB3 :: 3.871 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 :: 119.889 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>> R 0.14 E 0.14 W 0.14 H 0.14 C 0.12 Q 0.11 M 0.07 K 0.07 I 0.01 V 0.01 C Shift Assignments>> C :: 172.583 CA :: 56.959 CB :: 30.489 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.839 HA :: 5.048 HB2 :: 3.586 HB3 :: 3.196 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 :: 114.496 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 0.37 K 0.3 R 0.29 M 0.01 G 0.01 C Shift Assignments>> C :: 175.797 CA :: 54.969 CB :: 35.521 CG :: 25.729 CD :: 29.668 CE :: 42.061 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 :: 9.067 HA :: 5.756 HB2 :: 1.584 HB3 :: 1.545 HG2 :: 1.573 HG3 :: 1.392 HD2 :: 1.760 HD3 :: 1.674 HE2 :: 2.874 HE3 :: 2.874 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 :: 117.587 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 0.73 V 0.26 C Shift Assignments>> C :: 174.595 CA :: 59.412 CB :: 35.839 CG1 :: 22.495 CG2 :: 22.718 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 :: 9.124 HA :: 5.376 HB :: 1.965 HG11 :: 1.059 HG12 :: 1.059 HG13 :: 1.059 HG21 :: 1.029 HG22 :: 1.029 HG23 :: 1.029 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 :: 117.412 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 0.66 C 0.27 A 0.05 C Shift Assignments>> C :: 172.741 CA :: 59.243 CB :: 70.259 CG2 :: 18.655 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 :: 8.919 HA :: 5.077 HB :: 4.096 HG21 :: 1.066 HG22 :: 1.066 HG23 :: 1.066 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 :: 117.653 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 0.25 N 0.24 Y 0.14 E 0.11 F 0.08 D 0.06 M 0.03 I 0.01 L 0.01 K 0.01 C Shift Assignments>> C :: 175.080 CA :: 54.819 CB :: 37.553 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 :: 8.808 HA :: 4.769 HB2 :: 3.267 HB3 :: 2.814 HD21 :: 6.870 HD22 :: 7.514 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 :: 119.083 ND2 :: 111.608 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 0.59 C 0.4 C Shift Assignments>> C :: 177.347 CA :: 60.024 CB :: 38.950 CG1 :: 26.620 CG2 :: 19.141 CD1 :: 14.351 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 :: 8.532 HA :: 4.398 HB :: 2.125 HG12 :: 1.189 HG13 :: 1.147 HG21 :: 0.643 HG22 :: 0.643 HG23 :: 0.643 HD11 :: 0.526 HD12 :: 0.526 HD13 :: 0.526 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 :: 107.852 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 0.2 C 0.14 W 0.13 K 0.1 R 0.09 E 0.09 Q 0.08 H 0.07 L 0.01 V 0.01 P 0.01 M 0.01 HN Overlap>> 1.N125 1.N125 1.E109 1.I30 1.E109 1.I30 C Shift Assignments>> C :: 179.405 CA :: 59.881 CB :: 28.464 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 :: 8.318 HA :: 3.828 HB2 :: 2.024 HB3 :: 2.024 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 :: 121.018 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 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 175.486 CA :: 46.134 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.656 HA2 :: 3.843 HA3 :: 3.744 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.327 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 0.49 C 0.24 K 0.22 A 0.02 C Shift Assignments>> C :: 177.512 CA :: 55.262 CB :: 41.841 CG :: 26.936 CD1 :: 23.209 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 :: 7.492 HA :: 4.216 HB2 :: 1.858 HB3 :: 1.485 HG :: 1.711 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 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 :: 118.283 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 0.47 C 0.35 A 0.12 K 0.03 C Shift Assignments>> C :: 176.808 CA :: 54.650 CB :: 41.346 CG :: 25.762 CD1 :: 22.334 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 :: 4.349 HB2 :: 1.638 HB3 :: 1.396 HG :: 1.529 HD11 :: 0.560 HD12 :: 0.560 HD13 :: 0.560 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 :: 115.881 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 0.16 R 0.14 Q 0.13 C 0.12 W 0.12 E 0.12 K 0.08 M 0.08 HN Overlap>> 1.E175 1.Q52 1.E175 1.Q52 C Shift Assignments>> C :: 174.994 CA :: 55.619 CB :: 30.213 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 :: 7.780 HA :: 4.630 HB2 :: 3.158 HB3 :: 2.992 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 :: 117.520 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>> K 0.36 C 0.35 R 0.21 M 0.03 G 0.01 HN Overlap>> 1.I123 1.I123 C Shift Assignments>> C :: 177.280 CA :: 57.004 CB :: 32.489 CG :: 24.660 CD :: 29.261 CE :: 42.429 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 :: 8.074 HA :: 4.145 HB2 :: 1.736 HB3 :: 1.635 HG2 :: 1.281 HG3 :: 1.281 HD2 :: 1.609 HD3 :: 1.609 HE2 :: 2.951 HE3 :: 2.951 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 :: 120.924 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 0.44 C 0.17 D 0.15 Y 0.08 F 0.06 L 0.02 E 0.02 HN Overlap>> 1.N154 1.N154 C Shift Assignments>> C :: 174.903 CA :: 53.320 CB :: 38.480 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 :: 8.231 HA :: 4.490 HB2 :: 2.376 HB3 :: 2.511 HD21 :: 7.286 HD22 :: 6.895 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 :: 117.709 ND2 :: 112.845 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>> H 