Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.2 K 0.17 C 0.15 R 0.11 H 0.11 Q 0.1 W 0.07 E 0.05 V 0.01 C Shift Assignments>> C :: 175.5583361 CA :: 55.39895481 CB :: 32.49311938 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.19 D 0.15 R 0.15 F 0.09 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 175.8934754 CA :: 55.69877329 CB :: 42.32046291 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.226059454 HA :: 4.422505988 HB2 :: 2.528014187 HB3 :: 2.52812236 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.7033675 Ave N Shift Values>> N :: 120.65(3.86) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.4 R 0.13 G 0.01 C Shift Assignments>> CA :: 56.67664153 CB :: 33.21328247 CG :: 24.88636932 CD :: 28.99539711 CE :: 42.3159017 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.14873109 HA :: 4.145762634 HB2 :: 1.737745942 HB3 :: 1.738036978 HG2 :: 1.315336979 HG3 :: 1.315336979 HD2 :: 1.552344319 HD3 :: 1.552344319 HE2 :: 2.887028218 HE3 :: 2.887028218 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.1028862 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 E 0.12 I 0.05 M 0.05 C Shift Assignments>> C :: 176.884664 CA :: 58.18343265 CB :: 31.5437328 CG :: 38.5378836 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.29795801 HA :: 4.096686732 HB2 :: 1.83479772 HB3 :: 1.83479772 HG2 :: 2.176096858 HG3 :: 2.176516041 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.5855844 Ave N Shift Values>> N :: 120.67(3.48) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 E 0.2 I 0.07 M 0.05 C Shift Assignments>> C :: 176.3602089 CA :: 58.27855001 CB :: 31.16913517 CG :: 38.13539716 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.35577298 HA :: 4.074234381 HB2 :: 1.881305194 HB3 :: 1.883007235 HG2 :: 2.160228219 HG3 :: 2.161146449 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.4477949 Ave N Shift Values>> N :: 120.67(3.48) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.16 C 0.03 L 0.01 C Shift Assignments>> C :: 178.0140613 CA :: 53.89887156 CB :: 19.47486324 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.179553987 HA :: 4.148988088 HB1 :: 1.259965699 HB2 :: 1.259965699 HB3 :: 1.259965699 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.4902499 Ave N Shift Values>> N :: 123.23(3.54) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.35 K 0.19 C Shift Assignments>> C :: 176.6147695 CA :: 57.92019317 CB :: 34.34697616 CG :: 26.45903526 CD :: 30.42039057 CE :: 42.2197596 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.023948203 HA :: 4.109178162 HB2 :: 1.700499774 HB3 :: 1.700526948 HG2 :: 1.340366043 HG3 :: 1.341019307 HD2 :: 1.57382919 HD3 :: 1.574116579 HE2 :: 2.851268638 HE3 :: 2.851268638 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.1439463 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.06 L 0.06 C 0.05 C Shift Assignments>> C :: 177.6500782 CA :: 53.67087936 CB :: 20.3496 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.100750115 HA :: 4.124890788 HB1 :: 1.262319399 HB2 :: 1.262319399 HB3 :: 1.262319399 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.2903069 Ave N Shift Values>> N :: 123.23(3.54) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.2 F 0.15 Y 0.14 L 0.12 C 0.09 I 0.01 C Shift Assignments>> C :: 175.1686751 CA :: 54.95112618 CB :: 39.70812674 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.241986143 HA :: 4.504653636 HB2 :: 2.67382162 HB3 :: 2.674185728 HD21 :: 6.825724877 HD22 :: 7.511194668 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.8113734 ND2 :: 112.5594404 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.39 L 0.32 C 0.14 V 0.05 M 0.03 T 0.03 C Shift Assignments>> C :: 177.6180455 CA :: 55.15793441 CB :: 21.21326502 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.123953713 HA :: 4.066473304 HB1 :: 1.291043077 HB2 :: 1.291043077 HB3 :: 1.291043077 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.154325 Ave N Shift Values>> N :: 123.23(3.54) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.09 L 0.09 C 0.07 V 0.01 C Shift Assignments>> C :: 175.2669167 CA :: 54.36521867 CB :: 20.37966707 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.974501946 HA :: 4.154316702 HB1 :: 1.226374032 HB2 :: 1.226374032 HB3 :: 1.226374032 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.173519 Ave N Shift Values>> N :: 123.23(3.54) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 L 0.11 C 0.06 M 0.03 C Shift Assignments>> C :: 177.0821518 CA :: 53.16171181 CB :: 20.85561735 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.749987589 