0.14 Q 0.13 E 0.13 W 0.13 R 0.12 K 0.11 C 0.11 M 0.04 I 0.02 HN Overlap>> 1.F156 1.F156 C Shift Assignments>> C :: 175.834 CA :: 56.881 CB :: 29.655 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.012 HA :: 4.641 HB2 :: 3.213 HB3 :: 3.213 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 :: 120.406 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 0.44 D 0.17 C 0.16 Y 0.08 F 0.06 L 0.03 E 0.01 HN Overlap>> 1.N108 1.N108 C Shift Assignments>> C :: 174.946 CA :: 53.162 CB :: 38.672 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 :: 8.286 HA :: 4.618 HB2 :: 2.670 HB3 :: 2.545 HD21 :: 7.531 HD22 :: 6.860 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 :: 120.042 ND2 :: 112.246 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 0.7 C 0.29 C Shift Assignments>> C :: 176.306 CA :: 61.393 CB :: 38.512 CG1 :: 27.600 CG2 :: 17.297 CD1 :: 12.520 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 :: 7.970 HA :: 4.063 HB :: 1.881 HG12 :: 1.416 HG13 :: 1.154 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 HD11 :: 0.828 HD12 :: 0.828 HD13 :: 0.828 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 :: 120.704 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 0.37 C 0.35 M 0.09 K 0.07 I 0.05 Q 0.04 C Shift Assignments>> C :: 176.369 CA :: 56.806 CB :: 30.272 CG :: 36.348 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 :: 8.423 HA :: 4.228 HB2 :: 2.171 HB3 :: 2.033 HG2 :: 2.253 HG3 :: 2.223 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 :: 123.530 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 0.26 L 0.18 K 0.12 C 0.11 F 0.09 N 0.09 Y 0.08 R 0.02 C Shift Assignments>> C :: 176.325 CA :: 54.608 CB :: 41.014 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 :: 8.219 HA :: 4.524 HB2 :: 2.695 HB3 :: 2.597 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 :: 120.960 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 0.2 C 0.16 Y 0.09 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 175.314 CA :: 53.463 CB :: 38.920 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 :: 8.355 HA :: 4.604 HB2 :: 2.832 HB3 :: 2.671 HD21 :: 6.854 HD22 :: 7.738 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 :: 119.181 ND2 :: 112.020 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 0.4 C 0.18 D 0.15 Y 0.1 F 0.07 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 175.629 CA :: 53.685 CB :: 38.484 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 :: 8.408 HA :: 4.635 HB2 :: 2.813 HB3 :: 2.746 HD21 :: 7.068 HD22 :: 7.692 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 :: 118.368 ND2 :: 113.091 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>> K 0.37 C 0.35 R 0.22 M 0.02 C Shift Assignments>> C :: 176.608 CA :: 56.699 CB :: 32.492 CG :: 24.835 CD :: 28.885 CE :: 42.155 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 :: 8.267 HA :: 4.061 HB2 :: 1.780 HB3 :: 1.895 HG2 :: 1.359 HG3 :: 1.415 HD2 :: 1.637 HD3 :: 1.637 HE2 :: 2.940 HE3 :: 2.940 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 :: 123.879 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 0.43 D 0.17 C 0.16 Y 0.08 F 0.06 L 0.03 E 0.01 HN Overlap>> 1.D152 1.D152 C Shift Assignments>> C :: 175.246 CA :: 53.296 CB :: 38.668 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 :: 8.297 HA :: 4.256 HB2 :: 2.746 HB3 :: 2.587 HD21 :: 6.913 HD22 :: 7.636 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 :: 118.907 ND2 :: 112.695 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 0.66 M 0.28 C 0.02 C Shift Assignments>> C :: 177.887 CA :: 53.373 CB :: 19.084 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.234 HA :: 4.191 HB1 :: 1.391 HB2 :: 1.391 HB3 :: 1.391 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.297 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 :: 174.499 CA :: 59.121 CB :: 63.294 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.222 HA :: 4.310 HB2 :: 3.860 HB3 :: 3.860 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 :: 113.936 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 0.58 C 0.28 R 0.09 G 0.01 A 0.01 HN Overlap>> 1.H40 1.H40 C Shift Assignments>> C :: 177.203 CA :: 55.207 CB :: 42.241 CG :: 27.222 CD1 :: 25.162 CD2 :: 23.472 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 :: 8.080 HA :: 4.345 HB2 :: 1.641 HB3 :: 1.581 HG :: 1.590 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 HD21 :: 0.843 HD22 :: 0.843 HD23 :: 0.843 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 :: 123.268 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 0.69 C 0.24 M 0.03 I 0.02 C Shift Assignments>> C :: 175.817 CA :: 62.320 CB :: 32.658 CG2 :: 20.641 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 :: 7.959 HA :: 4.063 HB :: 2.023 HG11 :: 0.909 HG12 :: 0.909 HG13 :: 0.909 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 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 :: 120.276 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 0.26 C 0.24 K 0.22 E 0.11 M 0.11 R 0.03 C Shift Assignments>> C :: 175.739 CA :: 55.567 CB :: 29.663 CG :: 33.780 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 :: 8.397 HA :: 4.340 