HA :: 4.109842815 HB1 :: 1.154531285 HB2 :: 1.154531285 HB3 :: 1.154531285 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.9480719 Ave N Shift Values>> N :: 123.23(3.54) 1.H16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 H 0.28 W 0.21 C Shift Assignments>> C :: 174.4117531 CA :: 56.76515652 CB :: 33.31915993 CD2 :: 119.6654049 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.675140803 HA :: 4.307405111 HB2 :: 1.993927085 HB3 :: 2.49636117 HD2 :: 6.858650225 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.3390015 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 E 0.13 M 0.12 C Shift Assignments>> C :: 174.4559513 CA :: 56.51324479 CB :: 32.61985849 CG :: 38.05757466 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.911867051 HA :: 4.252604592 HB2 :: 1.678712935 HB3 :: 1.678952346 HG2 :: 2.008344788 HG3 :: 2.008821194 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.7149044 Ave N Shift Values>> N :: 120.67(3.48) 1.W18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 W 0.33 H 0.04 C Shift Assignments>> C :: 175.5348864 CA :: 57.81123207 CB :: 33.4294866 CD1 :: 125.8319245 CE3 :: 119.6654049 CZ2 :: 114.6639303 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.861331143 HA :: 4.618920206 HB2 :: 2.856445793 HB3 :: 2.859902992 HD1 :: 6.86329683 HE1 :: 9.984220125 HE3 :: 7.111984045 HZ2 :: 7.1266106 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.0018177 NE1 :: 127.5834034 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 Y 0.35 C 0.17 C Shift Assignments>> C :: 175.2100978 CA :: 58.27998096 CB :: 44.20309853 CD1 :: 133.4196313 CD2 :: 133.4196313 CE1 :: 117.1648386 CE2 :: 117.1648386 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.399307007 HA :: 5.357707836 HB2 :: 2.748050115 HB3 :: 2.915594388 HD1 :: 6.950529692 HD2 :: 6.950529692 HE1 :: 6.535544848 HE2 :: 6.535544848 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.0113708 Ave N Shift Values>> N :: 120.52(4.2) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 I 0.1 V 0.02 C Shift Assignments>> CA :: 61.29761494 CB :: 37.87228072 CG1 :: 20.6918352 CG2 :: 24.42957848 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.10385481 HA :: 5.604775056 HB :: 2.024313818 HG11 :: 0.9365623674 HG12 :: 0.9365623674 HG13 :: 0.9365623674 HG21 :: 1.011684687 HG22 :: 1.011684687 HG23 :: 1.011684687 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.6764767 Ave N Shift Values>> N :: 121.14(4.54) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 L 0.15 C 0.06 M 0.01 C Shift Assignments>> C :: 176.9152566 CA :: 52.39202274 CB :: 21.32883537 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.810563033 HA :: 5.284682598 HB1 :: 1.083832295 HB2 :: 1.083832295 HB3 :: 1.083832295 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.0358085 Ave N Shift Values>> N :: 123.23(3.54) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.45 G 0.01 C Shift Assignments>> C :: 175.9037735 CA :: 62.96867811 CB :: 41.85296286 CG1 :: 28.49368306 CG2 :: 19.13509982 CD1 :: 15.82867745 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.522374525 HA :: 4.090114607 HB :: 1.608545816 HG12 :: 1.467679298 HG13 :: 1.468263175 HG21 :: 0.84606 HG22 :: 0.84606 HG23 :: 0.84606 HD11 :: 0.7647372298 HD12 :: 0.7647372298 HD13 :: 0.7647372298 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.4954084 Ave N Shift Values>> N :: 121.46(4.28) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.2 Y 0.16 L 0.15 D 0.09 C 0.08 R 0.03 I 0.03 C Shift Assignments>> C :: 174.7406863 CA :: 57.56775398 CB :: 41.41171917 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.208004097 HA :: 4.146277475 HB2 :: 2.59014133 HB3 :: 2.818777128 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.8668511 Ave N Shift Values>> N :: 120.65(3.86) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 I 0.32 E 0.16 K 0.01 C Shift Assignments>> C :: 175.2282596 CA :: 58.96248983 CB :: 29.35560311 CG :: 38.16325264 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.612264108 HA :: 3.709360042 HB2 :: 2.069410402 HB3 :: 2.069784043 HG2 :: 2.084497657 HG3 :: 2.084497657 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 111.2091077 Ave N Shift Values>> N :: 120.67(3.48) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.38 K 0.15 G 0.04 C Shift Assignments>> C :: 175.0280323 CA :: 55.68880159 CB :: 35.84392689 CG :: 25.42949601 CD :: 30.17809259 CE :: 43.01264987 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.822992523 HA :: 4.403304781 HB2 :: 1.706177552 HB3 :: 1.707339097 HG2 :: 1.337141163 HG3 :: 1.337390867 HD2 :: 1.593092149 HD3 :: 1.593931855 HE2 :: 2.903226554 HE3 :: 2.903226554 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.462381 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.15 R 0.13 E 0.13 H 0.12 Q 0.08 K 0.07 M 0.06 V 0.03 I 0.01 C Shift Assignments>> CA :: 58.2358616 CB :: 30.84083747 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.311489698 HA :: 4.471635094 HB2 :: 1.718757052 HB3 :: 1.955678747 HG2 :: 2.521939827 HG3 :: 2.521939827 HE21 :: 6.150674534 HE22 :: 6.360245944 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.2985918 NE2 :: 109.7926447 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.09 C Shift Assignments>> C :: 173.0030834 CA :: 61.83666908 CB :: 36.14270145 CG1 :: 24.46488761 CG2 :: 22.76040709 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.289105698 HA :: 4.617312318 HB :: 2.246138725 HG11 :: 0.9742202676 HG12 :: 0.9742202676 HG13 :: 0.9742202676 HG21 :: 1.0138681 HG22 :: 1.0138681 HG23 :: 1.0138681 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.5227 Ave N Shift Values>> N :: 121.14(4.54) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 170.767906 CA :: 44.9879455 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.623204476 HA2 :: 3.681767525 HA3 :: 3.681767525 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9040814 Ave N Shift Values>> N :: 109.67(3.87) 1.P29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.98 A 0.01 C Shift Assignments>> CA :: 62.898836 CB :: 35.70167256 CG :: 24.31202492 CD :: 50.02850464 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.269865787(S) HB2 :: 1.530422391 HB3 :: 1.534258699 HG2 :: 1.719204535 HG3 :: 1.719204535 HD2 :: 3.38361971 HD3 :: 3.38361971 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 F 0.11 C 0.06 Y 0.04 C Shift Assignments>> C :: 175.500566 CA :: 55.93243026 CB :: 45.59713143 CD1 :: 131.6753563 CD2 :: 131.6753563 CE1 :: 131.6753563 CE2 :: 131.6753563 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.813674902 HA :: 5.229905065 HB2 :: 2.599633341 HB3 :: 3.334317268 HD1 :: 7.024180538 HD2 :: 7.024180538 HE1 :: 7.085904534 HE2 :: 7.085904534 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.4098362 Ave N Shift Values>> N :: 120.45(4.18) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.22 L 0.18 F 0.06 C 0.05 Y 0.04 K 0.04 C Shift Assignments>> C :: 176.4604321 CA :: 52.95160746 CB :: 40.87440145 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.147848581 HA :: 5.20697134 HB2 :: 2.870085945 HB3 :: 3.319545537 HD21 :: 6.797779257 HD22 :: 7.546772138 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.889806 ND2 :: 110.7715045 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 175.9944165 CA :: 68.38673755 CB :: 33.32145023 CG2 :: 22.81106046 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.753125468 HA :: 3.358565753 HB :: 2.02992796 HG11 :: 1.063733431 HG12 :: 1.063733431 HG13 :: 1.063733431 HG21 :: 1.063733431 HG22 :: 1.063733431 HG23 :: 1.063733431 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.2477916 Ave N Shift Values>> N :: 121.14(4.54) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.3 I 0.19 K 0.07 Q 0.04 M 0.01 C Shift Assignments>> C :: 178.6286151 CA :: 59.97399401 CB :: 29.31317474 CG :: 36.00577666 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.190650163 HA :: 4.014539389 HB2 :: 1.924728039 HB3 :: 1.924728039 HG2 :: 2.231512236 HG3 :: 2.231512236 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.5991495 Ave N Shift Values>> N :: 120.67(3.48) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.34 R 0.19 G 0.01 C Shift Assignments>> C :: 178.2652205 CA :: 58.75145681 CB :: 33.88702308 CG :: 25.47525807 CD :: 30.06561624 CE :: 42.34243635 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.784128785 HA :: 4.125353023 HB2 :: 1.845384701 HB3 :: 1.845384701 HG2 :: 1.255015341 HG3 :: 1.256037947 HD2 :: 1.520978088 HD3 :: 1.520978088 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.2380014 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 176.8700269 CA :: 69.49687508 CB :: 32.09480601 CG1 :: 23.08588977 CG2 :: 23.08588977 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.70026999 HA :: 3.149652431 HB :: 1.830325053 HG11 :: 0.5044737889 HG12 :: 0.5044737889 HG13 :: 0.5044737889 HG21 :: 0.5044737889 HG22 :: 0.5044737889 HG23 :: 0.5044737889 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.6220939 Ave N Shift Values>> N :: 121.14(4.54) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.29 R 0.14 G 0.02 C Shift