HB2 :: 2.047 HB3 :: 1.942 HG2 :: 2.307 HG3 :: 2.307 HE21 :: 7.008 HE22 :: 7.671 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 :: 124.369 NE2 :: 111.194 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 0.67 C 0.32 C Shift Assignments>> C :: 175.817 CA :: 60.897 CB :: 38.634 CG1 :: 27.643 CG2 :: 17.478 CD1 :: 12.853 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 :: 8.259 HA :: 4.124 HB :: 1.828 HG12 :: 1.441 HG13 :: 1.156 HG21 :: 0.795 HG22 :: 0.795 HG23 :: 0.795 HD11 :: 0.825 HD12 :: 0.825 HD13 :: 0.825 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 :: 122.810 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 0.27 L 0.2 K 0.12 C 0.1 N 0.09 F 0.07 Y 0.06 R 0.03 C Shift Assignments>> C :: 176.001 CA :: 54.142 CB :: 41.294 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 :: 8.436 HA :: 4.525 HB2 :: 2.719 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 :: 124.146 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 0.73 M 0.22 C 0.02 C Shift Assignments>> C :: 178.039 CA :: 52.767 CB :: 19.165 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.341 HA :: 4.307 HB1 :: 1.387 HB2 :: 1.387 HB3 :: 1.387 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.054 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 :: 174.659 CA :: 59.314 CB :: 63.530 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.382 HA :: 4.460 HB2 :: 3.910 HB3 :: 3.859 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 :: 114.525 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 0.36 D 0.18 C 0.17 Y 0.1 F 0.08 L 0.04 E 0.01 HN Overlap>> 1.N90 1.N90 C Shift Assignments>> C :: 175.325 CA :: 53.871 CB :: 38.814 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 :: 8.307 HA :: 4.596 HB2 :: 2.817 HB3 :: 2.747 HD21 :: 7.543 HD22 :: 6.847 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 :: 120.139 ND2 :: 112.443 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 0.36 C 0.34 M 0.08 I 0.08 K 0.07 Q 0.04 HN Overlap>> 1.V67 1.E81 1.V67 1.E81 C Shift Assignments>> C :: 176.687 CA :: 57.749 CB :: 30.235 CG :: 36.254 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 :: 8.343 HA :: 4.237 HB2 :: 2.041 HB3 :: 1.933 HG2 :: 2.257 HG3 :: 2.211 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.943 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 0.24 K 0.23 E 0.11 M 0.08 R 0.04 HN Overlap>> 1.V172 1.V172 C Shift Assignments>> C :: 176.234 CA :: 56.123 CB :: 29.444 CG :: 33.780 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 :: 8.409 HA :: 4.337 HB2 :: 1.993 HB3 :: 2.132 HG2 :: 2.363 HG3 :: 2.363 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 :: 120.588 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 :: 174.797 CA :: 58.621 CB :: 63.731 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.327 HA :: 4.363 HB2 :: 3.909 HB3 :: 3.857 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 :: 116.442 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 C Shift Assignments>> C :: 174.974 CA :: 58.324 CB :: 64.198 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.423 HA :: 4.365 HB2 :: 3.910 HB3 :: 3.859 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 :: 117.624 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 0.92 C 0.07 C Shift Assignments>> C :: 174.879 CA :: 61.749 CB :: 69.450 CG2 :: 21.628 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 :: 8.204 HA :: 4.404 HB :: 4.281 HG21 :: 1.199 HG22 :: 1.199 HG23 :: 1.199 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 :: 115.112 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.K51 1.K51 C Shift Assignments>> C :: 174.437 CA :: 58.371 CB :: 63.478 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.301 HA :: 4.461 HB2 :: 3.860 HB3 :: 3.860 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 :: 117.464 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 0.33 Q 0.16 E 0.06 K 0.03 HN Overlap>> 1.A29 1.A29 C Shift Assignments>> C :: 176.093 CA :: 55.381 CB :: 33.376 CG :: 32.136 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 :: 8.217 HA :: 4.353 HB2 :: 2.049 HB3 :: 1.986 HG2 :: 2.555 HG3 :: 2.485 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 :: 121.689 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 0.73 C 0.26 C Shift Assignments>> C :: 176.291 CA :: 61.860 CB :: 38.365 CG1 :: 27.604 CG2 :: 17.548 CD1 :: 12.887 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 :: 8.066 HA :: 4.035 HB :: 1.874 HG12 :: 1.446 HG13 :: 1.156 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 HD11 :: 0.826 HD12 :: 0.826 HD13 :: 0.826 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 :: 122.162 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 0.68 C 0.31 C Shift Assignments>> C :: 176.044 CA :: 61.095 CB :: 38.223 CG1 :: 27.596 CG2 :: 17.338 CD1 :: 12.700 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 :: 8.176 HA :: 4.094 HB :: 1.827 HG12 :: 1.430 HG13 :: 1.156 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 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 :: 124.915 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>> D 0.25 L 0.19 K 0.13 C 0.11 F 0.09 Y 0.08 N 0.08 R 0.03 C Shift Assignments>> C :: 176.489 CA :: 54.730 CB :: 41.125 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 :: 8.318 HA :: 4.515 HB2 :: 2.695 HB3 :: 2.595 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 :: 124.139 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 0.69 M 0.26 C 0.02 HN Overlap>> 1.A34 1.A34 C Shift Assignments>> C :: 178.244 CA :: 53.091 CB :: 18.784 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.259 HA :: 4.264 HB1 :: 1.404 HB2 :: 1.404 HB3 :: 1.404 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.482 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>> Q 0.25 C 0.25 K 0.24 E 0.13 M 0.05 R 0.05 HN Overlap>> 1.S124 1.S124 C Shift Assignments>> C :: 177.157 CA :: 56.509 CB :: 29.080 CG :: 33.954 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 :: 8.302 HA :: 4.225 HB2 :: 2.095 HB3 :: 2.063 HG2 :: 2.389 HG3 :: 2.335 HE21 :: 6.848 HE22 :: 7.578 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 :: 117.925 NE2 :: 112.348 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 0.74 C 0.25 HN Overlap>> 1.K86 1.K86 C Shift Assignments>> C :: 174.981 CA :: 62.030 CB :: 38.282 CG1 :: 27.774 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 :: 8.020 HA :: 4.034 HB :: 1.882 HG12 :: 1.475 HG13 :: 1.154 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 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 :: 120.858 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.Q122 1.Q122 1.N154 1.N154 C Shift Assignments>> C :: 176.934 CA :: 59.149 CB :: 63.436 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.259 HA :: 4.419 HB2 :: 3.827 HB3 :: 3.827 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 :: 117.844 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 0.36 C 0.19 D 0.13 Y 0.11 F 0.08 E 0.03 L 0.02 M 0.01 HN Overlap>> 1.E81 1.I30 1.E81 1.I30 C Shift Assignments>> C :: 176.118 CA :: 54.061 CB :: 38.299 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 :: 8.412 HA :: 4.596 HB2 :: 2.833 HB3 :: 2.735 HD21 :: 6.909 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 :: 121.044 ND2 :: 112.131 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 0.33 C 0.02 C Shift Assignments>> C :: 179.060 CA :: 53.711 CB :: 18.720 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.121 HA :: 4.204 HB1 :: 1.398 HB2 :: 1.398 HB3 :: 1.398 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.501 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 0.45 K 0.27 C 0.25 R 0.01 HN Overlap>> 1.I136 1.I136 C Shift Assignments>> C :: 178.739 CA :: 55.960 CB :: 41.786 CG :: 27.051 CD1 :: 23.455 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 :: 8.122 HA :: 4.254 HB2 :: 1.703 HB3 :: 1.549 HG :: 1.649 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 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 :: 119.445 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 0.32 C 0.18 D 0.16 Y 0.12 F 0.1 L 0.04 E 0.02 I 0.01 HN Overlap>> 1.I27 1.R21 1.I27 1.R21 C Shift Assignments>> C :: 175.129 CA :: 54.242 CB :: 38.665 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 :: 8.245 HA :: 4.705 HB2 :: 2.880 HB3 :: 2.735 HD21 :: 7.560 HD22 :: 7.069 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 :: 118.758 ND2 :: 112.940 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 0.8 M 0.16 C 0.02 HN Overlap>> 1.V153 1.V153 C Shift Assignments>> C :: 177.280 CA :: 52.005 CB :: 19.351 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.806 HA :: 4.374 HB1 :: 1.445 HB2 :: 1.445 HB3 :: 1.445 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.228 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>> K 0.25 C 0.24 Q 0.24 R 0.1 M 0.07 E 0.06 C Shift Assignments>> C :: 175.797 CA :: 56.695 CB :: 28.906 CG :: 33.088 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 :: 7.903 HA :: 3.951 HB2 :: 2.068 HB3 :: 1.705 HG2 :: 1.806 HG3 :: 2.077 HE21 :: 6.689 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 :: 120.927 NE2 :: 112.096 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 0.32 C 0.27 Q 0.22 K 0.1 E 0.05 R 0.01 HN Overlap>> 1.L59 1.L59 C Shift Assignments>> C :: 174.931 CA :: 53.702 CB :: 30.968 CG :: 33.425 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 :: 8.640 HA :: 5.116 HB2 :: 1.870 HB3 :: 1.746 HG2 :: 2.364 HG3 :: 2.000 HE21 :: 7.564 HE22 :: 6.710 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 :: 124.794 NE2 :: 109.812 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 0.19 C 0.16 D 0.14 L 0.12 K 0.07 N 0.04 I 0.03 C Shift Assignments>> C :: 175.352 CA :: 56.614 CB :: 40.291 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 :: 9.203 HA :: 4.954 HB2 :: 2.737 HB3 :: 2.566 HD1 :: 7.039 HD2 :: 7.039 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 :: 123.072 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 0.48 K 0.47 M 0.03 C Shift Assignments>> C :: 176.175 CA :: 56.658 CB :: 33.172 CG :: 25.638 CD :: 29.728 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 :: 9.374 HA :: 4.944 HB2 :: 2.003 HB3 :: 1.860 HG2 :: 1.568 HG3 :: 1.307 HD2 :: 1.579 HD3 :: 1.579 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 :: 125.948 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 0.54 