Assignments>> C :: 177.1258356 CA :: 61.33613624 CB :: 33.50771807 CG :: 25.87450613 CD :: 29.56199705 CE :: 42.33777225 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.114084176 HA :: 3.597940096 HB2 :: 1.503708665 HB3 :: 1.873514252 HG2 :: 0.9676521055 HG3 :: 0.9676521055 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.5171002 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 F 0.15 C 0.12 G 0.1 L 0.1 Y 0.09 K 0.05 I 0.03 D 0.01 C Shift Assignments>> C :: 177.4814948 CA :: 59.60622066 CB :: 43.43064366 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.493215381 HA :: 4.315994464 HB2 :: 2.696064706 HB3 :: 2.696064706 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.8550284 Ave N Shift Values>> N :: 120.65(3.86) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 C 0.41 L 0.13 C Shift Assignments>> C :: 178.8597859 CA :: 60.33094653 CB :: 44.43692862 CG :: 25.92209598 CD1 :: 23.04312628 CD2 :: 23.04312628 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.916419095 HA :: 3.720125221 HB2 :: 1.921241941 HB3 :: 1.921597044 HD11 :: 0.6894890998 HD12 :: 0.6894890998 HD13 :: 0.6894890998 HD21 :: 0.6894890998 HD22 :: 0.6894890998 HD23 :: 0.6894890998 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.2294373 Ave N Shift Values>> N :: 121.86(3.9) 1.W39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 W 0.4 C Shift Assignments>> C :: 180.135286 CA :: 62.15159074 CB :: 31.13082667 CD1 :: 128.4179856 CE3 :: 120.9157736 CZ2 :: 115.9142989 CZ3 :: 120.9203687 CH2 :: 123.4165109 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.419794714 HA :: 4.044882118 HB2 :: 2.731138882 HB3 :: 3.432926799 HD1 :: 7.437735054 HE1 :: 10.59004579 HE3 :: 6.980667364 HZ2 :: 7.255508282 HZ3 :: 6.417678872 HH2 :: 6.86050933 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.0065255 NE1 :: 131.9777672 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 K 0.22 Y 0.17 C 0.1 L 0.09 R 0.07 I 0.06 D 0.02 C Shift Assignments>> C :: 178.6633845 CA :: 59.10731716 CB :: 41.83791864 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.42297106 HA :: 4.30853438 HB2 :: 2.610420516 HB3 :: 2.861166265 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.7165054 Ave N Shift Values>> N :: 120.65(3.86) 1.R41 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.5 G 0.48 C Shift Assignments>> C :: 176.650661 CA :: 58.31354047 CB :: 32.90496696 CG :: 29.93916228 CD :: 45.42677747 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.845367157 HA :: 4.192205747 HB2 :: 1.666693692 HB3 :: 1.957707735 HG2 :: 1.772611628 HG3 :: 1.772746469 HD2 :: 3.044827974 HD3 :: 3.044860789 HE :: 7.589428163 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.9926537 NE :: 114.9889459(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 174.5921122 CA :: 47.40530869 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.866496749 HA2 :: 3.603703133 HA3 :: 3.897000011 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.3608825 Ave N Shift Values>> N :: 109.67(3.87) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 E 0.04 I 0.03 M 0.02 C Shift Assignments>> C :: 176.3516709 CA :: 59.62905137 CB :: 32.55513396 CG :: 38.71539183 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.273023972 HA :: 4.003509854 HB2 :: 1.742423921 HB3 :: 2.093915862 HG2 :: 2.062863291 HG3 :: 2.063192942 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.2807428 Ave N Shift Values>> N :: 120.67(3.48) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 I 0.06 V 0.03 C Shift Assignments>> C :: 173.3153446 CA :: 59.96634623 CB :: 36.25630236 CG1 :: 20.49537058 CG2 :: 24.89448385 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.91201039 HA :: 4.369536475 HB :: 2.171660303 HG11 :: 0.6477841372 HG12 :: 0.6477841372 HG13 :: 0.6477841372 HG21 :: 0.8543641168 HG22 :: 0.8543641168 HG23 :: 0.8543641168 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 106.7148113 Ave N Shift Values>> N :: 121.14(4.54) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 172.157608 CA :: 47.44885608 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.520687448 HA2 :: 3.762109058 HA3 :: 3.960076485 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.6502101 Ave N Shift Values>> N :: 109.67(3.87) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.91 G 0.07 P 0.01 C Shift Assignments>> C :: 175.8849516 CA :: 67.80601285 CB :: 34.64049628 CG :: 29.73367069 CD :: 49.44532329 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.237793725 HB2 :: 2.026036104 HB3 :: 2.504134097 HG2 :: 2.016344965 HG3 :: 2.079112742 