C 0.44 C Shift Assignments>> C :: 174.635 CA :: 61.458 CB :: 34.642 CG1 :: 23.277 CG2 :: 21.364 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 :: 9.217 HA :: 5.025 HB :: 2.170 HG11 :: 0.824 HG12 :: 0.824 HG13 :: 0.824 HG21 :: 0.720 HG22 :: 0.720 HG23 :: 0.720 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 :: 127.337 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>> G 0.38 C 0.32 L 0.23 A 0.06 HN Overlap>> 1.V10 1.V10 C Shift Assignments>> C :: 176.390 CA :: 53.423 CB :: 46.792 CG :: 26.399 CD1 :: 26.086 CD2 :: 23.455 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 :: 8.775 HA :: 5.433 HB2 :: 1.599 HB3 :: 1.163 HG :: 1.523 HD11 :: 0.503 HD12 :: 0.503 HD13 :: 0.503 HD21 :: 0.717 HD22 :: 0.717 HD23 :: 0.717 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 :: 125.508 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 0.53 I 0.43 G 0.02 HN Overlap>> 1.L127 1.L127 C Shift Assignments>> CA :: 59.590 CB :: 41.961 CG2 :: 17.075 CD1 :: 15.590 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 :: 8.141 HA :: 5.470 HB :: 1.640 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 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 :: 119.501 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 0.75 C 0.17 L 0.04 C Shift Assignments>> C :: 170.512 CA :: 46.971 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.163 HA2 :: 4.158 HA3 :: 4.811 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.766 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 0.51 D 0.21 C 0.14 Y 0.04 F 0.03 L 0.03 HN Overlap>> 1.V148 1.V148 C Shift Assignments>> C :: 174.833 CA :: 51.379 CB :: 39.228 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 :: 7.753 HA :: 4.920 HB2 :: 3.718 HB3 :: 3.071 HD21 :: 7.000 HD22 :: 7.480 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 :: 118.547 ND2 :: 109.840 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>> C 0.16 W 0.15 V 0.13 E 0.1 R 0.1 I 0.08 H 0.06 K 0.05 Q 0.04 M 0.04 P 0.04 C Shift Assignments>> C :: 176.909 CA :: 60.268 CB :: 30.925 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 :: 8.616 HA :: 3.703 HB2 :: 1.801 HB3 :: 1.801 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.182 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 0.49 K 0.18 M 0.15 R 0.11 Q 0.03 C Shift Assignments>> C :: 176.885 CA :: 60.097 CB :: 30.354 CG :: 31.235 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 :: 8.518 HA :: 3.966 HB2 :: 2.883(S) HB3 :: 2.799(S) HG2 :: 3.041(S) HG3 :: 3.165(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 :: 115.112 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>> I 0.12 F 0.1 S 0.1 T 0.09 C 0.09 Y 0.09 V 0.09 W 0.07 E 0.04 R 0.04 K 0.03 H 0.02 Q 0.02 M 0.02 P 0.01 HN Overlap>> 1.R165 1.R165 C Shift Assignments>> C :: 178.182 CA :: 60.070 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 :: 7.865 HA :: 3.759 HB2 :: 2.920 HB3 :: 2.920 HD1 :: 6.928 HE3 :: 6.744 HZ2 :: 7.063 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 :: 119.493 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: Indeterminable PRTL>> V 0.67 M 0.31 I 0.01 C Shift Assignments>> CG :: 33.796 CE :: 20.299 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>> HB2 :: 2.347 HB3 :: 2.347 HG2 :: 2.771 HG3 :: 2.649 HE1 :: 1.814 HE2 :: 1.814 HE3 :: 1.814 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.I143 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HD11 :: 0.659 HD12 :: 0.659 HD13 :: 0.659 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) 1.R144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.38 G 0.18 K 0.02 C Shift Assignments>> C :: 177.181 CA :: 58.584 CB :: 30.415 CG :: 27.233 CD :: 44.100 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 :: 8.839 HA :: 4.049 HB2 :: 2.029 HB3 :: 1.907 HG2 :: 1.842 HG3 :: 1.732 HD2 :: 3.268 HD3 :: 3.268 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 :: 122.193 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 0.31 N 0.18 L 0.14 C 0.12 F 0.08 Y 0.07 K 0.06 C Shift Assignments>> C :: 173.646 CA :: 53.803 CB :: 40.546 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 :: 6.999 HA :: 4.393 HB2 :: 2.025 HB3 :: 2.540 HD21 :: 6.992 HD22 :: 6.583 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 :: 114.721 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 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 173.819 CA :: 45.914 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.831 HA2 :: 4.021 HA3 :: 3.678 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.453 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 0.49 C 0.29 R 0.16 K 0.03 C Shift Assignments>> C :: 175.352 CA :: 54.040 CB :: 41.567 CG :: 28.294 CD1 :: 26.209 CD2 :: 24.406 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 :: 7.738 HA :: 4.441 HB2 :: 1.220 HB3 :: 1.220 HG :: 1.406 HD11 :: 0.635 HD12 :: 0.635 HD13 :: 0.635 HD21 :: 0.629 HD22 :: 0.629 HD23 :: 0.629 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 :: 121.529 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 0.65 C 0.34 HN Overlap>> 1.N138 1.N138 C Shift Assignments>> C :: 175.475 CA :: 61.300 CB :: 33.442 CG1 :: 21.043 CG2 :: 21.079 