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.23 R 0.15 K 0.11 F 0.05 C 0.04 Y 0.03 N 0.03 G 0.01 C Shift Assignments>> C :: 177.0555631 CA :: 53.81875169 CB :: 42.57771394 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.295279687 HA :: 4.675307834 HB2 :: 2.546826091 HB3 :: 2.720905054 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 111.5660195 Ave N Shift Values>> N :: 120.65(3.86) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.6258884 CA :: 61.67155919 CB :: 63.11671264 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.182864695 HA :: 4.419166815 HB2 :: 3.775183204 HB3 :: 3.775183204 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.4919755 Ave N Shift Values>> N :: 116.28(3.52) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 C 0.37 L 0.2 C Shift Assignments>> C :: 175.5563776 CA :: 55.89469913 CB :: 45.97884684 CG :: 27.85037908 CD1 :: 24.61058989 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.776246878 HA :: 4.604261943 HB2 :: 1.661580756 HB3 :: 1.930394746 HG :: 0.7739429031 HD11 :: 0.6711766686 HD12 :: 0.6711766686 HD13 :: 0.6711766686 HD21 :: 0.6711766686 HD22 :: 0.6711766686 HD23 :: 0.6711766686 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.2229681 Ave N Shift Values>> N :: 121.86(3.9) 1.C50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.27 M 0.09 Y 0.07 K 0.07 Q 0.05 I 0.05 F 0.03 V 0.02 C Shift Assignments>> C :: 171.8539776 CA :: 58.29575219 CB :: 35.67293566 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.631299472 HA :: 6.056270204 HB2 :: 2.812130599 HB3 :: 2.933777152 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.73596 Ave N Shift Values>> N :: 120.17(4.64) 1.W51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 W 0.45 H 0.06 C Shift Assignments>> C :: 172.5085497 CA :: 60.70986386 CB :: 29.99382039 CZ2 :: 114.6639303 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.434102587 HA :: 4.041155531 HB2 :: 3.315845206 HB3 :: 3.315845206 HE1 :: 9.172866981 HZ2 :: 7.191159775 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 117.8264294 NE1 :: 127.0160532 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R52 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Anomalous N Shifts: Anomalous PRTL>> C 0.54 A 0.17 K 0.15 G 0.11 C Shift Assignments>> CA :: 53.49619318 CB :: 32.28203942 CG :: 22.79892036(S) CD :: 42.97181817 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> HA :: 3.479339163 HB2 :: 0.005582278287(S) HB3 :: 0.005582278287(S) HG2 :: -0.9856319088(A) HG3 :: -0.5443721255(S) HD2 :: 0.5505914724(A) HD3 :: 0.5505914724(A) HE :: 6.33146203 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> NE :: 115.2489157(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.62988678 CB :: 64.29299153 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.959647539 HA :: 3.34107949 HB2 :: 3.274126497 HB3 :: 3.274130733 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.2535766 Ave N Shift Values>> N :: 116.28(3.52) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 175.2092572 CA :: 45.93222884 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.55276114 HA2 :: 4.239540056 HA3 :: 4.239730664 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.5035619 Ave N Shift Values>> N :: 109.67(3.87) 1.F55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 Y 0.02 C Shift Assignments>> C :: 177.3516909 CA :: 55.14250197 CB :: 39.35987324 CD1 :: 129.6063832 CD2 :: 129.6063832 CE1 :: 125.8011646(S) CE2 :: 125.8011646(S) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.82596248 HA :: 4.704803253 HB2 :: 2.830584054 HB3 :: 3.264114369 HD1 :: 7.054841958 HD2 :: 7.054841958 HE1 :: 6.331463795 HE2 :: 6.331463795 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.2446807 Ave N Shift Values>> N :: 120.45(4.18) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.6894727 CA :: 61.44757772 CB :: 63.81987294 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.907667868 HA :: 4.372150325 HB2 :: 3.871074393 HB3 :: 3.871144944 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.6340124 Ave N Shift Values>> N :: 116.28(3.52) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.15 C 0.05 C Shift Assignments>> C :: 174.9535521 CA :: 54.59891509 CB :: 46.14009253 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.877848857 HA :: 5.045886533 HB2 :: 2.380900567 HB3 :: 2.685539894 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.8435147 Ave N Shift Values>> N :: 120.65(3.86) 1.W58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.4 H 0.09 C Shift Assignments>> C :: 176.5712521 CA :: 60.32945724 CB :: 31.23084528 CD1 :: 128.3023502 CE3 :: 120.9157736 CZ2 :: 114.6639303 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.122843425 HA :: 5.106280123 HB2 :: 2.99056188 HB3 :: 3.173724933 HD1 :: 7.192681541 HE1 :: 9.265917563 HE3 :: 7.153726939 HZ2 :: 6.665286517 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.582226 NE1 :: 131.0513256 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 G 0.12 I 0.08 C Shift Assignments>> C :: 173.1660462 CA :: 60.5116638 CB :: 43.02112194 CG1 :: 26.97938041 CG2 :: 20.03580605 CD1 :: 16.00336583 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.129535711 HA :: 4.959164483 HB :: 1.779174162 HG12 :: 1.441788354 HG13 :: 1.441861598 HG21 :: 0.8271289008 HG22 :: 0.8271289008 HG23 :: 0.8271289008 HD11 :: 0.4659635192 HD12 :: 0.4659635192 HD13 :: 0.4659635192 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.5810145 Ave N Shift Values>> N :: 121.46(4.28) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.54 C 0.24 P 0.12 I 0.04 C Shift Assignments>> C :: 179.4509281 CA :: 63.24042258 CB :: 34.09108709 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.646421553 HB2 :: 1.809142561 HB3 :: 2.463065682 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 G 0.39 L 0.17 C Shift Assignments>> C :: 179.6859689 CA :: 60.82926222 CB :: 44.31195128 CG :: 26.56677101 CD1 :: 24.94375522 CD2 :: 24.94375522 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.224136749 HA :: 3.997259584 HB2 :: 1.209850207 HB3 :: 1.974340561 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.1032822 Ave N Shift Values>> N :: 121.86(3.9) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.0394998 CA :: 61.93177993 CB :: 63.88788189 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.690422408 HA :: 3.94362298 HB2 :: 3.860659213 HB3 :: 3.861145093 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.0443172 Ave N Shift Values>> N :: 116.28(3.52) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.28 M 0.15 I 0.01 C Shift Assignments>> C :: 175.5961309 CA :: 56.40109171 CB :: 31.74985109 CG :: 37.54445073 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.56336657 HA :: 4.382311564 HB2 :: 1.660365621 HB3 :: 2.30205504 HG2 :: 2.188298402 HG3 :: 2.188298402 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.413786 Ave N Shift Values>> N :: 120.67(3.48) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.3026773 CA :: 62.84270978 CB :: 68.87296269 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.416093769 HA :: 4.102353891 HB :: 4.159610427 HG21 :: 1.262860846 HG22 :: 1.262860846 HG23 :: 1.262860846 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.5376399 Ave N Shift Values>> N :: 115.42(4.75) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.22 M 0.21 C 0.17 A 0.13 T 0.1 I 0.07 L 0.06 C Shift Assignments>> C :: 180.2588425 CA :: 57.35970456 CB :: 20.06052447 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.539911259 HA :: 3.911323169 HB1 :: 1.347264246 HB2 :: 1.347264246 HB3 :: 1.347264246 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 133.6071427 Ave N Shift Values>> N :: 123.23(3.54) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.18 E 0.02 C Shift Assignments>> C :: 176.5937728 CA :: 59.95573135 CB :: 31.11104353 CG :: 39.36907206 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.478752938 HA :: 4.080361852 HB2 :: 2.184248854 HB3 :: 2.18523311 HG2 :: 2.321934284 HG3 :: 2.32215889 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.6761793 Ave N Shift Values>> N :: 120.67(3.48) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.28 G 0.25 R 0.04 C Shift Assignments>> C :: 176.7453351 CA :: 55.49171184 CB :: 44.37723608 CG :: 27.93018102 CD1 :: 24.10444209 CD2 :: 24.87847866 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.10656791 HA :: 4.187502947 HB2 :: 0.9029352397 HB3 :: 1.169720537 HG :: 0.6459357733 HD21 :: -0.1825287705 HD22 :: -0.1825287705 HD23 :: -0.1825287705 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.3849803 Ave N Shift Values>> N :: 121.86(3.9) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 V 0.17 A 0.15 C 0.15 I 0.1 T 0.06 L 0.04 C Shift Assignments>> C :: 179.3076589 CA :: 57.29551074 CB :: 19.75696612 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.616002799 HA :: 3.602246899 HB1 :: 1.244429068 HB2 :: 1.244429068 HB3 :: 1.244429068 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.5820742 Ave N Shift Values>> N :: 123.23(3.54) 1.S69 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 :: 174.9752197 CA :: 61.72669875 CB :: 64.36974124 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.958592869 HA :: 4.024000452 HB2 :: 3.738347982 HB3 :: 3.738347982 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 108.4955653 Ave N Shift Values>> N :: 116.28(3.52) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 174.8847671 CA :: 63.63505501 CB :: 33.6713506 CG1 :: 22.31774825 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.151552496 HA :: 3.964556451 HB :: 1.897817151 HG11 :: 0.5996437647 HG12 :: 0.5996437647 HG13 :: 0.5996437647 HG21 :: 0.6000707797 HG22 :: 0.6000707797 HG23 :: 0.6000707797 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.7942233 Ave N Shift Values>> N :: 121.14(4.54) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.31 K 0.02 A 0.02 C Shift Assignments>> C :: 175.3675302 CA :: 54.78100475 CB :: 40.06234255 CG :: 26.9074857 CD1 :: 23.7427288 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.702307508 HA :: 3.444440407 HB2 :: 0.6888507972 HB3 :: 0.6888507972 HG :: 1.111601846 HD11 :: -0.1482658595 HD12 :: -0.1482658595 HD13 :: -0.1482658595 HD21 :: -0.1481564382 HD22 :: -0.1481564382 HD23 :: -0.1481564382 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.2374246 Ave N Shift Values>> N :: 121.86(3.9) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.06 C 0.02 L 0.01 C Shift Assignments>> C :: 178.3252197 CA :: 52.52959174 CB :: 19.75761593 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.986900613 HA :: 4.364609066 HB1 :: 1.303999889 HB2 :: 1.303999889 HB3 :: 1.303999889 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.1523831 Ave N Shift Values>> N :: 123.23(3.54) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.62 C 0.18 P 0.11 I 0.05 C Shift Assignments>> C :: 176.7181775 CA :: 64.55211695 CB :: 34.17621861 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.470800067 HB2 :: 1.982312052 HB3 :: 2.220118921 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R74 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.5 C 0.31 K 0.09 G 0.05 L 0.02 C Shift Assignments>> C :: 174.2025391 CA :: 55.11766171 CB :: 29.81397563 CG :: 26.72782318 CD :: 43.15482088 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.580528143 HA :: 4.36974672 HB2 :: 1.859767025 HB3 :: 1.859767025 HG2 :: 2.203653408 HG3 :: 2.203653408 HE :: 6.748243942 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.1826993 NE :: 115.0393597(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P75 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 176.0981815 CA :: 63.11531492 CB :: 33.39066321 CG :: 20.73676932(S) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.017422822 HB2 :: 1.970201071 HB3 :: 1.970201071 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.766126 CA :: 58.18768124 CB :: 64.63904975 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.326675945 HA :: 4.335055468 HB2 :: 3.723363492 HB3 :: 3.723363492 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.9314486 Ave N Shift Values>> N :: 116.28(3.52) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.39 G 0.11 K 0.05 C Shift Assignments>> CA :: 55.8694617 CB :: 33.72101295 CG :: 25.97582235 CD :: 30.76455775 CE :: 43.66692244 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.204252611 HA :: 4.483998252 HB2 :: 1.681381724 HB3 :: 1.681381724 HG2 :: 1.356989082 HG3 :: 1.357002783 HD2 :: 1.559303216 HD3 :: 1.559303216 HE2 :: 2.885312677 HE3 :: 2.885312677 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.0102996 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.75 P 0.21 S 0.02 C Shift Assignments>> C :: 176.3745215 CA :: 64.54057483 CB :: 33.2696161 CG :: 29.13438571 CD :: 52.28907311 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.294892979 HB2 :: 2.128246668 HB3 :: 2.128246668 HG2 :: 1.765891587 HG3 :: 1.765891587 HD2 :: 3.671826737 HD3 :: 3.671826737 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 175.6838373 CA :: 63.67654157 CB :: 33.86741306 CG1 :: 22.08655165 CG2 :: 22.08655165 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.200691666 HA :: 3.906890953 HB :: 1.871264703 HG11 :: 0.8220162712 HG12 :: 0.8220162712 HG13 :: 0.8220162712 HG21 :: 0.8220162712 HG22 :: 0.8220162712 HG23 :: 0.8220162712 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.492186 Ave N Shift Values>> N :: 121.14(4.54) 1.I80 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 :: 178.0126162 CA :: 61.40749126 CB :: 39.4746422 CG1 :: 27.99993866 CG2 :: 18.00797799 CD1 :: 13.61604872 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.178102174 HA :: 4.068574456 HB :: 