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 :: 7.848 HA :: 3.968 HB :: 1.856 HG11 :: 0.791 HG12 :: 0.791 HG13 :: 0.791 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 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 :: 118.526 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>> C 0.49 I 0.49 C Shift Assignments>> C :: 175.401 CA :: 58.950 CB :: 36.538 CG1 :: 27.046 CG2 :: 17.323 CD1 :: 12.681 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 :: 8.491 HA :: 3.986 HB :: 1.916 HG12 :: 1.315 HG13 :: 1.088 HG21 :: 0.828 HG22 :: 0.828 HG23 :: 0.828 HD11 :: 0.757 HD12 :: 0.757 HD13 :: 0.757 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 :: 126.624 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 0.5 D 0.17 C 0.16 Y 0.06 F 0.05 L 0.02 C Shift Assignments>> C :: 175.278 CA :: 52.489 CB :: 38.667 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 :: 8.744 HA :: 4.646 HB2 :: 3.171 HB3 :: 2.894 HD21 :: 6.961 HD22 :: 7.701 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 :: 126.891 ND2 :: 111.835 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 0.2 D 0.07 I 0.06 N 0.06 E 0.05 L 0.03 C Shift Assignments>> C :: 176.637 CA :: 56.863 CB :: 38.701 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 :: 8.696 HA :: 4.308 HB2 :: 2.750 HB3 :: 2.574 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.781 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 0.24 F 0.21 C 0.21 D 0.1 N 0.06 I 0.05 L 0.05 E 0.03 HN Overlap>> 1.N98 1.N98 C Shift Assignments>> C :: 178.281 CA :: 56.692 CB :: 39.054 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 :: 8.245 HA :: 4.158 HB2 :: 2.518 HB3 :: 2.581 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 :: 118.950 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 HN Overlap>> 1.A129 1.A129 C Shift Assignments>> C :: 178.110 CA :: 66.441 CB :: 31.358 CG1 :: 23.809 CG2 :: 22.906 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 :: 7.911 HA :: 3.552 HB :: 2.115 HG11 :: 1.152 HG12 :: 1.152 HG13 :: 1.152 HG21 :: 0.942 HG22 :: 0.942 HG23 :: 0.942 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 :: 121.223 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 0.26 F 0.23 C 0.21 I 0.07 D 0.07 L 0.04 N 0.03 E 0.03 HN Overlap>> 1.N88 1.S124 1.N88 1.S124 C Shift Assignments>> C :: 178.220 CA :: 57.239 CB :: 39.042 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 :: 8.175 HA :: 4.307 HB2 :: 2.911 HB3 :: 2.708 HD21 :: 6.910 HD22 :: 7.888 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 :: 117.786 ND2 :: 115.258 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>> Y 0.26 F 0.24 C 0.2 D 0.08 I 0.07 L 0.05 N 0.03 E 0.02 K 0.01 HN Overlap>> 1.V67 1.V67 C Shift Assignments>> C :: 178.838 CA :: 57.345 CB :: 39.411 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 :: 8.494 HA :: 4.387 HB2 :: 2.761 HB3 :: 2.578 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 :: 120.955 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>> Y 0.26 F 0.24 I 0.21 C 0.2 E 0.03 L 0.01 D 0.01 HN Overlap>> 1.W89 1.W89 C Shift Assignments>> C :: 176.650 CA :: 59.327 CB :: 38.930 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 :: 7.957 HA :: 4.524 HB2 :: 3.198 HB3 :: 3.198 HD1 :: 7.186 HD2 :: 7.186 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 :: 120.406 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 0.55 M 0.43 I 0.01 HN Overlap>> 1.T61 1.T61 1.K51 1.K51 C Shift Assignments>> C :: 177.898 CA :: 59.625 CB :: 33.215 CG :: 32.841 CE :: 18.235 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 :: 8.421 HA :: 3.865 HB2 :: 2.286 HB3 :: 2.273 HG2 :: 2.840 HG3 :: 2.840 HE1 :: 2.101 HE2 :: 2.101 HE3 :: 2.101 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 :: 117.387 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 :: 176.242 CA :: 66.054 CB :: 68.611 CG2 :: 21.692 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 :: 8.685 HA :: 4.153 HB :: 4.295 HG21 :: 1.258 HG22 :: 1.258 HG23 :: 1.258 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 :: 115.628 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 0.31 E 0.28 K 0.13 I 0.13 Q 0.09 M 0.02 C Shift Assignments>> C :: 178.566 CA :: 59.310 CB :: 29.113 CG :: 35.478 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 :: 7.848 HA :: 3.964 HB2 :: 2.032 HB3 :: 1.823 HG2 :: 2.081 HG3 :: 2.026 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 :: 121.362 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 0.15 V 0.13 R 0.1 E 0.1 I 0.08 H 0.06 K 0.05 M 0.04 Q 0.04 P 0.04 C Shift Assignments>> C :: 178.615 CA :: 60.253 CB :: 30.970 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 :: 7.123 HA :: 4.223 HB2 :: 2.666 HB3 :: 3.002 HD2 :: 6.457 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 :: 115.620 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>> E 0.34 C 0.34 I 0.19 K 0.07 M 0.02 Q 0.01 C Shift Assignments>> C :: 181.632 CA :: 58.803 CB :: 29.282 CG :: 36.603 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 :: 8.591 HA :: 4.510 HB2 :: 2.319 HB3 :: 2.076 HG2 :: 2.564 HG3 :: 2.440 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 :: 121.143 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 