1.683191865 HG12 :: 1.047849775 HG13 :: 1.329307435 HG21 :: 0.7234890448 HG22 :: 0.7234890448 HG23 :: 0.7234890448 HD11 :: 0.6865070694 HD12 :: 0.6865070694 HD13 :: 0.6865070694 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.2281464 Ave N Shift Values>> N :: 121.46(4.28) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 174.9319661 CA :: 63.37438658 CB :: 34.11387473 CG1 :: 22.44927093 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.222661177 HA :: 3.962814946 HB :: 1.88512384 HG11 :: 0.773624306 HG12 :: 0.773624306 HG13 :: 0.773624306 HG21 :: 0.7990711267 HG22 :: 0.7990711267 HG23 :: 0.7990711267 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.3495483 Ave N Shift Values>> N :: 121.14(4.54) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.04 C 0.01 C Shift Assignments>> C :: 178.6112621 CA :: 51.32155921 CB :: 19.37808027 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.325310231 HA :: 4.462499657 HB1 :: 1.226410857 HB2 :: 1.226410857 HB3 :: 1.226410857 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.0308605 Ave N Shift Values>> N :: 123.23(3.54) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.51 P 0.3 C 0.14 I 0.01 C Shift Assignments>> C :: 177.6076998 CA :: 63.85168958 CB :: 33.15152152 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.25933202 HB2 :: 1.776499701 HB3 :: 1.776499701 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 Q 0.19 C 0.19 K 0.15 H 0.06 R 0.06 W 0.03 E 0.01 C Shift Assignments>> C :: 175.8086024 CA :: 53.56539753 CB :: 33.48032634 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.842631384 HA :: 4.294115571 HB2 :: 1.732898684 HB3 :: 1.732898684 HG2 :: 2.114488881 HG3 :: 2.114488881 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.3533354 Ave N Shift Values>> N :: 120.67(3.48) 1.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.46 C 0.3 P 0.07 I 0.05 K 0.02 Q 0.01 W 0.01 M 0.01 E 0.01 C Shift Assignments>> CA :: 62.23800154 CB :: 34.15053711 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.39 V 0.37 C 0.15 W 0.03 I 0.01 C Shift Assignments>> C :: 176.6445406 CA :: 62.93928939 CB :: 32.01747634 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.370949042 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.0424173 Ave N Shift Values>> N :: 121.14(4.54) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.7128072 CA :: 58.83451987 CB :: 64.07051697 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.361720257 HA :: 4.314969734 HB2 :: 3.738830148 HB3 :: 3.738830148 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.8464287 Ave N Shift Values>> N :: 116.28(3.52) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 178.65376 CA :: 46.02735412 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.921292711 HA2 :: 3.642040619 HA3 :: 3.642040619 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.249233 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 82 #Clerical: 0 #Suspicious: 2 #Anomalous: 3 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 84 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 88 #Suspicious: 0 C Shift Results: #Consistent: 337 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 H Shift Results: #Consistent: 514 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 3 N Shift Results: #Consistent: 82 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 3 Error Summary: 1.P29 HA = 3.269865787(S), Expected = 4.40, Std = 0.3300, ChiSquare = 6.1559e-04 1.R41 NE = 114.9889459(A), Expected = 84.63, Std = 1.6800, ChiSquare = 5.4122e-73 1.R52 CG = 22.79892036(S), Expected = 27.21, Std = 1.2000, ChiSquare = 2.3701e-04 1.R52 HB2 = 0.005582278287(S), Expected = 1.79, Std = 0.2700, ChiSquare = 3.8704e-11 1.R52 HB3 = 0.005582278287(S), Expected = 1.76, Std = 0.2800, ChiSquare = 3.7097e-10 1.R52 HG2 = -0.9856319088(A), Expected = 1.57, Std = 0.2700, ChiSquare = 2.9271e-21 1.R52 HG3 = -0.5443721255(S), Expected = 1.54, Std = 0.2900, ChiSquare = 6.5993e-13 1.R52 HD2 = 0.5505914724(A), Expected = 3.12, Std = 0.2400, ChiSquare = 9.5530e-27 1.R52 HD3 = 0.5505914724(A), Expected = 3.10, Std = 0.2600, ChiSquare = 1.0670e-22 1.R52 NE = 115.2489157(A), Expected = 84.63, Std = 1.6800, ChiSquare = 3.2364e-74 1.F55 CE1 = 125.8011646(S), Expected = 130.71, Std = 1.3000, ChiSquare = 1.5935e-04 1.F55 CE2 = 125.8011646(S), Expected = 130.76, Std = 1.1300, ChiSquare = 1.1421e-05 1.R74 NE = 115.0393597(A), Expected = 84.63, Std = 1.6800, ChiSquare = 3.1402e-73 1.P75 Typing: Mistyped 1.P75 CG = 20.73676932(S), Expected = 27.17, Std = 1.0900, ChiSquare = 3.5902e-09