0.43 C 0.37 K 0.1 G 0.08 C Shift Assignments>> C :: 177.898 CA :: 58.575 CB :: 30.238 CG :: 28.075 CD :: 43.471 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 :: 8.717 HA :: 4.200 HB2 :: 1.939 HB3 :: 1.939 HG2 :: 1.828 HG3 :: 1.734 HD2 :: 3.165 HD3 :: 3.165 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 :: 120.757 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: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.42 M 0.03 G 0.02 C Shift Assignments>> C :: 176.316 CA :: 55.419 CB :: 32.073 CG :: 28.828 CD :: 25.361 CE :: 42.350 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 :: 7.304 HA :: 4.389 HB2 :: 2.111 HB3 :: 1.803 HG2 :: 1.660 HG3 :: 1.536 HD2 :: 1.431 HD3 :: 1.526 HE2 :: 2.932 HE3 :: 2.932 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 :: 117.331 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 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 174.783 CA :: 45.682 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.031 HA2 :: 4.199 HA3 :: 3.832 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.410 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>> M 0.19 K 0.17 C 0.16 R 0.1 H 0.1 Q 0.08 W 0.08 E 0.06 V 0.01 HN Overlap>> 1.W141 1.W141 C Shift Assignments>> C :: 175.278 CA :: 55.636 CB :: 32.400 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 :: 7.932 HA :: 4.718 HB2 :: 1.632 HB3 :: 1.731 HG2 :: 1.474 HG3 :: 1.474 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 :: 119.478 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 :: 172.632 CA :: 62.082 CB :: 70.352 CG2 :: 21.010 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 :: 8.686 HA :: 4.446 HB :: 3.789 HG21 :: 1.048 HG22 :: 1.048 HG23 :: 1.048 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 :: 116.654 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 0.73 C 0.09 M 0.09 L 0.07 HN Overlap>> 1.A183 1.A183 C Shift Assignments>> C :: 175.105 CA :: 50.103 CB :: 21.379 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.039 HA :: 5.271 HB1 :: 1.277 HB2 :: 1.277 HB3 :: 1.277 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.082 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>> V 0.53 C 0.45 C Shift Assignments>> C :: 174.190 CA :: 60.609 CB :: 34.375 CG1 :: 22.276 CG2 :: 20.270 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 :: 9.091 HA :: 4.169 HB :: 1.900 HG11 :: 0.788 HG12 :: 0.788 HG13 :: 0.788 HG21 :: 0.661 HG22 :: 0.661 HG23 :: 0.661 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 :: 119.816 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 0.38 L 0.25 C 0.23 R 0.11 A 0.02 C Shift Assignments>> C :: 175.327 CA :: 53.806 CB :: 44.624 CG :: 28.018 CD1 :: 23.614 CD2 :: 26.243 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 :: 8.957 HA :: 5.022 HB2 :: 1.870 HB3 :: 1.452 HG :: 1.713 HD11 :: 0.991 HD12 :: 0.991 HD13 :: 0.991 HD21 :: 0.913 HD22 :: 0.913 HD23 :: 0.913 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 :: 124.611 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 0.51 V 0.47 I 0.01 C Shift Assignments>> C :: 174.190 CA :: 60.455 CB :: 35.106 CG1 :: 22.291 CG2 :: 20.526 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 :: 8.388 HA :: 5.017 HB :: 1.649 HG11 :: 0.782 HG12 :: 0.782 HG13 :: 0.782 HG21 :: 0.657 HG22 :: 0.657 HG23 :: 0.657 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 :: 117.151 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 0.33 A 0.27 C 0.23 M 0.08 K 0.03 P 0.01 C Shift Assignments>> C :: 175.698 CA :: 50.149 CB :: 22.965 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.561 HA :: 5.512 HB1 :: 1.164 HB2 :: 1.164 HB3 :: 1.164 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.834 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>> C 0.5 V 0.49 HN Overlap>> 1.Q110 1.Q110 C Shift Assignments>> C :: 176.198 CA :: 60.072 CB :: 34.195 CG1 :: 22.240 CG2 :: 22.475 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 :: 8.436 HA :: 4.924 HB :: 2.055 HG11 :: 0.708 HG12 :: 0.708 HG13 :: 0.708 HG21 :: 0.949 HG22 :: 0.949 HG23 :: 0.949 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 :: 120.696 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>> Y 0.2 F 0.2 C 0.18 D 0.15 L 0.08 N 0.08 I 0.03 K 0.02 E 0.01 C Shift Assignments>> C :: 174.734 CA :: 56.203 CB :: 39.609 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 :: 10.284(S) HA :: 4.287 HB2 :: 2.890 HB3 :: 2.736 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 :: 129.818 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 0.2 C 0.19 F 0.18 D 0.15 N 0.12 L 0.06 I 0.03 E 0.02 C Shift Assignments>> CA :: 55.837 CB :: 39.153 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 :: 9.108 HA :: 3.939 HB2 :: 2.841 HB3 :: 2.841 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 :: 109.050 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 0.43 M 0.29 E 0.22 Q 0.02 HN Overlap>> 1.C71 1.H85 1.C71 1.H85 C Shift Assignments>> C :: 175.793 CA :: 54.646 CB :: 32.400 CG :: 36.063 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 :: 7.697 HA :: 4.603 HB2 :: 2.034 HB3 :: 1.871 HG2 :: 2.239 HG3 :: 2.239 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 :: 117.466 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>> C 0.69 K 0.21 A 0.04 L 0.04 C Shift Assignments>> C :: 176.019 CA :: 56.132 CB :: 41.186 CG :: 22.929 CD1 :: 26.119 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 :: 9.177 HA :: 4.367 HB2 :: 1.824 HB3 :: 1.532 HG :: 1.157 HD11 :: 0.964 HD12 :: 0.964 HD13 :: 0.964 HD21 :: 0.677 HD22 :: 0.677 HD23 :: 0.677 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 :: 128.864 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 0.15 W 0.13 R 0.13 E 0.11 K 0.11 M 0.11 H 0.09 Q 0.06 V 0.05 I 0.01 HN Overlap>> 1.S74 1.S74 C Shift Assignments>> C :: 174.289 CA :: 58.088 CB :: 31.549 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.974 HA :: 5.056 HB2 :: 2.969 HB3 :: 2.735 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.882 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 0.63 L 0.14 C 0.09 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 169.220 CA :: 44.881 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.409 HA2 :: 3.282 HA3 :: 5.353(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.723 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>> G 0.57 C 0.29 L 0.11 C Shift Assignments>> C :: 174.066 CA :: 53.835 CB :: 45.999 CD1 :: 26.976 CD2 :: 25.807 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 :: 8.752 HA :: 5.128 HB2 :: 1.465 HB3 :: 1.347 HD11 :: 0.793 HD12 :: 0.793 HD13 :: 0.793 HD21 :: 0.688 HD22 :: 0.688 HD23 :: 0.688 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 :: 121.945 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 0.62 C 0.37 C Shift Assignments>> C :: 173.695 CA :: 59.557 CB :: 40.282 CG1 :: 27.179 CG2 :: 17.470 CD1 :: 14.231 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 :: 9.407 HA :: 4.690 HB :: 1.614 HG12 :: 1.402 HG21 :: 0.610 HG22 :: 0.610 HG23 :: 0.610 HD11 :: 0.597 HD12 :: 0.597 HD13 :: 0.597 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 :: 125.180 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 0.88 M 0.06 C 0.03 HN Overlap>> 1.Q66 1.Q66 C Shift Assignments>> C :: 176.198 CA :: 49.745 CB :: 19.829 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.826 HA :: 5.094 HB1 :: 0.472(S) HB2 :: 0.472(S) HB3 :: 0.472(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.099 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 0.56 C 0.41 A 0.01 C Shift Assignments>> C :: 173.967 CA :: 59.153 CB :: 40.432 CG1 :: 27.955 CG2 :: 18.788 CD1 :: 13.917 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 :: 9.237 HA :: 4.580 HB :: 1.637 HG12 :: 1.226 HG13 :: 0.979 HG21 :: 0.719 HG22 :: 0.719 HG23 :: 0.719 HD11 :: 0.579 HD12 :: 0.579 HD13 :: 0.579 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 :: 124.525 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>> A 0.48 L 0.22 C 0.16 M 0.09 K 0.01 HN Overlap>> 1.A167 1.A167 C Shift Assignments>> C :: 175.476 CA :: 50.311 CB :: 22.301 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.052 HA :: 4.844 HB1 :: 1.385 HB2 :: 1.385 HB3 :: 1.385 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.149 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>> D 0.25 L 0.22 K 0.15 C 0.1 F 0.07 R 0.06 N 0.06 Y 0.05 C Shift Assignments>> C :: 175.765 CA :: 54.250 CB :: 41.655 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 :: 8.642 HA :: 4.687 HB2 :: 2.648 HB3 :: 2.563 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 :: 120.873 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 0.91 C 0.08 C Shift Assignments>> C :: 179.036 CA :: 62.685 CB :: 71.137 CG2 :: 22.338 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 :: 7.792 HA :: 4.185 HB :: 4.201 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 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 :: 118.223 Ave N Shift Values>> N :: 115.7(5.05) ########################################################################### Overall Results: #Consistent: 179 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 174 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 11 Shift Relative Order (SRO) Results: #Consistent: 185 #Suspicious: 0 C Shift Results: #Consistent: 670 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent:1152 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 188 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T47 CA = 69.279(A), Expected = 62.15, Std = 2.7200, ChiSquare = 8.7684e-03 1.E53 HG3 = 1.596(S), Expected = 2.31, Std = 0.2100, ChiSquare = 6.7386e-04 1.E140 HB2 = 2.883(S), Expected = 2.04, Std = 0.2200, ChiSquare = 1.2720e-04 1.E140 HB3 = 2.799(S), Expected = 2.04, Std = 0.2300, ChiSquare = 9.6685e-04 1.E140 HG2 = 3.041(S), Expected = 2.31, Std = 0.2100, ChiSquare = 4.9963e-04 1.E140 HG3 = 3.165(S), Expected = 2.31, Std = 0.2100, ChiSquare = 4.6726e-05 1.D173 H = 10.284(S), Expected = 8.33, Std = 0.5700, ChiSquare = 6.0789e-04 1.G178 HA3 = 5.353(S), Expected = 3.93, Std = 0.4000, ChiSquare = 3.7440e-04 1.A181 HB1 = 0.472(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.8123e-04 1.A181 HB2 = 0.472(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.8123e-04 1.A181 HB3 = 0.472(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.8123e-04